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Mention source of elements database in docstring
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ericpre committed Sep 18, 2024
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76 changes: 48 additions & 28 deletions doc/reference/material.rst
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.. autoattribute:: exspy.material.elements
:annotation:

Database of element properties. The following properties are included:
Database of element properties.

The following properties are included:

.. code::
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└── Physical_properties
└── density_gcm3
Examples:
The X-ray lines energies are taken from Chantler et al. [1]_.

.. code::
The line weight, more precisely the approximate line weight for K,L M
shells are taken from Electron Probe Quantitation (EPQ) library [2]_.

The field ``threshold`` and ``edge`` are taken from Gatan EELS atlas
https://eels.info/atlas, as retrieved in June 2020.

Examples

>>> exspy.material.elements.Fe.General_properties
├── Z = 26
├── atomic_weight = 55.845
└── name = iron
>>> exspy.material.elements.Fe.Physical_properties
└── density (g/cm^3) = 7.874
>>> exspy.material.elements.Fe.Atomic_properties.Xray_lines
├── Ka
│ ├── energy (keV) = 6.404
│ └── weight = 1.0
├── Kb
│ ├── energy (keV) = 7.0568
│ └── weight = 0.1272
├── La
│ ├── energy (keV) = 0.705
│ └── weight = 1.0
├── Lb3
│ ├── energy (keV) = 0.792
│ └── weight = 0.02448
├── Ll
│ ├── energy (keV) = 0.615
│ └── weight = 0.3086
└── Ln
├── energy (keV) = 0.62799
└── weight = 0.12525


References

.. [1] Chantler, C.T., Olsen, K., Dragoset, R.A., Kishore, A.R.,
Kotochigova, S.A., and Zucker, D.S. (2005), X-Ray Form Factor,
Attenuation and Scattering Tables (version 2.1).
https://dx.doi.org/10.18434/T4HS32
>>> exspy.material.elements.Fe.General_properties
├── Z = 26
├── atomic_weight = 55.845
└── name = iron
>>> exspy.material.elements.Fe.Physical_properties
└── density (g/cm^3) = 7.874
>>> exspy.material.elements.Fe.Atomic_properties.Xray_lines
├── Ka
│ ├── energy (keV) = 6.404
│ └── weight = 1.0
├── Kb
│ ├── energy (keV) = 7.0568
│ └── weight = 0.1272
├── La
│ ├── energy (keV) = 0.705
│ └── weight = 1.0
├── Lb3
│ ├── energy (keV) = 0.792
│ └── weight = 0.02448
├── Ll
│ ├── energy (keV) = 0.615
│ └── weight = 0.3086
└── Ln
├── energy (keV) = 0.62799
└── weight = 0.12525
.. [2] Ritchie, N. EPQ is the Electron Probe Quantification library
- the basis for DTSA-II.
https://github.com/usnistgov/EPQ
20 changes: 20 additions & 0 deletions exspy/_misc/elements.py
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└── Physical_properties
└── density_gcm3
The X-ray lines energies are taken from Chantler et al. [1]_.
The line weight, more precisely the approximate line weight for K,L M
shells are taken from Electron Probe Quantitation (EPQ) library [2]_.
The field ``threshold`` and ``edge`` are taken from Gatan EELS atlas
https://eels.info/atlas, as retrieved in June 2020.
Examples
--------
>>> exspy.material.elements.Fe.General_properties
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└── Ln
├── energy (keV) = 0.62799
└── weight = 0.12525
References
----------
.. [1] Chantler, C.T., Olsen, K., Dragoset, R.A., Kishore, A.R.,
Kotochigova, S.A., and Zucker, D.S. (2005), X-Ray Form Factor,
Attenuation and Scattering Tables (version 2.1).
https://dx.doi.org/10.18434/T4HS32
.. [2] Ritchie, N. EPQ is the Electron Probe Quantification library
- the basis for DTSA-II.
https://github.com/usnistgov/EPQ
"""

# read dictionary of atomic numbers from eXSpy, and add the elements that
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