ErMnF7
Alexandria ALEXAlex-ID: agm024260122 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
ErMnF7
2024-09-13 16:54:15.518495
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024260122).
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 agm024260122
data_agm024260122
_cell_length_a 5.47611
_cell_length_b 5.81977
_cell_length_c 7.95627
_cell_angle_alpha 77.27598
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 247.33683
_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
Er1 Er 0.69867 0.34041 0.68973 1.00000
Er2 Er 0.19867 0.65959 0.31028 1.00000
Mn1 Mn 0.71007 0.18925 0.22291 1.00000
Mn2 Mn 0.21007 0.81075 0.77709 1.00000
F1 F 0.88809 0.55510 0.47806 1.00000
F2 F 0.38809 0.44490 0.52194 1.00000
F3 F 0.42913 0.05183 0.77289 1.00000
F4 F 0.92913 0.94817 0.22711 1.00000
F5 F 0.95876 0.02941 0.76008 1.00000
F6 F 0.45876 0.97059 0.23992 1.00000
F7 F 0.99502 0.56386 0.79402 1.00000
F8 F 0.49502 0.43614 0.20598 1.00000
F9 F 0.70260 0.23279 0.98654 1.00000
F10 F 0.20260 0.76721 0.01346 1.00000
F11 F 0.72011 0.13343 0.45878 1.00000
F12 F 0.22011 0.86657 0.54122 1.00000
F13 F 0.47394 0.60854 0.79569 1.00000
F14 F 0.97394 0.39146 0.20431 1.00000
Get direct link