Ca2TbPt3
Alexandria ALEXAlex-ID: agm005707758 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_906_spg65
Ca2Pt3 CaTbPt2 Ca3Pt2
2023-08-29 12:04:24.093027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707758).
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 agm005707758
data_agm005707758
_cell_length_a 4.93304
_cell_length_b 7.82096
_cell_length_c 7.03875
_cell_angle_alpha 89.99721
_cell_angle_beta 89.99117
_cell_angle_gamma 71.61664
_cell_volume 257.70426
_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 0.33354 0.33292 0.50000 1.00000
Ca4 Ca 0.66646 0.66708 0.50000 1.00000
Tb1 Tb 0.33711 0.32578 1.00000 1.00000
Tb2 Tb 0.66289 0.67422 0.00000 1.00000
Pt1 Pt 0.82754 0.34474 0.76588 1.00000
Pt2 Pt 0.49961 1.00000 0.24521 1.00000
Pt3 Pt 0.17246 0.65526 0.23412 1.00000
Pt4 Pt 0.82772 0.34474 0.23412 1.00000
Pt5 Pt 0.17228 0.65526 0.76588 1.00000
Pt6 Pt 0.50040 0.00000 0.75479 1.00000
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