CaMn2(NiSb)2
Alexandria ALEXAlex-ID: agm024400013 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_72_spg166
MnNiSb Ca14MnSb11 Mn3Ni5 Mn
2025-06-09 12:41:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024400013).
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 agm024400013
data_agm024400013
_cell_length_a 8.77364
_cell_length_b 8.77364
_cell_length_c 8.77364
_cell_angle_alpha 27.83375
_cell_angle_beta 27.83375
_cell_angle_gamma 27.83375
_cell_volume 130.01109
_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 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.85756 0.85756 0.85756 1.00000
Mn2 Mn 0.14244 0.14244 0.14244 1.00000
Ni1 Ni 0.45053 0.45053 0.45053 1.00000
Ni2 Ni 0.54947 0.54947 0.54947 1.00000
Sb1 Sb 0.25255 0.25255 0.25255 1.00000
Sb2 Sb 0.74745 0.74745 0.74745 1.00000
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