CaWF6
Alexandria ALEXAlex-ID: agm071241112 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1361_spg212
CaWF6
2024-08-06 16:18:45.185006
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071241112).
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 agm071241112
data_agm071241112
_cell_length_a 9.76520
_cell_length_b 9.76520
_cell_length_c 9.76520
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 931.20043
_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
Ca1 Ca 0.12500 0.12500 0.12500 1.00000
Ca2 Ca 0.37500 0.87500 0.62500 1.00000
Ca3 Ca 0.87500 0.62500 0.37500 1.00000
Ca4 Ca 0.62500 0.37500 0.87500 1.00000
W1 W 0.62500 0.62500 0.62500 1.00000
W2 W 0.87500 0.37500 0.12500 1.00000
W3 W 0.37500 0.12500 0.87500 1.00000
W4 W 0.12500 0.87500 0.37500 1.00000
F1 F 0.14331 0.87277 0.58151 1.00000
F2 F 0.35669 0.12723 0.08151 1.00000
F3 F 0.85669 0.37277 0.91849 1.00000
F4 F 0.64331 0.62723 0.41849 1.00000
F5 F 0.58151 0.14331 0.87277 1.00000
F6 F 0.08151 0.35669 0.12723 1.00000
F7 F 0.91849 0.85669 0.37277 1.00000
F8 F 0.41849 0.64331 0.62723 1.00000
F9 F 0.87277 0.58151 0.14331 1.00000
F10 F 0.12723 0.08151 0.35669 1.00000
F11 F 0.37277 0.91849 0.85669 1.00000
F12 F 0.62723 0.41849 0.64331 1.00000
F13 F 0.12277 0.89331 0.16849 1.00000
F14 F 0.37723 0.10669 0.66849 1.00000
F15 F 0.62277 0.60669 0.83151 1.00000
F16 F 0.87723 0.39331 0.33151 1.00000
F17 F 0.39331 0.33151 0.87723 1.00000
F18 F 0.60669 0.83151 0.62277 1.00000
F19 F 0.10669 0.66849 0.37723 1.00000
F20 F 0.89331 0.16849 0.12277 1.00000
F21 F 0.83151 0.62277 0.60669 1.00000
F22 F 0.33151 0.87723 0.39331 1.00000
F23 F 0.16849 0.12277 0.89331 1.00000
F24 F 0.66849 0.37723 0.10669 1.00000
