Ca2PrMg9
Alexandria ALEXAlex-ID: agm003540211 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_0_spg166
Pr5Mg41 PrMg3 CaMg2
2022-03-18 22:57:27.208684
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003540211).
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 agm003540211
data_agm003540211
_cell_length_a 6.14941
_cell_length_b 6.14941
_cell_length_c 10.54069
_cell_angle_alpha 73.04033
_cell_angle_beta 73.04033
_cell_angle_gamma 60.00000
_cell_volume 325.02584
_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 0.85785 0.85785 0.42645 1.00000
Ca2 Ca 0.14215 0.14215 0.57355 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.66640 0.66640 0.00079 1.00000
Mg2 Mg 0.33360 0.33360 0.99921 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Mg4 Mg 0.41590 0.41590 0.24811 1.00000
Mg5 Mg 0.92010 0.41590 0.24811 1.00000
Mg6 Mg 0.41590 0.92010 0.24811 1.00000
Mg7 Mg 0.58410 0.58410 0.75189 1.00000
Mg8 Mg 0.58410 0.07990 0.75189 1.00000
Mg9 Mg 0.07990 0.58410 0.75189 1.00000
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