ErSnF7
Alexandria ALEXAlex-ID: agm024197037 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_80_spg2
ErSnF7
2024-08-26 01:28:54.294837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024197037).
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 agm024197037
data_agm024197037
_cell_length_a 5.75830
_cell_length_b 5.98302
_cell_length_c 8.20481
_cell_angle_alpha 76.61076
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 274.98894
_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 0.75584 0.65259 0.31047 1.00000
Er2 Er 0.25584 0.34741 0.68953 1.00000
Sn1 Sn 0.75786 0.81695 0.77312 1.00000
Sn2 Sn 0.25786 0.18305 0.22688 1.00000
F1 F 0.49602 0.50816 0.49603 1.00000
F2 F 0.99602 0.49184 0.50397 1.00000
F3 F 0.49275 0.93155 0.24024 1.00000
F4 F 0.99275 0.06845 0.75976 1.00000
F5 F 0.75632 0.77531 0.02073 1.00000
F6 F 0.25632 0.22469 0.97927 1.00000
F7 F 0.01703 0.93563 0.24227 1.00000
F8 F 0.51703 0.06437 0.75773 1.00000
F9 F 0.51846 0.41108 0.20349 1.00000
F10 F 0.01846 0.58892 0.79651 1.00000
F11 F 0.51000 0.57647 0.79768 1.00000
F12 F 0.01000 0.42353 0.20232 1.00000
F13 F 0.75759 0.87184 0.52478 1.00000
F14 F 0.25759 0.12816 0.47522 1.00000
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