Er8P4Se3Cl
Alexandria ALEXAlex-ID: agm050689683 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_63_spg12
Er2PSe Er3P2Se Er2PCl2 Er
2025-02-28 15:25:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050689683).
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 agm050689683
data_agm050689683
_cell_length_a 8.07806
_cell_length_b 8.07806
_cell_length_c 8.07806
_cell_angle_alpha 58.85374
_cell_angle_beta 58.85374
_cell_angle_gamma 58.85374
_cell_volume 362.98642
_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 0.76328 0.25294 0.76328 1.00000
Er2 Er 0.76328 0.76328 0.25294 1.00000
Er3 Er 0.74186 0.74186 0.74186 1.00000
Er4 Er 0.25294 0.76328 0.76328 1.00000
Er5 Er 0.74706 0.23672 0.23672 1.00000
Er6 Er 0.25814 0.25814 0.25814 1.00000
Er7 Er 0.23672 0.23672 0.74706 1.00000
Er8 Er 0.23672 0.74706 0.23672 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
P2 P 0.00000 0.50000 0.50000 1.00000
P3 P 0.50000 0.50000 0.00000 1.00000
P4 P 0.50000 0.00000 0.50000 1.00000
Se1 Se 0.00000 0.00000 0.50000 1.00000
Se2 Se 0.00000 0.50000 0.00000 1.00000
Se3 Se 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.50000 0.50000 0.50000 1.00000
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