Pm3TmC2
Alexandria ALEXAlex-ID: agm005692148 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_993_spg12
Tm2C Pm2C
2023-08-07 08:37:23.417879
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692148).
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 agm005692148
data_agm005692148
_cell_length_a 3.63595
_cell_length_b 8.48313
_cell_length_c 9.92524
_cell_angle_alpha 89.42842
_cell_angle_beta 79.44572
_cell_angle_gamma 77.62524
_cell_volume 293.82848
_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 0.05920 0.08440 0.79719 1.00000
Pm2 Pm 0.94080 0.91560 0.20281 1.00000
Pm3 Pm 0.68908 0.66916 0.95268 1.00000
Pm4 Pm 0.31092 0.33084 0.04732 1.00000
Pm5 Pm 0.81013 0.82843 0.55132 1.00000
Pm6 Pm 0.18987 0.17157 0.44868 1.00000
Tm1 Tm 0.44141 0.41339 0.70380 1.00000
Tm2 Tm 0.55859 0.58661 0.29620 1.00000
C1 C 0.87624 0.38077 0.86676 1.00000
C2 C 0.12376 0.61923 0.13324 1.00000
C3 C 0.62221 0.13205 0.62353 1.00000
C4 C 0.37779 0.86795 0.37647 1.00000
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