CsPmF4
Alexandria ALEXAlex-ID: agm075708993 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_116_spg14
Cs2PmF5 CsPm3F10
2025-01-09 08:55:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075708993).
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 agm075708993
data_agm075708993
_cell_length_a 4.50342
_cell_length_b 7.20142
_cell_length_c 7.76281
_cell_angle_alpha 90.00000
_cell_angle_beta 95.14999
_cell_angle_gamma 90.00000
_cell_volume 250.73947
_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
Cs1 Cs 0.35737 0.25000 0.11890 1.00000
Cs2 Cs 0.64263 0.75000 0.88110 1.00000
Pm1 Pm 0.05898 0.75000 0.41982 1.00000
Pm2 Pm 0.94102 0.25000 0.58018 1.00000
F1 F 0.09374 0.54752 0.66456 1.00000
F2 F 0.09374 0.95248 0.66456 1.00000
F3 F 0.90626 0.45248 0.33544 1.00000
F4 F 0.90626 0.04752 0.33544 1.00000
F5 F 0.43641 0.25000 0.51619 1.00000
F6 F 0.56359 0.75000 0.48381 1.00000
F7 F 0.18085 0.75000 0.14480 1.00000
F8 F 0.81915 0.25000 0.85520 1.00000
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