Er5InSe4
Alexandria ALEXAlex-ID: agm006126972 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
Er5Se6 Er10In6Se ErSe
2023-10-18 02:21:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126972).
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
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# CIF generated by HEAS from Alexandria entry agm006126972
data_agm006126972
_cell_length_a 5.80790
_cell_length_b 7.12858
_cell_length_c 7.12858
_cell_angle_alpha 80.44771
_cell_angle_beta 65.96047
_cell_angle_gamma 65.96048
_cell_volume 246.16072
_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 0.90083 0.40389 0.79635 1.00000
Er2 Er 0.30472 0.79635 0.59611 1.00000
Er3 Er 0.69718 0.20365 0.40389 1.00000
Er4 Er 0.10107 0.59611 0.20365 1.00000
Er5 Er 0.50136 0.00000 0.00000 1.00000
In1 In 0.00136 0.00000 0.00000 1.00000
Se1 Se 0.40045 0.40185 0.79914 1.00000
Se2 Se 0.80230 0.79914 0.59815 1.00000
Se3 Se 0.19959 0.20086 0.40185 1.00000
Se4 Se 0.60144 0.59815 0.20086 1.00000
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