Ca2HgPt
Alexandria ALEXAlex-ID: agm005106016 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_36_spg160
Ca3Pt2 Ca2HgPt2 CaHg
2022-07-06 12:08:35.190622
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005106016).
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 agm005106016
data_agm005106016
_cell_length_a 4.26776
_cell_length_b 4.26776
_cell_length_c 7.65950
_cell_angle_alpha 73.82379
_cell_angle_beta 73.82379
_cell_angle_gamma 60.00000
_cell_volume 114.39562
_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 0.06808 0.06808 0.79576 1.00000
Ca2 Ca 0.26481 0.26481 0.20556 1.00000
Hg1 Hg 0.50376 0.50376 0.48873 1.00000
Pt1 Pt 0.66335 0.66335 0.00996 1.00000
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