PrSnF7
Alexandria ALEXAlex-ID: agm024136673 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_80_spg2
PrSnF7
2024-08-26 01:18:54.169414
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024136673).
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 agm024136673
data_agm024136673
_cell_length_a 5.90212
_cell_length_b 6.25797
_cell_length_c 8.48061
_cell_angle_alpha 77.48805
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 305.79488
_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
Pr1 Pr 0.75349 0.65922 0.30981 1.00000
Pr2 Pr 0.25349 0.34078 0.69019 1.00000
Sn1 Sn 0.76252 0.81044 0.77543 1.00000
Sn2 Sn 0.26252 0.18956 0.22457 1.00000
F1 F 0.44710 0.55152 0.47829 1.00000
F2 F 0.94710 0.44848 0.52171 1.00000
F3 F 0.49376 0.95406 0.23130 1.00000
F4 F 0.99376 0.04594 0.76870 1.00000
F5 F 0.75517 0.76965 0.01505 1.00000
F6 F 0.25517 0.23035 0.98495 1.00000
F7 F 0.02278 0.95700 0.24292 1.00000
F8 F 0.52278 0.04300 0.75708 1.00000
F9 F 0.52153 0.40232 0.20399 1.00000
F10 F 0.02153 0.59768 0.79601 1.00000
F11 F 0.53390 0.57042 0.79259 1.00000
F12 F 0.03390 0.42958 0.20741 1.00000
F13 F 0.77162 0.86040 0.53491 1.00000
F14 F 0.27162 0.13960 0.46509 1.00000
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