Ca3Ho5Te8
Alexandria ALEXAlex-ID: agm008977451 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C8_3_spg166
HoTe CaTe
2024-05-10 23:42:43.057559
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008977451).
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 agm008977451
data_agm008977451
_cell_length_a 8.81016
_cell_length_b 8.81016
_cell_length_c 8.81016
_cell_angle_alpha 59.52912
_cell_angle_beta 59.52912
_cell_angle_gamma 59.52912
_cell_volume 478.36755
_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
Ca1 Ca 0.00000 0.00000 0.50000 1.00000
Ca2 Ca 0.50000 0.00000 0.00000 1.00000
Ca3 Ca 0.00000 0.50000 0.00000 1.00000
Ho1 Ho 0.50000 0.00000 0.50000 1.00000
Ho2 Ho 0.00000 0.50000 0.50000 1.00000
Ho3 Ho 0.00000 0.00000 0.00000 1.00000
Ho4 Ho 0.50000 0.50000 0.00000 1.00000
Ho5 Ho 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.74669 0.24995 0.24995 1.00000
Te2 Te 0.24995 0.74669 0.24995 1.00000
Te3 Te 0.24995 0.24995 0.74669 1.00000
Te4 Te 0.74800 0.74800 0.74800 1.00000
Te5 Te 0.25331 0.75005 0.75005 1.00000
Te6 Te 0.75005 0.25331 0.75005 1.00000
Te7 Te 0.75005 0.75005 0.25331 1.00000
Te8 Te 0.25200 0.25200 0.25200 1.00000
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