TbHo3Ir
Alexandria ALEXAlex-ID: agm003730833 · Space group: Pmn2_1 (#31)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1645_spg31
Ho3Ir Tb
2022-04-18 01:42:58.978786
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003730833).
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 agm003730833
data_agm003730833
_cell_length_a 6.15890
_cell_length_b 6.51094
_cell_length_c 7.58771
_cell_angle_alpha 90.00887
_cell_angle_beta 90.00014
_cell_angle_gamma 89.99881
_cell_volume 304.26839
_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
Tb1 Tb 0.42891 0.32755 0.70088 1.00000
Tb2 Tb 0.92889 0.02522 0.20066 1.00000
Ho1 Ho 0.42171 0.32985 0.20088 1.00000
Ho2 Ho 0.42600 0.86264 0.95132 1.00000
Ho3 Ho 0.92590 0.49015 0.45138 1.00000
Ho4 Ho 0.92175 0.02295 0.70066 1.00000
Ho5 Ho 0.92598 0.49015 0.95022 1.00000
Ho6 Ho 0.42592 0.86264 0.45018 1.00000
Ir1 Ir 0.17560 0.67809 0.70077 1.00000
Ir2 Ir 0.67559 0.67467 0.20077 1.00000
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