LaPrP2
Alexandria ALEXAlex-ID: agm005668019 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9452_spg2
LaPr5P6 La5PrP6
2023-07-13 07:43:21.827034
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668019).
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 agm005668019
data_agm005668019
_cell_length_a 7.34472
_cell_length_b 7.34254
_cell_length_c 9.48312
_cell_angle_alpha 104.97398
_cell_angle_beta 104.98309
_cell_angle_gamma 109.41983
_cell_volume 431.35925
_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
La1 La 0.93753 0.18753 0.87506 1.00000
La2 La 0.06247 0.81247 0.12494 1.00000
La3 La 0.18750 0.43750 0.37500 1.00000
La4 La 0.81250 0.56250 0.62500 1.00000
Pr1 Pr 0.31249 0.06249 0.62499 1.00000
Pr2 Pr 0.56247 0.31247 0.12495 1.00000
Pr3 Pr 0.68751 0.93751 0.37501 1.00000
Pr4 Pr 0.43753 0.68753 0.87505 1.00000
P1 P 0.68488 0.43657 0.87496 1.00000
P2 P 0.19007 0.93839 0.87496 1.00000
P3 P 0.31512 0.56343 0.12504 1.00000
P4 P 0.80993 0.06161 0.12504 1.00000
P5 P 0.93663 0.68832 0.37493 1.00000
P6 P 0.56171 0.81339 0.62507 1.00000
P7 P 0.06337 0.31168 0.62507 1.00000
P8 P 0.43829 0.18661 0.37493 1.00000
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