Er3Tm(ScSb3)2
Alexandria ALEXAlex-ID: agm047604530 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Er3TmSb4 ScSb
2025-02-03 02:40:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047604530).
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 agm047604530
data_agm047604530
_cell_length_a 7.43349
_cell_length_b 7.43349
_cell_length_c 7.42375
_cell_angle_alpha 80.40959
_cell_angle_beta 99.59041
_cell_angle_gamma 59.98122
_cell_volume 334.87794
_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
Er1 Er 0.16406 0.16406 0.50000 1.00000
Er2 Er 0.83594 0.83594 0.50000 1.00000
Er3 Er 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.33239 0.33239 0.00000 1.00000
Sc2 Sc 0.66761 0.66761 0.00000 1.00000
Sb1 Sb 0.42043 0.91910 0.24226 1.00000
Sb2 Sb 0.26021 0.73979 0.76060 1.00000
Sb3 Sb 0.57957 0.08090 0.75774 1.00000
Sb4 Sb 0.08090 0.57957 0.24226 1.00000
Sb5 Sb 0.73979 0.26021 0.23940 1.00000
Sb6 Sb 0.91910 0.42043 0.75774 1.00000
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