Ca3(GaNi2)2
Alexandria ALEXAlex-ID: agm002141007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_32_spg12
Ca3(GaNi2)2
2018-06-04 02:47:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002141007).
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 agm002141007
data_agm002141007
_cell_length_a 4.13634
_cell_length_b 5.54358
_cell_length_c 8.18907
_cell_angle_alpha 101.18855
_cell_angle_beta 90.00515
_cell_angle_gamma 111.94777
_cell_volume 170.31226
_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
Ni1 Ni 0.25654 0.51326 0.91693 1.00000
Ni2 Ni 0.91087 0.82212 0.36263 1.00000
Ni3 Ni 0.08913 0.17788 0.63737 1.00000
Ni4 Ni 0.74346 0.48674 0.08307 1.00000
Ca1 Ca 0.62251 0.24534 0.38064 1.00000
Ca2 Ca 0.00000 0.00000 0.00000 1.00000
Ca3 Ca 0.37749 0.75466 0.61936 1.00000
Ga1 Ga 0.68064 0.36141 0.77680 1.00000
Ga2 Ga 0.31936 0.63859 0.22320 1.00000
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