ErTm3(ThSb3)2
Alexandria ALEXAlex-ID: agm034305350 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
Tm2ThSb3 Er2TmThSb4 ThSb
2025-02-03 02:28:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034305350).
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 agm034305350
data_agm034305350
_cell_length_a 9.81881
_cell_length_b 9.81881
_cell_length_c 8.76367
_cell_angle_alpha 77.25632
_cell_angle_beta 102.74368
_cell_angle_gamma 153.99354
_cell_volume 360.84525
_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 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Tm2 Tm 0.83173 0.16827 0.16544 1.00000
Tm3 Tm 0.16827 0.83173 0.83456 1.00000
Th1 Th 0.16482 0.83518 0.33099 1.00000
Th2 Th 0.83518 0.16482 0.66901 1.00000
Sb1 Sb 0.33535 0.66465 0.40926 1.00000
Sb2 Sb 0.33414 0.66586 0.92620 1.00000
Sb3 Sb 0.66465 0.33535 0.59074 1.00000
Sb4 Sb 0.00400 0.99600 0.75296 1.00000
Sb5 Sb 0.99600 0.00400 0.24704 1.00000
Sb6 Sb 0.66586 0.33414 0.07380 1.00000
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