xraylib MCP Server
Server Configuration
Describes the environment variables required to run the server.
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||
Capabilities
Features and capabilities supported by this server
| Capability | Details |
|---|---|
| tools | {
"listChanged": false
} |
| prompts | {
"listChanged": false
} |
| resources | {
"subscribe": false,
"listChanged": false
} |
| experimental | {} |
Tools
Functions exposed to the LLM to take actions
| Name | Description |
|---|---|
| AtomicNumberToSymbol | Convert an atomic number to its element symbol. Args: Z: Atomic number (1-120) |
| SymbolToAtomicNumber | Convert an element symbol to its atomic number. Args: symbol: Element symbol, e.g. "Fe", "Cu", "Au" |
| AtomicWeight | Get the atomic weight of an element. Args: Z: Atomic number (1-120) |
| ElementDensity | Get the density of a pure element. Args: Z: Atomic number (1-120) |
| ElectronConfig | Get the electron configuration for a given shell of an element. Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL", "M5_SHELL" |
| CompoundParser | Parse a chemical compound formula and return its composition. Args: compound: Chemical formula, e.g. "SiO2", "H2O", "Ca5(PO4)3F" |
| Atomic_Factors | Calculate atomic factors f0, f', and f'' for an element. Args: Z: Atomic number (1-120) E: Photon energy in keV q: Momentum transfer in 1/Angstrom debye_factor: Debye temperature factor |
| LineEnergy | Get the energy of an X-ray fluorescence line. Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE", "LA1_LINE" |
| EdgeEnergy | Get the absorption edge energy for a given shell. Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL", "M5_SHELL" |
| FluorYield | Get the fluorescence yield for a given shell. Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" |
| JumpFactor | Get the jump factor for a given absorption edge. Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" |
| RadRate | Get the radiative rate for a given fluorescence line. Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" |
| AtomicLevelWidth | Get the natural width of an atomic level. Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" |
| CS_Total | Calculate the total cross section of an element (cm2/g). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CS_Photo | Calculate the photoionization cross section of an element (cm2/g). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CS_Rayl | Calculate the Rayleigh scattering cross section of an element (cm2/g). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CS_Compt | Calculate the Compton scattering cross section of an element (cm2/g). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CS_KN | Calculate the Klein-Nishina cross section (barn/electron). Args: E: Photon energy in keV |
| CS_Energy | Calculate the mass energy-absorption cross section of an element (cm2/g). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CSb_Total | Calculate the total cross section of an element (barn/atom). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CSb_Photo | Calculate the photoionization cross section of an element (barn/atom). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CSb_Rayl | Calculate the Rayleigh scattering cross section of an element (barn/atom). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CSb_Compt | Calculate the Compton scattering cross section of an element (barn/atom). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CS_FluorLine | Calculate the fluorescence line cross section (cm2/g). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE", "LA1_LINE" E: Photon energy in keV |
| CSb_FluorLine | Calculate the fluorescence line cross section (barn/atom). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE", "LA1_LINE" E: Photon energy in keV |
| CS_FluorShell | Calculate the fluorescence shell cross section (cm2/g). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CSb_FluorShell | Calculate the fluorescence shell cross section (barn/atom). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CS_FluorLine_Kissel | Calculate the fluorescence line cross section using Kissel photoionization (cm2/g). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV |
| CSb_FluorLine_Kissel | Calculate the fluorescence line cross section using Kissel photoionization (barn/atom). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV |
| CS_FluorLine_Kissel_Cascade | Calculate the fluorescence line cross section with full cascade using Kissel (cm2/g). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV |
| CSb_FluorLine_Kissel_Cascade | Calculate the fluorescence line cross section with full cascade using Kissel (barn/atom). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV |
| CS_FluorLine_Kissel_Nonradiative_Cascade | Calculate the fluorescence line cross section with nonradiative cascade using Kissel (cm2/g). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV |
| CSb_FluorLine_Kissel_Nonradiative_Cascade | Calculate the fluorescence line cross section with nonradiative cascade using Kissel (barn/atom). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV |
| CS_FluorLine_Kissel_Radiative_Cascade | Calculate the fluorescence line cross section with radiative cascade using Kissel (cm2/g). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV |
| CSb_FluorLine_Kissel_Radiative_Cascade | Calculate the fluorescence line cross section with radiative cascade using Kissel (barn/atom). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV |
| CS_FluorLine_Kissel_no_Cascade | Calculate the fluorescence line cross section without cascade using Kissel (cm2/g). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV |
| CSb_FluorLine_Kissel_no_Cascade | Calculate the fluorescence line cross section without cascade using Kissel (barn/atom). Args: Z: Atomic number (1-120) line: Line name, e.g. "KL3_LINE", "KA_LINE" E: Photon energy in keV |
| CS_FluorShell_Kissel | Calculate the fluorescence shell cross section using Kissel photoionization (cm2/g). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CSb_FluorShell_Kissel | Calculate the fluorescence shell cross section using Kissel photoionization (barn/atom). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CS_FluorShell_Kissel_Cascade | Calculate the fluorescence shell cross section with full cascade using Kissel (cm2/g). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CSb_FluorShell_Kissel_Cascade | Calculate the fluorescence shell cross section with full cascade using Kissel (barn/atom). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CS_FluorShell_Kissel_Nonradiative_Cascade | Calculate the fluorescence shell cross section with nonradiative cascade using Kissel (cm2/g). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CSb_FluorShell_Kissel_Nonradiative_Cascade | Calculate the fluorescence shell cross section with nonradiative cascade using Kissel (barn/atom). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CS_FluorShell_Kissel_Radiative_Cascade | Calculate the fluorescence shell cross section with radiative cascade using Kissel (cm2/g). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CSb_FluorShell_Kissel_Radiative_Cascade | Calculate the fluorescence shell cross section with radiative cascade using Kissel (barn/atom). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CS_FluorShell_Kissel_no_Cascade | Calculate the fluorescence shell cross section without cascade using Kissel (cm2/g). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CSb_FluorShell_Kissel_no_Cascade | Calculate the fluorescence shell cross section without cascade using Kissel (barn/atom). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CS_Total_Kissel | Calculate the total cross section using Kissel photoionization (cm2/g). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CSb_Total_Kissel | Calculate the total cross section using Kissel photoionization (barn/atom). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CS_Photo_Total | Calculate the total photoionization cross section using Kissel (cm2/g). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CSb_Photo_Total | Calculate the total photoionization cross section using Kissel (barn/atom). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| CS_Photo_Partial | Calculate the partial photoionization cross section for a shell (cm2/g). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| CSb_Photo_Partial | Calculate the partial photoionization cross section for a shell (barn/atom). Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" E: Photon energy in keV |
| DCS_Rayl | Calculate the differential Rayleigh scattering cross section (cm2/g/sr). Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians |
| DCS_Compt | Calculate the differential Compton scattering cross section (cm2/g/sr). Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians |
| DCSb_Rayl | Calculate the differential Rayleigh scattering cross section (barn/atom/sr). Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians |
| DCSb_Compt | Calculate the differential Compton scattering cross section (barn/atom/sr). Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians |
| DCSP_Rayl | Calculate the polarized differential Rayleigh scattering cross section (cm2/g/sr). Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians |
| DCSP_Compt | Calculate the polarized differential Compton scattering cross section (cm2/g/sr). Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians |
| DCSPb_Rayl | Calculate the polarized differential Rayleigh scattering cross section (barn/atom/sr). Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians |
| DCSPb_Compt | Calculate the polarized differential Compton scattering cross section (barn/atom/sr). Args: Z: Atomic number (1-120) E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians |
| FF_Rayl | Calculate the Rayleigh form factor. Args: Z: Atomic number (1-120) q: Momentum transfer in 1/Angstrom |
| SF_Compt | Calculate the Compton incoherent scattering function. Args: Z: Atomic number (1-120) q: Momentum transfer in 1/Angstrom |
| MomentTransf | Calculate the momentum transfer for X-ray scattering. Args: E: Photon energy in keV theta: Scattering angle in radians |
| ComptonEnergy | Calculate the photon energy after Compton scattering. Args: E0: Incident photon energy in keV theta: Scattering angle in radians |
| Fi | Calculate the real part of the anomalous scattering factor (delta f'). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| Fii | Calculate the imaginary part of the anomalous scattering factor (delta f''). Args: Z: Atomic number (1-120) E: Photon energy in keV |
| ComptonProfile | Calculate the Compton profile for an element. Args: Z: Atomic number (1-120) pz: Projection of the electron momentum in atomic units |
| ComptonProfile_Partial | Calculate the partial Compton profile for a shell of an element. Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" pz: Projection of the electron momentum in atomic units |
| AugerRate | Get the Auger rate for a given transition. Args: Z: Atomic number (1-120) auger_trans: Auger transition name, e.g. "K_L1L1_AUGER", "L2_M5M5_AUGER" |
| AugerYield | Get the Auger yield for a given shell. Args: Z: Atomic number (1-120) shell: Shell name, e.g. "K_SHELL", "L1_SHELL" |
| CosKronTransProb | Get the Coster-Kronig transition probability. Args: Z: Atomic number (1-120) trans: Transition name, e.g. "FL13_TRANS", "FM15_TRANS" |
| CS_Total_CP | Calculate the total cross section of a compound (cm2/g). Args: compound: Chemical formula, e.g. "SiO2", "H2O", "CaCO3" E: Photon energy in keV |
| CS_Photo_CP | Calculate the photoionization cross section of a compound (cm2/g). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| CS_Rayl_CP | Calculate the Rayleigh scattering cross section of a compound (cm2/g). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| CS_Compt_CP | Calculate the Compton scattering cross section of a compound (cm2/g). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| CS_Energy_CP | Calculate the mass energy-absorption cross section of a compound (cm2/g). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| CS_Total_Kissel_CP | Calculate the total cross section of a compound using Kissel photoionization (cm2/g). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| CS_Photo_Total_CP | Calculate the total photoionization cross section of a compound using Kissel (cm2/g). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| CSb_Total_CP | Calculate the total cross section of a compound (barn/atom). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| CSb_Photo_CP | Calculate the photoionization cross section of a compound (barn/atom). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| CSb_Rayl_CP | Calculate the Rayleigh scattering cross section of a compound (barn/atom). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| CSb_Compt_CP | Calculate the Compton scattering cross section of a compound (barn/atom). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| CSb_Total_Kissel_CP | Calculate the total cross section of a compound using Kissel photoionization (barn/atom). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| CSb_Photo_Total_CP | Calculate the total photoionization cross section of a compound using Kissel (barn/atom). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV |
| DCS_Rayl_CP | Calculate the differential Rayleigh scattering cross section of a compound (cm2/g/sr). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians |
| DCS_Compt_CP | Calculate the differential Compton scattering cross section of a compound (cm2/g/sr). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians |
| DCSb_Rayl_CP | Calculate the differential Rayleigh scattering cross section of a compound (barn/atom/sr). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians |
| DCSb_Compt_CP | Calculate the differential Compton scattering cross section of a compound (barn/atom/sr). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians |
| DCSP_Rayl_CP | Calculate the polarized differential Rayleigh scattering cross section of a compound (cm2/g/sr). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians |
| DCSP_Compt_CP | Calculate the polarized differential Compton scattering cross section of a compound (cm2/g/sr). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians |
| DCSPb_Rayl_CP | Calculate the polarized differential Rayleigh scattering cross section of a compound (barn/atom/sr). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians |
| DCSPb_Compt_CP | Calculate the polarized differential Compton scattering cross section of a compound (barn/atom/sr). Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV theta: Scattering polar angle in radians phi: Scattering azimuthal angle in radians |
| Refractive_Index_Re | Calculate the real part of the refractive index of a compound. Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV density: Density in g/cm3 |
| Refractive_Index_Im | Calculate the imaginary part of the refractive index of a compound. Args: compound: Chemical formula, e.g. "SiO2", "H2O" E: Photon energy in keV density: Density in g/cm3 |
| GetCompoundDataNISTByName | Get NIST compound data by compound name. Args: name: NIST compound name, e.g. "Water, Liquid", "Air, Dry (near sea level)" |
| GetCompoundDataNISTByIndex | Get NIST compound data by index number. Args: index: NIST compound index (0-based) |
| GetCompoundDataNISTList | Get the list of all available NIST compound names. |
| GetRadioNuclideDataByName | Get radionuclide data by name. Args: name: Radionuclide name, e.g. "55Fe", "241Am", "109Cd" |
| GetRadioNuclideDataByIndex | Get radionuclide data by index number. Args: index: Radionuclide index (0-based) |
Prompts
Interactive templates invoked by user choice
| Name | Description |
|---|---|
No prompts | |
Resources
Contextual data attached and managed by the client
| Name | Description |
|---|---|
No resources | |
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