Ca2CdP3Pt7
Alexandria ALEXAlex-ID: agm020163976 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D7_19_spg119
CaPPt3 Cd2Pt P2Pt
2025-01-01 02:58:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020163976).
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 agm020163976
data_agm020163976
_cell_length_a 4.08322
_cell_length_b 4.08333
_cell_length_c 13.91124
_cell_angle_alpha 98.39573
_cell_angle_beta 98.40783
_cell_angle_gamma 89.99585
_cell_volume 226.93875
_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 0.33332 0.33378 0.66626 1.00000
Ca2 Ca 0.66666 0.66635 0.33375 1.00000
Cd1 Cd 0.49993 0.50004 0.99999 1.00000
P1 P 0.12373 0.12308 0.24799 1.00000
P2 P 0.87644 0.87671 0.75201 1.00000
P3 P 0.74975 0.25049 0.49998 1.00000
Pt1 Pt 0.57640 0.07609 0.15324 1.00000
Pt2 Pt 0.07726 0.57702 0.15531 1.00000
Pt3 Pt 0.42257 0.92312 0.84470 1.00000
Pt4 Pt 0.92355 0.42397 0.84677 1.00000
Pt5 Pt 0.20841 0.20762 0.41687 1.00000
Pt6 Pt 0.79198 0.79178 0.58312 1.00000
Pt7 Pt 0.00001 0.99998 0.00000 1.00000
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