Pm3ThC2
Alexandria ALEXAlex-ID: agm005692269 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_993_spg12
Pm2ThC2 Pm
2023-08-07 08:58:12.666875
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692269).
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 agm005692269
data_agm005692269
_cell_length_a 3.67074
_cell_length_b 8.62657
_cell_length_c 9.98113
_cell_angle_alpha 89.68083
_cell_angle_beta 79.40394
_cell_angle_gamma 77.71601
_cell_volume 303.37368
_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 0.06083 0.07709 0.80126 1.00000
Pm2 Pm 0.93917 0.92291 0.19874 1.00000
Pm3 Pm 0.69214 0.66585 0.94988 1.00000
Pm4 Pm 0.30786 0.33415 0.05012 1.00000
Pm5 Pm 0.80864 0.83406 0.54866 1.00000
Pm6 Pm 0.19136 0.16594 0.45134 1.00000
Th1 Th 0.44292 0.41325 0.70090 1.00000
Th2 Th 0.55708 0.58675 0.29910 1.00000
C1 C 0.87912 0.37446 0.86729 1.00000
C2 C 0.12088 0.62554 0.13271 1.00000
C3 C 0.62209 0.12748 0.62834 1.00000
C4 C 0.37791 0.87252 0.37166 1.00000
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