Pm2Mg3Cd
Alexandria ALEXAlex-ID: agm005667306 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_862_spg69
Pm4Mg3Cd Pm2(MgCd)3 PmMg3
2023-08-22 14:07:37.993243
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667306).
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 agm005667306
data_agm005667306
_cell_length_a 6.21214
_cell_length_b 6.21214
_cell_length_c 9.63890
_cell_angle_alpha 100.79128
_cell_angle_beta 100.79128
_cell_angle_gamma 114.76980
_cell_volume 316.71667
_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
Pm1 Pm 0.25000 0.75000 0.50000 1.00000
Pm2 Pm 0.74882 0.74882 0.00000 1.00000
Pm3 Pm 0.75000 0.25000 0.50000 1.00000
Pm4 Pm 0.25118 0.25118 1.00000 1.00000
Mg1 Mg 0.66395 0.16860 0.83255 1.00000
Mg2 Mg 0.83140 0.33605 0.16745 1.00000
Mg3 Mg 0.33605 0.83140 0.16745 1.00000
Mg4 Mg 0.16860 0.66395 0.83255 1.00000
Mg5 Mg 0.83255 0.83255 0.66511 1.00000
Mg6 Mg 0.16745 0.16745 0.33489 1.00000
Cd1 Cd 0.33350 0.33350 0.66700 1.00000
Cd2 Cd 0.66650 0.66650 0.33300 1.00000
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