Ca3Mg7Ga4
Alexandria ALEXAlex-ID: agm005700596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
Ca(MgGa)2 CaMg2Ga Mg
2023-06-29 16:48:42.973913
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005700596).
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 agm005700596
data_agm005700596
_cell_length_a 4.53416
_cell_length_b 8.77466
_cell_length_c 9.20122
_cell_angle_alpha 72.61598
_cell_angle_beta 75.73605
_cell_angle_gamma 75.02683
_cell_volume 331.76185
_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
Ca1 Ca 0.30436 0.18458 0.20670 1.00000
Ca2 Ca 0.69564 0.81542 0.79330 1.00000
Ca3 Ca 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.32089 0.84211 0.51610 1.00000
Mg2 Mg 0.48977 0.22505 0.79541 1.00000
Mg3 Mg 0.83464 0.40693 0.92379 1.00000
Mg4 Mg 0.67911 0.15789 0.48390 1.00000
Mg5 Mg 0.16536 0.59307 0.07621 1.00000
Mg6 Mg 0.00000 0.00000 0.00000 1.00000
Mg7 Mg 0.51023 0.77495 0.20459 1.00000
Ga1 Ga 0.66260 0.43700 0.23779 1.00000
Ga2 Ga 0.33740 0.56300 0.76221 1.00000
Ga3 Ga 0.88539 0.90263 0.32658 1.00000
Ga4 Ga 0.11461 0.09737 0.67342 1.00000
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