Pm4TcTe
Alexandria ALEXAlex-ID: agm005806347 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
Pm3Te2 PmTc2 Pm
2023-07-31 13:15:34.880675
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806347).
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
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# CIF generated by HEAS from Alexandria entry agm005806347
data_agm005806347
_cell_length_a 6.49097
_cell_length_b 7.96711
_cell_length_c 7.96713
_cell_angle_alpha 113.48693
_cell_angle_beta 99.24060
_cell_angle_gamma 99.24048
_cell_volume 361.31587
_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 0.90378 0.64316 0.79336 1.00000
Pm2 Pm 0.05000 0.93467 0.27628 1.00000
Pm3 Pm 0.59622 0.20664 0.35685 1.00000
Pm4 Pm 0.45000 0.72372 0.06533 1.00000
Pm5 Pm 0.55000 0.27628 0.93467 1.00000
Pm6 Pm 0.40378 0.79336 0.64316 1.00000
Pm7 Pm 0.95000 0.06533 0.72372 1.00000
Pm8 Pm 0.09622 0.35685 0.20664 1.00000
Tc1 Tc 0.24999 0.00078 0.99922 1.00000
Tc2 Tc 0.75001 0.99922 0.00078 1.00000
Te1 Te 0.75000 0.62200 0.37800 1.00000
Te2 Te 0.25000 0.37800 0.62200 1.00000
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