Ca2YPt3
Alexandria ALEXAlex-ID: agm005706532 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_906_spg65
Ca2Pt3 CaYPt2 Ca3Pt2
2023-08-29 12:06:26.882112
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706532).
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 agm005706532
data_agm005706532
_cell_length_a 4.92873
_cell_length_b 7.81324
_cell_length_c 7.04050
_cell_angle_alpha 89.99886
_cell_angle_beta 89.99637
_cell_angle_gamma 71.61447
_cell_volume 257.28585
_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
Ca2 Ca 0.00000 0.00000 0.50000 1.00000
Ca3 Ca 0.33343 0.33314 0.50000 1.00000
Ca4 Ca 0.66657 0.66686 0.50000 1.00000
Y1 Y 0.33696 0.32609 1.00000 1.00000
Y2 Y 0.66304 0.67391 0.00000 1.00000
Pt1 Pt 0.82772 0.34439 0.76518 1.00000
Pt2 Pt 0.49961 1.00000 0.24576 1.00000
Pt3 Pt 0.17228 0.65561 0.23482 1.00000
Pt4 Pt 0.82789 0.34439 0.23482 1.00000
Pt5 Pt 0.17211 0.65561 0.76518 1.00000
Pt6 Pt 0.50040 0.00000 0.75424 1.00000
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