CaPm5Pt6
Alexandria ALEXAlex-ID: agm006072244 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
CaPmPt2 PmPt
2023-08-20 12:00:47.627820
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006072244).
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 agm006072244
data_agm006072244
_cell_length_a 5.05707
_cell_length_b 8.74817
_cell_length_c 8.74817
_cell_angle_alpha 119.91387
_cell_angle_beta 106.81510
_cell_angle_gamma 106.81509
_cell_volume 273.79084
_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 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.25887 0.08610 0.43054 1.00000
Pt2 Pt 0.74113 0.56946 0.91390 1.00000
Pt3 Pt 0.76695 0.26637 0.26637 1.00000
Pt4 Pt 0.23305 0.73363 0.73363 1.00000
Pt5 Pt 0.25887 0.43054 0.08610 1.00000
Pt6 Pt 0.74113 0.91390 0.56946 1.00000
Pm1 Pm 0.50000 0.15937 0.84063 1.00000
Pm2 Pm 1.00000 0.33117 0.66883 1.00000
Pm3 Pm 0.50000 0.50000 0.50000 1.00000
Pm4 Pm 0.00000 0.66883 0.33117 1.00000
Pm5 Pm 0.50000 0.84063 0.15937 1.00000
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