GaMo2C
Alexandria ALEXAlex-ID: agm002045189 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_2552_spg8
Ga4Mo Mo2C C
2021-10-08 07:04:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002045189).
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
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# CIF generated by HEAS from Alexandria entry agm002045189
data_agm002045189
_cell_length_a 3.02000
_cell_length_b 5.31502
_cell_length_c 6.99475
_cell_angle_alpha 97.21326
_cell_angle_beta 102.45484
_cell_angle_gamma 90.08793
_cell_volume 108.71766
_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
Mo1 Mo 0.65349 0.04691 0.80769 1.00000
Mo2 Mo 0.34651 0.95309 0.19231 1.00000
Mo3 Mo 0.16988 0.56060 0.83952 1.00000
Mo4 Mo 0.83012 0.43940 0.16048 1.00000
C1 C 0.24692 0.23661 0.99447 1.00000
C2 C 0.75308 0.76339 0.00553 1.00000
Ga1 Ga 0.01222 0.24835 0.49889 1.00000
Ga2 Ga 0.98778 0.75165 0.50111 1.00000
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