Ca2C
Alexandria ALEXAlex-ID: agm003196399 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_300_spg12
Ca2C3 Ca
2021-12-02 23:24:12.758511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003196399).
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 agm003196399
data_agm003196399
_cell_length_a 7.19886
_cell_length_b 7.19886
_cell_length_c 7.17105
_cell_angle_alpha 65.29234
_cell_angle_beta 65.29234
_cell_angle_gamma 27.32530
_cell_volume 154.00391
_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 0.66714 0.66714 0.80550 1.00000
C2 C 0.61064 0.61064 0.69450 1.00000
Ca1 Ca 0.01037 0.01037 0.00149 1.00000
Ca2 Ca 0.25573 0.25573 0.97155 1.00000
Ca3 Ca 0.02205 0.02205 0.52845 1.00000
Ca4 Ca 0.26741 0.26741 0.49851 1.00000
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