Pm4Se3Cl
Alexandria ALEXAlex-ID: agm006038271 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_43_spg166
Pm2Cl3 Pm PmSe
2023-09-22 18:25:58.604351
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006038271).
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 agm006038271
data_agm006038271
_cell_length_a 4.22706
_cell_length_b 4.22706
_cell_length_c 13.43913
_cell_angle_alpha 80.95170
_cell_angle_beta 80.95170
_cell_angle_gamma 60.00000
_cell_volume 204.50214
_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
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.74820 0.74820 0.75540 1.00000
Se2 Se 0.50000 0.50000 0.50000 1.00000
Se3 Se 0.25180 0.25180 0.24460 1.00000
Pm1 Pm 0.62459 0.62459 0.12622 1.00000
Pm2 Pm 0.87750 0.87750 0.36751 1.00000
Pm3 Pm 0.37541 0.37541 0.87378 1.00000
Pm4 Pm 0.12250 0.12250 0.63249 1.00000
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