Tm3Sc7Ni4
Alexandria ALEXAlex-ID: agm005699697 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_35_spg12
Sc3Ni Sc2Ni Tm3Ni
2023-06-29 18:22:17.677057
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005699697).
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 agm005699697
data_agm005699697
_cell_length_a 3.55867
_cell_length_b 9.22321
_cell_length_c 9.73929
_cell_angle_alpha 72.81406
_cell_angle_beta 79.47314
_cell_angle_gamma 78.87681
_cell_volume 296.95065
_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 0.31516 0.19532 0.17436 1.00000
Tm2 Tm 0.68484 0.80468 0.82564 1.00000
Tm3 Tm 0.00000 0.50000 0.50000 1.00000
Sc1 Sc 0.31521 0.84101 0.52856 1.00000
Sc2 Sc 0.50487 0.22053 0.76973 1.00000
Sc3 Sc 0.83664 0.43351 0.89321 1.00000
Sc4 Sc 0.68479 0.15899 0.47144 1.00000
Sc5 Sc 0.16336 0.56649 0.10679 1.00000
Sc6 Sc 0.00000 0.00000 0.00000 1.00000
Sc7 Sc 0.49513 0.77947 0.23027 1.00000
Ni1 Ni 0.65009 0.42051 0.27932 1.00000
Ni2 Ni 0.34991 0.57949 0.72068 1.00000
Ni3 Ni 0.86983 0.94304 0.31731 1.00000
Ni4 Ni 0.13017 0.05696 0.68269 1.00000
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