Ca5PrMg6
Alexandria ALEXAlex-ID: agm006113828 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
CaPrMg2 Ca CaMg2
2023-08-31 18:10:11.405287
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113828).
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 agm006113828
data_agm006113828
_cell_length_a 5.63081
_cell_length_b 7.80640
_cell_length_c 9.70429
_cell_angle_alpha 66.27860
_cell_angle_beta 73.50627
_cell_angle_gamma 89.99807
_cell_volume 371.27520
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Ca1 Ca 0.66637 0.16633 0.66726 1.00000
Ca2 Ca 0.33412 0.33395 0.33204 1.00000
Ca3 Ca 0.00000 0.50000 0.00000 1.00000
Ca4 Ca 0.66588 0.66605 0.66796 1.00000
Ca5 Ca 0.33363 0.83367 0.33274 1.00000
Mg1 Mg 0.83475 0.58755 0.33145 1.00000
Mg2 Mg 0.83464 0.08093 0.33183 1.00000
Mg3 Mg 0.50023 0.75412 0.99975 1.00000
Mg4 Mg 0.49977 0.24588 0.00025 1.00000
Mg5 Mg 0.16536 0.91907 0.66817 1.00000
Mg6 Mg 0.16525 0.41245 0.66855 1.00000
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