ZrSbSe
Alexandria ALEXAlex-ID: agm005651173 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_26_spg64
ZrSb2 ZrSe2
2023-06-18 10:48:06.889242
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651173).
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 agm005651173
data_agm005651173
_cell_length_a 5.67031
_cell_length_b 7.42918
_cell_length_c 7.50984
_cell_angle_alpha 90.00000
_cell_angle_beta 112.15356
_cell_angle_gamma 90.00000
_cell_volume 293.00326
_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
Zr1 Zr 0.12638 0.92348 0.25293 1.00000
Zr2 Zr 0.37362 0.42348 0.74707 1.00000
Zr3 Zr 0.87362 0.07652 0.74707 1.00000
Zr4 Zr 0.62638 0.57652 0.25293 1.00000
Sb1 Sb 0.70471 0.75000 0.90898 1.00000
Sb2 Sb 0.79529 0.25000 0.09102 1.00000
Sb3 Sb 0.29529 0.25000 0.09102 1.00000
Sb4 Sb 0.20471 0.75000 0.90898 1.00000
Se1 Se 0.19769 0.59057 0.39524 1.00000
Se2 Se 0.30231 0.09057 0.60476 1.00000
Se3 Se 0.80231 0.40943 0.60476 1.00000
Se4 Se 0.69769 0.90943 0.39524 1.00000
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