Mn6CdP4
Alexandria ALEXAlex-ID: agm002232648 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_3_spg187
Mn2P Cd MnP
2018-07-16 01:52:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002232648).
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 agm002232648
data_agm002232648
_cell_length_a 3.32962
_cell_length_b 6.92497
_cell_length_c 6.92509
_cell_angle_alpha 120.00012
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 138.28258
_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
P1 P 0.50000 0.19020 0.38039 1.00000
P2 P 0.50000 0.61962 0.80981 1.00000
P3 P 0.00000 0.66665 0.33332 1.00000
P4 P 0.50000 0.19019 0.80981 1.00000
Mn1 Mn 0.50000 0.80124 0.60248 1.00000
Mn2 Mn 0.50000 0.80125 0.19876 1.00000
Mn3 Mn 0.00000 0.46545 0.53457 1.00000
Mn4 Mn 0.00000 0.06912 0.53456 1.00000
Mn5 Mn 0.00000 0.46544 0.93088 1.00000
Mn6 Mn 0.50000 0.39750 0.19875 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
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