Er2Tm3S4
Alexandria ALEXAlex-ID: agm005693669 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Er4TmS5 ErTm4S5 ErTm15
2023-06-30 21:59:41.081898
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693669).
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 agm005693669
data_agm005693669
_cell_length_a 3.79832
_cell_length_b 3.79832
_cell_length_c 15.71451
_cell_angle_alpha 90.01473
_cell_angle_beta 89.98534
_cell_angle_gamma 119.99471
_cell_volume 196.35311
_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 0.66698 0.33302 0.79431 1.00000
Er2 Er 0.33302 0.66698 0.20569 1.00000
Tm1 Tm 0.66643 0.33357 0.41180 1.00000
Tm2 Tm 0.00000 0.00000 0.00000 1.00000
Tm3 Tm 0.33357 0.66643 0.58820 1.00000
S1 S 0.33349 0.66651 0.89850 1.00000
S2 S 0.99970 0.00030 0.30683 1.00000
S3 S 0.00030 0.99970 0.69317 1.00000
S4 S 0.66651 0.33349 0.10150 1.00000
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