Ho2TmZr
Alexandria ALEXAlex-ID: agm003624419 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_980_spg123
TmZr5 Ho7Tm2 HoTm2
2022-04-30 01:30:56.262831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003624419).
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 agm003624419
data_agm003624419
_cell_length_a 3.41790
_cell_length_b 6.82307
_cell_length_c 10.30597
_cell_angle_alpha 89.99769
_cell_angle_beta 109.34724
_cell_angle_gamma 90.00346
_cell_volume 226.76868
_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 0.24474 0.66876 0.83607 1.00000
Ho2 Ho 0.71476 0.16870 0.30553 1.00000
Ho3 Ho 0.71545 0.66868 0.30567 1.00000
Ho4 Ho 0.24498 0.16875 0.83622 1.00000
Tm1 Tm 0.47950 0.91884 0.57087 1.00000
Tm2 Tm 0.48002 0.41868 0.57089 1.00000
Zr1 Zr 0.98025 0.91862 0.07087 1.00000
Zr2 Zr 0.97997 0.41882 0.07086 1.00000
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