Th6AsPd8
Alexandria ALEXAlex-ID: agm072805065 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_1162_spg2
Th3Pd4 ThAs Th3Pd5
2024-10-05 09:43:53.976825
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072805065).
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 agm072805065
data_agm072805065
_cell_length_a 5.71739
_cell_length_b 5.73942
_cell_length_c 10.72743
_cell_angle_alpha 82.32672
_cell_angle_beta 83.10312
_cell_angle_gamma 88.80823
_cell_volume 346.33485
_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 0.22450 0.22130 0.50153 1.00000
Th2 Th 0.55700 0.07049 0.16350 1.00000
Th3 Th 0.09966 0.57281 0.16222 1.00000
Th4 Th 0.76677 0.76229 0.49724 1.00000
Th5 Th 0.43258 0.92044 0.82689 1.00000
Th6 Th 0.88864 0.40938 0.82675 1.00000
As1 As 0.06780 0.07395 0.03539 1.00000
Pd1 Pd 0.02143 0.07297 0.28427 1.00000
Pd2 Pd 0.96217 0.91482 0.72299 1.00000
Pd3 Pd 0.62077 0.61228 0.07686 1.00000
Pd4 Pd 0.32411 0.58687 0.65991 1.00000
Pd5 Pd 0.68798 0.25162 0.60102 1.00000
Pd6 Pd 0.38028 0.39397 0.91595 1.00000
Pd7 Pd 0.66278 0.40382 0.33400 1.00000
Pd8 Pd 0.30352 0.73299 0.39150 1.00000
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