Ce3Pm2ErSe6
Alexandria ALEXAlex-ID: agm035923698 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_166_spg12
CePm3Se4 Ce2Pm3Se5 Ce2ErSe3
2024-12-12 01:41:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035923698).
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 agm035923698
data_agm035923698
_cell_length_a 9.35129
_cell_length_b 9.35129
_cell_length_c 8.37494
_cell_angle_alpha 76.68695
_cell_angle_beta 103.31305
_cell_angle_gamma 154.27460
_cell_volume 308.89253
_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
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.16892 0.83108 0.33426 1.00000
Ce3 Ce 0.83108 0.16892 0.66574 1.00000
Pm1 Pm 0.16680 0.83320 0.83420 1.00000
Pm2 Pm 0.83320 0.16680 0.16580 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.66190 0.33810 0.58175 1.00000
Se2 Se 0.33320 0.66680 0.91688 1.00000
Se3 Se 0.33810 0.66190 0.41825 1.00000
Se4 Se 0.00082 0.99918 0.26126 1.00000
Se5 Se 0.99918 0.00082 0.73874 1.00000
Se6 Se 0.66680 0.33320 0.08312 1.00000
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