Ca4MgNi2
Alexandria ALEXAlex-ID: agm096700872 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6187_spg10
Ca2Ni CaMgNi CaMg2
2025-04-10 22:18:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096700872).
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 agm096700872
data_agm096700872
_cell_length_a 4.15003
_cell_length_b 5.23322
_cell_length_c 9.42316
_cell_angle_alpha 104.39593
_cell_angle_beta 89.84201
_cell_angle_gamma 90.22400
_cell_volume 198.22482
_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 0.49895 0.09061 0.20010 1.00000
Ca2 Ca 0.00236 0.31672 0.62831 1.00000
Ca3 Ca 0.99764 0.68328 0.37169 1.00000
Ca4 Ca 0.50105 0.90939 0.79990 1.00000
Mg1 Mg 0.00000 0.50000 0.00000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.50000 0.00000 0.50000 1.00000
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