Ca(LaPm)3
Alexandria ALEXAlex-ID: agm005877008 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_693_spg2
LaPm Ca
2023-08-04 22:24:50.250136
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877008).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005877008
data_agm005877008
_cell_length_a 9.13408
_cell_length_b 8.77066
_cell_length_c 9.28302
_cell_angle_alpha 61.52760
_cell_angle_beta 58.36034
_cell_angle_gamma 61.20659
_cell_volume 529.24838
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1 Ca 0.62398 0.58590 0.03555 1.00000
Ca2 Ca 0.37602 0.41410 0.96445 1.00000
La1 La 0.24797 0.36222 0.45031 1.00000
La2 La 0.93564 0.24788 0.35400 1.00000
La3 La 0.42365 0.92997 0.27647 1.00000
La4 La 0.57635 0.07003 0.72353 1.00000
La5 La 0.06436 0.75212 0.64600 1.00000
La6 La 0.75203 0.63778 0.54969 1.00000
Pm1 Pm 0.29375 0.90236 0.75186 1.00000
Pm2 Pm 0.87011 0.15977 0.78495 1.00000
Pm3 Pm 0.07909 0.27619 0.91686 1.00000
Pm4 Pm 0.92091 0.72381 0.08314 1.00000
Pm5 Pm 0.12989 0.84023 0.21505 1.00000
Pm6 Pm 0.70625 0.09764 0.24814 1.00000
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