Ce3Mg7In4
Alexandria ALEXAlex-ID: agm005705090 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
CeMg3In2 CeMgIn Mg
2023-06-29 18:52:26.616337
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705090).
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 agm005705090
data_agm005705090
_cell_length_a 4.82601
_cell_length_b 9.05211
_cell_length_c 9.20547
_cell_angle_alpha 70.68773
_cell_angle_beta 74.80368
_cell_angle_gamma 74.53986
_cell_volume 359.03198
_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
Ce1 Ce 0.29276 0.19702 0.21746 1.00000
Ce2 Ce 0.70724 0.80298 0.78254 1.00000
Ce3 Ce 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.33915 0.80926 0.51243 1.00000
Mg2 Mg 0.49434 0.18560 0.82571 1.00000
Mg3 Mg 0.84521 0.37723 0.93236 1.00000
Mg4 Mg 0.66085 0.19074 0.48757 1.00000
Mg5 Mg 0.15479 0.62277 0.06764 1.00000
Mg6 Mg 0.00000 0.00000 0.00000 1.00000
Mg7 Mg 0.50566 0.81440 0.17429 1.00000
In1 In 0.64782 0.47028 0.23409 1.00000
In2 In 0.35218 0.52972 0.76591 1.00000
In3 In 0.86836 0.91734 0.34594 1.00000
In4 In 0.13164 0.08266 0.65406 1.00000
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