Cr2H7C
Alexandria ALEXAlex-ID: agm006201504 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_876_spg1
CrH H4C H2
2023-10-29 21:34:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201504).
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 agm006201504
data_agm006201504
_cell_length_a 8.65896
_cell_length_b 9.56085
_cell_length_c 9.69421
_cell_angle_alpha 150.04799
_cell_angle_beta 24.81816
_cell_angle_gamma 162.82221
_cell_volume 99.48705
_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 0.20547 0.66398 0.13604 1.00000
H2 H 0.11489 0.24206 0.82534 1.00000
H3 H 0.35883 0.60114 0.79325 1.00000
H4 H 0.74530 0.94742 0.22086 1.00000
H5 H 0.84103 0.06770 0.48616 1.00000
H6 H 0.58495 0.15757 0.10297 1.00000
H7 H 0.73386 0.44816 0.73478 1.00000
C1 C 0.06656 0.41646 0.96424 1.00000
Cr1 Cr 0.28868 0.00616 0.85336 1.00000
Cr2 Cr 0.29282 0.50672 0.35117 1.00000
Get direct link