Pm2ThP3
Alexandria ALEXAlex-ID: agm021237266 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_417_spg8
Pm2ThP3
2024-12-09 09:26:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021237266).
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 agm021237266
data_agm021237266
_cell_length_a 7.17205
_cell_length_b 7.17205
_cell_length_c 7.15312
_cell_angle_alpha 80.39968
_cell_angle_beta 99.60032
_cell_angle_gamma 59.94723
_cell_volume 300.21114
_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
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.00000 0.00000 0.00000 1.00000
Pm3 Pm 0.83404 0.83404 0.50000 1.00000
Pm4 Pm 0.16596 0.16596 0.50000 1.00000
Th1 Th 0.66681 0.66681 0.00000 1.00000
Th2 Th 0.33319 0.33319 0.00000 1.00000
P1 P 0.74752 0.25248 0.24836 1.00000
P2 P 0.25248 0.74752 0.75164 1.00000
P3 P 0.08275 0.58215 0.24806 1.00000
P4 P 0.41785 0.91725 0.24806 1.00000
P5 P 0.58215 0.08275 0.75194 1.00000
P6 P 0.91725 0.41785 0.75194 1.00000
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