H7W2Cl
Alexandria ALEXAlex-ID: agm006203752 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1387_spg8
H3Cl H2 W
2023-11-02 11:00:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006203752).
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
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# CIF generated by HEAS from Alexandria entry agm006203752
data_agm006203752
_cell_length_a 6.28087
_cell_length_b 6.74576
_cell_length_c 6.72598
_cell_angle_alpha 153.86819
_cell_angle_beta 111.32728
_cell_angle_gamma 61.64686
_cell_volume 109.00341
_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
H1 H 0.40440 0.78238 0.09647 1.00000
H2 H 0.64115 0.81238 0.81635 1.00000
H3 H 0.56224 0.17149 0.54669 1.00000
H4 H 0.20332 0.53446 0.54341 1.00000
H5 H 0.41970 0.06563 0.78258 1.00000
H6 H 0.29824 0.61355 0.35988 1.00000
H7 H 0.87007 0.04179 0.35902 1.00000
W1 W 0.31236 0.02434 0.93920 1.00000
W2 W 0.66898 0.65916 0.94725 1.00000
Cl1 Cl 0.85194 0.35220 0.07730 1.00000
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