Er2TmSe3
Alexandria ALEXAlex-ID: agm034828025 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
ErTmSe2 ErSe
2025-01-03 11:02:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034828025).
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 agm034828025
data_agm034828025
_cell_length_a 13.24849
_cell_length_b 12.62722
_cell_length_c 7.00922
_cell_angle_alpha 79.23807
_cell_angle_beta 69.44624
_cell_angle_gamma 31.31569
_cell_volume 555.00345
_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 0.99977 0.99977 0.50023 1.00000
Er2 Er 0.41725 0.41725 0.58275 1.00000
Er3 Er 0.83275 0.83275 0.66725 1.00000
Er4 Er 0.25023 0.25023 0.74977 1.00000
Er5 Er 0.74977 0.74977 0.25023 1.00000
Er6 Er 0.66725 0.66725 0.83275 1.00000
Er7 Er 0.58275 0.58275 0.41725 1.00000
Er8 Er 0.50023 0.50023 0.99977 1.00000
Tm1 Tm 0.91688 0.91688 0.08312 1.00000
Tm2 Tm 0.33312 0.33312 0.16688 1.00000
Tm3 Tm 0.16688 0.16688 0.33312 1.00000
Tm4 Tm 0.08312 0.08312 0.91688 1.00000
Se1 Se 0.66622 0.16628 0.83518 1.00000
Se2 Se 0.16628 0.66622 0.33232 1.00000
Se3 Se 0.58378 0.08372 0.41482 1.00000
Se4 Se 0.08372 0.58378 0.91768 1.00000
Se5 Se 0.49811 0.00189 0.00189 1.00000
Se6 Se 0.00189 0.49811 0.49811 1.00000
Se7 Se 0.91768 0.41482 0.08372 1.00000
Se8 Se 0.41482 0.91768 0.58378 1.00000
Se9 Se 0.33232 0.83518 0.16628 1.00000
Se10 Se 0.83518 0.33232 0.66622 1.00000
Se11 Se 0.75189 0.24811 0.24811 1.00000
Se12 Se 0.24811 0.75189 0.75189 1.00000
