Pm2Tm7Th2
Alexandria ALEXAlex-ID: agm005569403 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_236_spg12
Tm2Th Pm PmTm2
2023-06-05 00:06:06.277429
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005569403).
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 agm005569403
data_agm005569403
_cell_length_a 8.07159
_cell_length_b 10.40805
_cell_length_c 8.07159
_cell_angle_alpha 126.60285
_cell_angle_beta 88.81617
_cell_angle_gamma 53.39715
_cell_volume 354.82861
_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 0.21425 0.69105 0.78575 1.00000
Pm2 Pm 0.78575 0.30895 0.21425 1.00000
Tm1 Tm 0.23664 0.67235 0.23503 1.00000
Tm2 Tm 0.76496 0.67235 0.76336 1.00000
Tm3 Tm 0.65244 0.08060 0.34756 1.00000
Tm4 Tm 0.00000 0.50000 0.00000 1.00000
Tm5 Tm 0.34756 0.91940 0.65244 1.00000
Tm6 Tm 0.76336 0.32765 0.76497 1.00000
Tm7 Tm 0.23504 0.32765 0.23664 1.00000
Th1 Th 0.70631 1.00000 0.70631 1.00000
Th2 Th 0.29369 0.00000 0.29369 1.00000
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