Mn4Cd4In7
Alexandria ALEXAlex-ID: agm008570698 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B4C7_17_spg2
Cd4In3 CdIn6 Mn
2024-05-30 03:46:59.259719
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008570698).
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 agm008570698
data_agm008570698
_cell_length_a 5.68495
_cell_length_b 9.79007
_cell_length_c 12.11464
_cell_angle_alpha 98.08312
_cell_angle_beta 99.82571
_cell_angle_gamma 93.19028
_cell_volume 655.56606
_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
Mn1 Mn 0.97248 0.25659 0.05280 1.00000
Mn2 Mn 0.02752 0.74341 0.94720 1.00000
Mn3 Mn 0.11078 0.08175 0.21632 1.00000
Mn4 Mn 0.88922 0.91825 0.78368 1.00000
Mn5 Mn 0.38546 0.84832 0.83558 1.00000
Mn6 Mn 0.61454 0.15168 0.16442 1.00000
Mn7 Mn 0.58034 0.14299 0.83716 1.00000
Mn8 Mn 0.41966 0.85701 0.16284 1.00000
Cd1 Cd 0.26288 0.89062 0.39614 1.00000
Cd2 Cd 0.17403 0.19614 0.46532 1.00000
Cd3 Cd 0.11660 0.59724 0.73952 1.00000
Cd4 Cd 0.16431 0.54958 0.11436 1.00000
Cd5 Cd 0.83569 0.45042 0.88564 1.00000
Cd6 Cd 0.88340 0.40276 0.26048 1.00000
Cd7 Cd 0.82597 0.80386 0.53468 1.00000
Cd8 Cd 0.73712 0.10938 0.60386 1.00000
In1 In 0.22010 0.59074 0.46845 1.00000
In2 In 0.77990 0.40926 0.53155 1.00000
In3 In 0.40048 0.34227 0.69009 1.00000
In4 In 0.59952 0.65773 0.30991 1.00000
In5 In 0.24766 0.02517 0.99895 1.00000
In6 In 0.75234 0.97483 0.00105 1.00000
In7 In 0.51545 0.65281 0.97660 1.00000
In8 In 0.48455 0.34719 0.02340 1.00000
In9 In 0.29187 0.96184 0.64627 1.00000
In10 In 0.70813 0.03816 0.35373 1.00000
In11 In 0.38848 0.34083 0.29712 1.00000
In12 In 0.61152 0.65917 0.70288 1.00000
In13 In 0.92565 0.79596 0.18021 1.00000
In14 In 0.07435 0.20404 0.81979 1.00000
