Hf4C2O
Alexandria ALEXAlex-ID: agm005990432 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_22_spg12
Hf3O Hf3C2 HfO2
2023-09-05 03:29:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990432).
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 agm005990432
data_agm005990432
_cell_length_a 3.23766
_cell_length_b 5.62862
_cell_length_c 6.28083
_cell_angle_alpha 116.48075
_cell_angle_beta 104.93606
_cell_angle_gamma 90.00001
_cell_volume 98.11110
_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
C1 C 0.25676 0.25734 0.51352 1.00000
C2 C 0.74324 0.74266 0.48648 1.00000
Hf1 Hf 0.13053 0.80348 0.26106 1.00000
Hf2 Hf 0.86947 0.19652 0.73894 1.00000
Hf3 Hf 0.36758 0.70470 0.73516 1.00000
Hf4 Hf 0.63242 0.29530 0.26484 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
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