YHf2WC4
Alexandria ALEXAlex-ID: agm004776907 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_403_spg63
Y2W2C3 C HfC
2022-07-13 11:24:20.204780
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004776907).
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 agm004776907
data_agm004776907
_cell_length_a 3.32132
_cell_length_b 6.04586
_cell_length_c 11.68919
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.94278
_cell_volume 225.69388
_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
Y1 Y 0.11231 0.22462 0.75000 1.00000
Y2 Y 0.88769 0.77538 0.25000 1.00000
Hf1 Hf 0.36984 0.73968 0.53501 1.00000
Hf2 Hf 0.63016 0.26032 0.03501 1.00000
Hf3 Hf 0.63016 0.26032 0.46499 1.00000
Hf4 Hf 0.36984 0.73968 0.96499 1.00000
W1 W 0.84594 0.69188 0.75000 1.00000
W2 W 0.15406 0.30812 0.25000 1.00000
C1 C 0.25807 0.51614 0.11729 1.00000
C2 C 0.74193 0.48386 0.61729 1.00000
C3 C 0.74193 0.48386 0.88271 1.00000
C4 C 0.25807 0.51614 0.38271 1.00000
C5 C 0.00000 0.00000 0.50000 1.00000
C6 C 0.00000 0.00000 0.00000 1.00000
C7 C 0.44751 0.89502 0.75000 1.00000
C8 C 0.55249 0.10498 0.25000 1.00000
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