TbZrF7
Alexandria ALEXAlex-ID: agm005237133 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
TbZrF7
2023-05-07 13:49:31.675765
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005237133).
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 agm005237133
data_agm005237133
_cell_length_a 5.86141
_cell_length_b 6.12669
_cell_length_c 8.34908
_cell_angle_alpha 76.90521
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 292.02772
_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
Tb1 Tb 0.70002 0.34818 0.68800 1.00000
Tb2 Tb 0.20002 0.65182 0.31200 1.00000
Zr1 Zr 0.70480 0.18298 0.22577 1.00000
Zr2 Zr 0.20480 0.81702 0.77423 1.00000
F1 F 0.92282 0.52489 0.48904 1.00000
F2 F 0.42282 0.47511 0.51096 1.00000
F3 F 0.44281 0.06524 0.76149 1.00000
F4 F 0.94281 0.93476 0.23851 1.00000
F5 F 0.96829 0.06942 0.75432 1.00000
F6 F 0.46829 0.93058 0.24568 1.00000
F7 F 0.95979 0.57568 0.79263 1.00000
F8 F 0.45979 0.42432 0.20737 1.00000
F9 F 0.70086 0.23177 0.97620 1.00000
F10 F 0.20086 0.76823 0.02380 1.00000
F11 F 0.70648 0.13860 0.47436 1.00000
F12 F 0.20648 0.86140 0.52564 1.00000
F13 F 0.47050 0.59584 0.79134 1.00000
F14 F 0.97050 0.40416 0.20866 1.00000
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