CaHo2Pt3
Alexandria ALEXAlex-ID: agm034889528 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6522_spg2
CaHoPt2 HoPt
2025-04-15 04:47:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034889528).
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 agm034889528
data_agm034889528
_cell_length_a 7.81353
_cell_length_b 8.82181
_cell_length_c 8.97303
_cell_angle_alpha 119.52112
_cell_angle_beta 93.28921
_cell_angle_gamma 90.14464
_cell_volume 536.98338
_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 0.97726 0.28039 0.31053 1.00000
Ca2 Ca 0.02274 0.71961 0.68947 1.00000
Ca3 Ca 0.35821 0.55280 0.35954 1.00000
Ca4 Ca 0.64179 0.44720 0.64046 1.00000
Ho1 Ho 0.69549 0.38636 0.02649 1.00000
Ho2 Ho 0.97243 0.77927 0.30566 1.00000
Ho3 Ho 0.02757 0.22073 0.69434 1.00000
Ho4 Ho 0.30451 0.61364 0.97351 1.00000
Ho5 Ho 0.30712 0.10954 0.97379 1.00000
Ho6 Ho 0.36200 0.05721 0.36220 1.00000
Ho7 Ho 0.63800 0.94279 0.63780 1.00000
Ho8 Ho 0.69288 0.89046 0.02621 1.00000
Pt1 Pt 0.90824 0.08182 0.91103 1.00000
Pt2 Pt 0.91349 0.58778 0.92571 1.00000
Pt3 Pt 0.09176 0.91818 0.08897 1.00000
Pt4 Pt 0.08651 0.41222 0.07429 1.00000
Pt5 Pt 0.24476 0.92170 0.57749 1.00000
Pt6 Pt 0.25412 0.41467 0.59727 1.00000
Pt7 Pt 0.42197 0.25037 0.76465 1.00000
Pt8 Pt 0.41745 0.76059 0.75927 1.00000
Pt9 Pt 0.57803 0.74963 0.23535 1.00000
Pt10 Pt 0.58255 0.23941 0.24073 1.00000
Pt11 Pt 0.75524 0.07830 0.42251 1.00000
Pt12 Pt 0.74588 0.58533 0.40273 1.00000
