Ho4Tm3ThP8
Alexandria ALEXAlex-ID: agm045779385 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Tm5ThP6 HoTm3P4 Ho5ThP6
2025-03-09 05:10:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045779385).
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 agm045779385
data_agm045779385
_cell_length_a 7.99473
_cell_length_b 7.99473
_cell_length_c 7.99473
_cell_angle_alpha 59.97125
_cell_angle_beta 59.97125
_cell_angle_gamma 59.97125
_cell_volume 361.08860
_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
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.00000 0.50000 0.00000 1.00000
Ho3 Ho 0.50000 0.00000 0.00000 1.00000
Ho4 Ho 0.00000 0.00000 0.50000 1.00000
Tm1 Tm 0.00000 0.50000 0.50000 1.00000
Tm2 Tm 0.50000 0.50000 0.00000 1.00000
Tm3 Tm 0.50000 0.00000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
P1 P 0.25271 0.25271 0.74561 1.00000
P2 P 0.74561 0.25271 0.25271 1.00000
P3 P 0.25084 0.25084 0.25084 1.00000
P4 P 0.25271 0.74561 0.25271 1.00000
P5 P 0.74729 0.25439 0.74729 1.00000
P6 P 0.74916 0.74916 0.74916 1.00000
P7 P 0.25439 0.74729 0.74729 1.00000
P8 P 0.74729 0.74729 0.25439 1.00000
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