Tm3In5Ni
Alexandria ALEXAlex-ID: agm072334636 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1094_spg42
Tm3In7 Tm3(In2Ni)2 Tm11In9Ni4
2024-09-24 16:58:03.343760
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072334636).
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 agm072334636
data_agm072334636
_cell_length_a 7.47350
_cell_length_b 7.47350
_cell_length_c 5.87344
_cell_angle_alpha 75.05806
_cell_angle_beta 75.05806
_cell_angle_gamma 126.35169
_cell_volume 216.83229
_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 0.19285 0.19285 0.49333 1.00000
Tm2 Tm 0.94620 0.48918 0.45647 1.00000
Tm3 Tm 0.48918 0.94620 0.45647 1.00000
In1 In 0.63943 0.63943 0.60298 1.00000
In2 In 0.08015 0.35569 0.97677 1.00000
In3 In 0.83142 0.55833 0.97752 1.00000
In4 In 0.35569 0.08015 0.97677 1.00000
In5 In 0.55833 0.83142 0.97752 1.00000
Ni1 Ni 0.90624 0.90624 0.08109 1.00000
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