Tm8Zn4Ni3Ir
Alexandria ALEXAlex-ID: agm048337086 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Tm2ZnNi2 Tm5Ir3 Tm6Zn5Ir TmNi
2025-03-12 02:22:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048337086).
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 agm048337086
data_agm048337086
_cell_length_a 6.95737
_cell_length_b 7.34661
_cell_length_c 7.22814
_cell_angle_alpha 75.20082
_cell_angle_beta 76.11076
_cell_angle_gamma 74.60872
_cell_volume 338.45493
_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
Tm1 Tm 0.83720 0.74352 0.80005 1.00000
Tm2 Tm 0.36862 0.60302 0.83271 1.00000
Tm3 Tm 0.88921 0.61127 0.27852 1.00000
Tm4 Tm 0.83591 0.24389 0.80067 1.00000
Tm5 Tm 0.35445 0.75257 0.25298 1.00000
Tm6 Tm 0.36877 0.10119 0.83147 1.00000
Tm7 Tm 0.88838 0.10857 0.27980 1.00000
Tm8 Tm 0.35488 0.24912 0.25062 1.00000
Zn1 Zn 0.16109 0.96651 0.58884 1.00000
Zn2 Zn 0.56489 0.88845 0.49338 1.00000
Zn3 Zn 0.16108 0.46433 0.58862 1.00000
Zn4 Zn 0.56230 0.38553 0.49794 1.00000
Ni1 Ni 0.66113 0.96121 0.10152 1.00000
Ni2 Ni 0.06424 0.89309 0.98127 1.00000
Ni3 Ni 0.07402 0.38684 0.97789 1.00000
Ir1 Ir 0.65371 0.46608 0.09489 1.00000
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