HfCr(MoC2)2
Alexandria ALEXAlex-ID: agm040259341 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_272_spg15
Cr3C2 HfC C Mo2C
2024-10-15 09:26:07.680530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040259341).
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 agm040259341
data_agm040259341
_cell_length_a 6.21633
_cell_length_b 6.21633
_cell_length_c 6.21633
_cell_angle_alpha 119.73386
_cell_angle_beta 120.24183
_cell_angle_gamma 90.02162
_cell_volume 169.88580
_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
Hf1 Hf 0.50000 0.00000 0.50000 1.00000
Hf2 Hf 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.50000 0.00000 0.00000 1.00000
Cr2 Cr 0.50000 0.50000 0.50000 1.00000
Mo1 Mo 0.00000 0.50000 0.00000 1.00000
Mo2 Mo 0.00000 0.00000 0.50000 1.00000
Mo3 Mo 0.00000 0.50000 0.50000 1.00000
Mo4 Mo 0.50000 0.50000 0.00000 1.00000
C1 C 0.73857 0.74540 0.99317 1.00000
C2 C 0.25223 0.74540 0.50683 1.00000
C3 C 0.74777 0.25460 0.49317 1.00000
C4 C 0.26143 0.25460 0.00683 1.00000
C5 C 0.74562 0.25350 0.00788 1.00000
C6 C 0.74562 0.73774 0.49212 1.00000
C7 C 0.25438 0.26226 0.50788 1.00000
C8 C 0.25438 0.74650 0.99212 1.00000
Get direct link