Yb3Se4
Alexandria ALEXAlex-ID: agm005287983 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_151_spg62
YbSe Se
2023-05-12 23:59:33.489854
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287983).
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 agm005287983
data_agm005287983
_cell_length_a 4.02822
_cell_length_b 13.58302
_cell_length_c 13.54241
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 740.97888
_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
Yb1 Yb 0.25000 0.08433 0.13095 1.00000
Yb2 Yb 0.75000 0.91567 0.86905 1.00000
Yb3 Yb 0.25000 0.41567 0.63095 1.00000
Yb4 Yb 0.75000 0.58433 0.36905 1.00000
Yb5 Yb 0.75000 0.41924 0.10691 1.00000
Yb6 Yb 0.25000 0.58076 0.89309 1.00000
Yb7 Yb 0.75000 0.08076 0.60691 1.00000
Yb8 Yb 0.25000 0.91924 0.39309 1.00000
Yb9 Yb 0.25000 0.29606 0.35332 1.00000
Yb10 Yb 0.75000 0.70394 0.64668 1.00000
Yb11 Yb 0.25000 0.20394 0.85332 1.00000
Yb12 Yb 0.75000 0.79606 0.14668 1.00000
Se1 Se 0.75000 0.23346 0.21440 1.00000
Se2 Se 0.25000 0.76654 0.78560 1.00000
Se3 Se 0.75000 0.26654 0.71440 1.00000
Se4 Se 0.25000 0.73346 0.28560 1.00000
Se5 Se 0.25000 0.47992 0.24799 1.00000
Se6 Se 0.75000 0.52008 0.75201 1.00000
Se7 Se 0.25000 0.02008 0.74799 1.00000
Se8 Se 0.75000 0.97992 0.25201 1.00000
Se9 Se 0.75000 0.38803 0.47420 1.00000
Se10 Se 0.25000 0.61197 0.52580 1.00000
Se11 Se 0.75000 0.11197 0.97420 1.00000
Se12 Se 0.25000 0.88803 0.02580 1.00000
Se13 Se 0.25000 0.11937 0.46470 1.00000
Se14 Se 0.75000 0.88063 0.53530 1.00000
Se15 Se 0.25000 0.38063 0.96470 1.00000
Se16 Se 0.75000 0.61937 0.03530 1.00000
