TmZrF7
Alexandria ALEXAlex-ID: agm024191495 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
TmZrF7
2024-12-03 03:54:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024191495).
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 agm024191495
data_agm024191495
_cell_length_a 5.95487
_cell_length_b 5.71692
_cell_length_c 8.14243
_cell_angle_alpha 90.00000
_cell_angle_beta 102.01530
_cell_angle_gamma 90.00000
_cell_volume 271.12438
_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
Tm1 Tm 0.31283 0.29188 0.72815 1.00000
Tm2 Tm 0.68717 0.79188 0.27185 1.00000
Zr1 Zr 0.15700 0.29800 0.19007 1.00000
Zr2 Zr 0.84300 0.79800 0.80993 1.00000
F1 F 0.97006 0.10554 0.98528 1.00000
F2 F 0.02994 0.60554 0.01472 1.00000
F3 F 0.39533 0.56607 0.26267 1.00000
F4 F 0.60467 0.06607 0.73733 1.00000
F5 F 0.42204 0.05327 0.25459 1.00000
F6 F 0.57796 0.55327 0.74541 1.00000
F7 F 0.97486 0.02002 0.28515 1.00000
F8 F 0.02514 0.52002 0.71485 1.00000
F9 F 0.24821 0.30538 0.46215 1.00000
F10 F 0.75179 0.80538 0.53785 1.00000
F11 F 0.35559 0.30989 0.99609 1.00000
F12 F 0.64441 0.80989 0.00391 1.00000
F13 F 0.88222 0.47361 0.26486 1.00000
F14 F 0.11778 0.97361 0.73514 1.00000
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