Tm3CdPt4
Alexandria ALEXAlex-ID: agm006066331 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_767_spg123
Cd4Pt Tm3Pt4 TmPt
2023-09-20 14:51:53.956753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006066331).
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 agm006066331
data_agm006066331
_cell_length_a 4.82504
_cell_length_b 6.79944
_cell_length_c 9.64793
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 316.52504
_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
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Tm2 Tm 0.00000 0.00000 0.50000 1.00000
Tm3 Tm 0.50041 0.00000 0.75000 1.00000
Tm4 Tm 0.49959 0.00000 0.25000 1.00000
Tm5 Tm 0.50040 0.50000 0.75000 1.00000
Tm6 Tm 0.49960 0.50000 0.25000 1.00000
Pt1 Pt 0.50000 0.75547 0.00000 1.00000
Pt2 Pt 0.50000 0.75547 0.50000 1.00000
Pt3 Pt 0.50000 0.24453 0.00000 1.00000
Pt4 Pt 0.50000 0.24453 0.50000 1.00000
Pt5 Pt 0.00063 0.75536 0.75000 1.00000
Pt6 Pt 0.99937 0.75536 0.25000 1.00000
Pt7 Pt 0.99937 0.24464 0.25000 1.00000
Pt8 Pt 0.00063 0.24464 0.75000 1.00000
Cd1 Cd 0.00000 0.50000 0.00000 1.00000
Cd2 Cd 0.00000 0.50000 0.50000 1.00000
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