Na2Ca2Mg
Alexandria ALEXAlex-ID: agm012407904 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_417_spg65
Na CaMg2 Ca
2025-04-15 19:54:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012407904).
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 agm012407904
data_agm012407904
_cell_length_a 3.88136
_cell_length_b 3.88136
_cell_length_c 12.04437
_cell_angle_alpha 80.74737
_cell_angle_beta 99.25263
_cell_angle_gamma 89.79957
_cell_volume 176.67702
_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
Na1 Na 0.19939 0.80061 0.39871 1.00000
Na2 Na 0.80061 0.19939 0.60129 1.00000
Ca1 Ca 0.41341 0.58659 0.82587 1.00000
Ca2 Ca 0.58659 0.41341 0.17413 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
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