Ca2Pm3Pr8
Alexandria ALEXAlex-ID: agm005607035 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_185_spg12
Pm2Pr Ca Pr
2023-06-15 14:32:42.850563
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607035).
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 agm005607035
data_agm005607035
_cell_length_a 6.46240
_cell_length_b 9.09919
_cell_length_c 9.09919
_cell_angle_alpha 81.69881
_cell_angle_beta 70.79920
_cell_angle_gamma 70.79944
_cell_volume 476.79006
_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 0.36683 0.28062 0.28062 1.00000
Ca2 Ca 0.63317 0.71938 0.71938 1.00000
Pm1 Pm 0.50000 0.00000 0.00000 1.00000
Pm2 Pm 1.00000 0.23488 0.76512 1.00000
Pm3 Pm 0.00000 0.76512 0.23488 1.00000
Pr1 Pr 0.20818 0.55125 0.55125 1.00000
Pr2 Pr 0.79182 0.44875 0.44875 1.00000
Pr3 Pr 0.96065 0.15379 0.15379 1.00000
Pr4 Pr 0.03935 0.84621 0.84621 1.00000
Pr5 Pr 0.67003 0.57528 0.09721 1.00000
Pr6 Pr 0.67003 0.09721 0.57528 1.00000
Pr7 Pr 0.32997 0.90279 0.42472 1.00000
Pr8 Pr 0.32997 0.42472 0.90279 1.00000
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