Mg2C3
Alexandria ALEXAlex-ID: agm005508316 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_580_spg43
C Mg
2023-03-19 17:14:27.694951
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508316).
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 agm005508316
data_agm005508316
_cell_length_a 8.65670
_cell_length_b 7.24581
_cell_length_c 5.36405
_cell_angle_alpha 85.32446
_cell_angle_beta 56.53593
_cell_angle_gamma 38.13961
_cell_volume 126.52215
_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
Mg1 Mg 0.70212 0.13583 0.77635 1.00000
Mg2 Mg 0.38570 0.77635 0.13583 1.00000
Mg3 Mg 0.47365 0.86430 0.54788 1.00000
Mg4 Mg 0.11417 0.54788 0.86430 1.00000
C1 C 0.14518 0.26298 0.12466 1.00000
C2 C 0.46718 0.12466 0.26298 1.00000
C3 C 0.12534 0.78282 0.10482 1.00000
C4 C 0.98702 0.10482 0.78282 1.00000
C5 C 0.29982 0.20018 0.20018 1.00000
C6 C 0.04982 0.95018 0.95018 1.00000
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