PrMnF7
Alexandria ALEXAlex-ID: agm024166317 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
PrMnF7
2024-12-05 04:31:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024166317).
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 agm024166317
data_agm024166317
_cell_length_a 6.09220
_cell_length_b 5.56429
_cell_length_c 8.21353
_cell_angle_alpha 90.00000
_cell_angle_beta 101.47899
_cell_angle_gamma 90.00000
_cell_volume 272.85896
_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 0.16701 0.29821 0.18895 1.00000
Pr2 Pr 0.83299 0.79821 0.81105 1.00000
Mn1 Mn 0.30416 0.28568 0.71994 1.00000
Mn2 Mn 0.69584 0.78568 0.28006 1.00000
F1 F 0.91924 0.14318 0.96739 1.00000
F2 F 0.08076 0.64318 0.03261 1.00000
F3 F 0.46253 0.57744 0.28219 1.00000
F4 F 0.53747 0.07744 0.71781 1.00000
F5 F 0.49610 0.04009 0.26297 1.00000
F6 F 0.50390 0.54009 0.73703 1.00000
F7 F 0.93577 0.98974 0.28690 1.00000
F8 F 0.06423 0.48974 0.71310 1.00000
F9 F 0.25943 0.29929 0.49209 1.00000
F10 F 0.74057 0.79929 0.50791 1.00000
F11 F 0.35667 0.26667 0.94867 1.00000
F12 F 0.64333 0.76667 0.05133 1.00000
F13 F 0.88466 0.52357 0.29577 1.00000
F14 F 0.11534 0.02357 0.70423 1.00000
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