H7W2C
Alexandria ALEXAlex-ID: agm006201295 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1330_spg8
H2 W H4C
2023-11-09 08:05:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201295).
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 agm006201295
data_agm006201295
_cell_length_a 4.24428
_cell_length_b 4.24479
_cell_length_c 7.43900
_cell_angle_alpha 118.98482
_cell_angle_beta 61.00678
_cell_angle_gamma 122.03765
_cell_volume 94.58105
_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 0.05863 0.74618 0.26057 1.00000
H2 H 0.87171 0.05630 0.76781 1.00000
H3 H 0.27286 0.45748 0.76781 1.00000
H4 H 0.10234 0.22653 0.17739 1.00000
H5 H 0.46143 0.86725 0.47799 1.00000
H6 H 0.58271 0.27031 0.26057 1.00000
H7 H 0.91420 0.41488 0.69660 1.00000
C1 C 0.94360 0.38546 0.82542 1.00000
W1 W 0.38615 0.94286 0.04137 1.00000
W2 W 0.63875 0.69012 0.19264 1.00000
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