CaMn2(CrP)2
Alexandria ALEXAlex-ID: agm024115479 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
Ca2Mn12P7 MnCr15 Mn5Cr7P4 Ca3P2
2025-06-26 06:08:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024115479).
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 agm024115479
data_agm024115479
_cell_length_a 7.86208
_cell_length_b 7.86208
_cell_length_c 7.86208
_cell_angle_alpha 28.64934
_cell_angle_beta 28.64934
_cell_angle_gamma 28.64934
_cell_volume 98.75753
_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 0.44668 0.44668 0.44668 1.00000
Mn2 Mn 0.55332 0.55332 0.55332 1.00000
Cr1 Cr 0.85599 0.85599 0.85599 1.00000
Cr2 Cr 0.14401 0.14401 0.14401 1.00000
P1 P 0.25073 0.25073 0.25073 1.00000
P2 P 0.74927 0.74927 0.74927 1.00000
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