NiWCl2
Alexandria ALEXAlex-ID: agm003993604 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6877_spg12
WCl4 Ni7W2 WCl2
2023-03-16 00:13:46.778461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003993604).
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 agm003993604
data_agm003993604
_cell_length_a 4.34615
_cell_length_b 8.42426
_cell_length_c 8.43562
_cell_angle_alpha 159.32253
_cell_angle_beta 105.20472
_cell_angle_gamma 89.27062
_cell_volume 76.89455
_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
Ni1 Ni 0.54695 0.62515 0.34239 1.00000
W1 W 0.96088 0.62532 0.17322 1.00000
Cl1 Cl 0.14620 0.12383 0.03712 1.00000
Cl2 Cl 0.84588 0.12570 0.44727 1.00000
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