DyThF7
Alexandria ALEXAlex-ID: agm024207872 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
ThF4 DyF3
2024-12-26 14:04:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024207872).
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 agm024207872
data_agm024207872
_cell_length_a 6.32328
_cell_length_b 6.17857
_cell_length_c 8.65577
_cell_angle_alpha 90.00000
_cell_angle_beta 101.62980
_cell_angle_gamma 90.00000
_cell_volume 331.22811
_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
Dy1 Dy 0.81283 0.75000 0.22675 1.00000
Dy2 Dy 0.18717 0.25000 0.77325 1.00000
Th1 Th 0.66106 0.75000 0.69572 1.00000
Th2 Th 0.33894 0.25000 0.30428 1.00000
F1 F 0.50000 0.50000 0.50000 1.00000
F2 F 0.50000 0.00000 0.50000 1.00000
F3 F 0.92139 0.01427 0.75345 1.00000
F4 F 0.07861 0.51427 0.24655 1.00000
F5 F 0.92139 0.48573 0.75345 1.00000
F6 F 0.07861 0.98573 0.24655 1.00000
F7 F 0.42286 0.51404 0.78904 1.00000
F8 F 0.57714 0.01404 0.21096 1.00000
F9 F 0.77309 0.75000 0.97033 1.00000
F10 F 0.22691 0.25000 0.02967 1.00000
F11 F 0.85005 0.75000 0.48401 1.00000
F12 F 0.14995 0.25000 0.51599 1.00000
F13 F 0.42286 0.98596 0.78904 1.00000
F14 F 0.57714 0.48596 0.21096 1.00000
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