Th2GeP
Alexandria ALEXAlex-ID: agm005670072 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9452_spg2
Th6Ge5P Th4GeP3
2023-07-13 08:00:29.205720
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005670072).
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 agm005670072
data_agm005670072
_cell_length_a 7.31106
_cell_length_b 7.32752
_cell_length_c 9.45670
_cell_angle_alpha 104.95958
_cell_angle_beta 104.89071
_cell_angle_gamma 109.53976
_cell_volume 427.20872
_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
Th1 Th 0.17882 0.43438 0.37493 1.00000
Th2 Th 0.56519 0.30995 0.12500 1.00000
Th3 Th 0.05981 0.81505 0.12500 1.00000
Th4 Th 0.30389 0.05946 0.62507 1.00000
Th5 Th 0.69611 0.94054 0.37493 1.00000
Th6 Th 0.94019 0.18495 0.87500 1.00000
Th7 Th 0.43481 0.69005 0.87500 1.00000
Th8 Th 0.82118 0.56562 0.62507 1.00000
Ge1 Ge 0.56189 0.81189 0.62377 1.00000
Ge2 Ge 0.68688 0.43688 0.87376 1.00000
Ge3 Ge 0.31312 0.56312 0.12624 1.00000
Ge4 Ge 0.43811 0.18811 0.37623 1.00000
P1 P 0.18827 0.93827 0.87654 1.00000
P2 P 0.93680 0.68680 0.37360 1.00000
P3 P 0.06320 0.31320 0.62640 1.00000
P4 P 0.81173 0.06173 0.12346 1.00000
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