Ho4TeRu
Alexandria ALEXAlex-ID: agm005802226 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2635_spg62
Ho7(TeRu)2 Ho3Ru Ho6Te2Ru
2023-07-31 06:24:29.156483
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802226).
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 agm005802226
data_agm005802226
_cell_length_a 4.00263
_cell_length_b 8.07967
_cell_length_c 19.37107
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 626.45945
_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 0.75000 0.86285 0.64365 1.00000
Ho2 Ho 0.25000 0.13715 0.35635 1.00000
Ho3 Ho 0.25000 0.63715 0.14365 1.00000
Ho4 Ho 0.75000 0.36285 0.85635 1.00000
Ho5 Ho 0.75000 0.85824 0.45351 1.00000
Ho6 Ho 0.25000 0.14176 0.54649 1.00000
Ho7 Ho 0.25000 0.64176 0.95351 1.00000
Ho8 Ho 0.75000 0.35824 0.04649 1.00000
Ho9 Ho 0.75000 0.00270 0.93242 1.00000
Ho10 Ho 0.25000 0.99730 0.06758 1.00000
Ho11 Ho 0.25000 0.49730 0.43242 1.00000
Ho12 Ho 0.75000 0.50270 0.56758 1.00000
Ho13 Ho 0.75000 0.95252 0.21400 1.00000
Ho14 Ho 0.25000 0.04748 0.78600 1.00000
Ho15 Ho 0.25000 0.54748 0.71400 1.00000
Ho16 Ho 0.75000 0.45252 0.28600 1.00000
Te1 Te 0.75000 0.74504 0.80881 1.00000
Te2 Te 0.25000 0.25496 0.19119 1.00000
Te3 Te 0.25000 0.75496 0.30881 1.00000
Te4 Te 0.75000 0.24504 0.69119 1.00000
Ru1 Ru 0.75000 0.24452 0.44953 1.00000
Ru2 Ru 0.25000 0.75548 0.55047 1.00000
Ru3 Ru 0.25000 0.25548 0.94953 1.00000
Ru4 Ru 0.75000 0.74452 0.05047 1.00000
