CaIn2Ga6Ni
Alexandria ALEXAlex-ID: agm071541129 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2679_spg212
Ca4Ga18Ni Ga7Ni3 Ga3Ni2 In
2024-09-09 10:15:25.475759
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071541129).
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 agm071541129
data_agm071541129
_cell_length_a 9.28961
_cell_length_b 9.28961
_cell_length_c 9.28961
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 801.66288
_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 0.12500 0.12500 0.12500 1.00000
Ca2 Ca 0.37500 0.87500 0.62500 1.00000
Ca3 Ca 0.87500 0.62500 0.37500 1.00000
Ca4 Ca 0.62500 0.37500 0.87500 1.00000
In1 In 0.91145 0.91145 0.91145 1.00000
In2 In 0.58855 0.08855 0.41145 1.00000
In3 In 0.08855 0.41145 0.58855 1.00000
In4 In 0.41145 0.58855 0.08855 1.00000
In5 In 0.16145 0.66145 0.83855 1.00000
In6 In 0.33855 0.33855 0.33855 1.00000
In7 In 0.66145 0.83855 0.16145 1.00000
In8 In 0.83855 0.16145 0.66145 1.00000
Ga1 Ga 0.40420 0.22584 0.63652 1.00000
Ga2 Ga 0.09580 0.77416 0.13652 1.00000
Ga3 Ga 0.59580 0.72584 0.86348 1.00000
Ga4 Ga 0.90420 0.27416 0.36348 1.00000
Ga5 Ga 0.63652 0.40420 0.22584 1.00000
Ga6 Ga 0.13652 0.09580 0.77416 1.00000
Ga7 Ga 0.86348 0.59580 0.72584 1.00000
Ga8 Ga 0.36348 0.90420 0.27416 1.00000
Ga9 Ga 0.22584 0.63652 0.40420 1.00000
Ga10 Ga 0.77416 0.13652 0.09580 1.00000
Ga11 Ga 0.72584 0.86348 0.59580 1.00000
Ga12 Ga 0.27416 0.36348 0.90420 1.00000
Ga13 Ga 0.47584 0.15420 0.11348 1.00000
Ga14 Ga 0.02416 0.84580 0.61348 1.00000
Ga15 Ga 0.97584 0.34580 0.88652 1.00000
Ga16 Ga 0.52416 0.65420 0.38652 1.00000
Ga17 Ga 0.65420 0.38652 0.52416 1.00000
Ga18 Ga 0.34580 0.88652 0.97584 1.00000
Ga19 Ga 0.84580 0.61348 0.02416 1.00000
Ga20 Ga 0.15420 0.11348 0.47584 1.00000
Ga21 Ga 0.88652 0.97584 0.34580 1.00000
Ga22 Ga 0.38652 0.52416 0.65420 1.00000
Ga23 Ga 0.11348 0.47584 0.15420 1.00000
Ga24 Ga 0.61348 0.02416 0.84580 1.00000
Ni1 Ni 0.62500 0.62500 0.62500 1.00000
Ni2 Ni 0.87500 0.37500 0.12500 1.00000
Ni3 Ni 0.37500 0.12500 0.87500 1.00000
Ni4 Ni 0.12500 0.87500 0.37500 1.00000
