Er4CrSe7
Alexandria ALEXAlex-ID: agm005287474 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_25_spg8
Cr3Se4 Er2Se3 Cr
2023-04-21 14:16:19.060241
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287474).
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 agm005287474
data_agm005287474
_cell_length_a 6.77283
_cell_length_b 6.77283
_cell_length_c 11.93853
_cell_angle_alpha 74.50464
_cell_angle_beta 74.50464
_cell_angle_gamma 33.82092
_cell_volume 292.68846
_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 0.68527 0.68527 0.22329 1.00000
Er2 Er 0.29796 0.29796 0.81070 1.00000
Er3 Er 0.99017 0.99017 0.00509 1.00000
Er4 Er 0.12064 0.12064 0.56501 1.00000
Cr1 Cr 0.89050 0.89050 0.42405 1.00000
Se1 Se 0.75279 0.75279 0.63595 1.00000
Se2 Se 0.27881 0.27881 0.35497 1.00000
Se3 Se 0.32700 0.32700 0.05624 1.00000
Se4 Se 0.65152 0.65152 0.94816 1.00000
Se5 Se 0.02823 0.02823 0.22470 1.00000
Se6 Se 0.96088 0.96088 0.78166 1.00000
Se7 Se 0.51624 0.51624 0.47019 1.00000
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