TbZn(H3Pt)2
Alexandria ALEXAlex-ID: agm007998533 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1205_spg15
TbH5Pt H2 ZnPt
2024-03-16 01:06:04.690793
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007998533).
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 agm007998533
data_agm007998533
_cell_length_a 7.16784
_cell_length_b 7.16784
_cell_length_c 4.36018
_cell_angle_alpha 90.35827
_cell_angle_beta 90.35827
_cell_angle_gamma 116.21040
_cell_volume 200.96910
_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
Tb1 Tb 0.67663 0.32337 0.25000 1.00000
Tb2 Tb 0.32337 0.67663 0.75000 1.00000
Zn1 Zn 0.06941 0.93059 0.25000 1.00000
Zn2 Zn 0.93059 0.06941 0.75000 1.00000
H1 H 0.70237 0.05048 0.53450 1.00000
H2 H 0.94952 0.29763 0.96550 1.00000
H3 H 0.29763 0.94952 0.46550 1.00000
H4 H 0.05048 0.70237 0.03450 1.00000
H5 H 0.66263 0.62977 0.51998 1.00000
H6 H 0.37023 0.33737 0.98002 1.00000
H7 H 0.33737 0.37023 0.48002 1.00000
H8 H 0.62977 0.66263 0.01998 1.00000
H9 H 0.44661 0.85735 0.20781 1.00000
H10 H 0.14265 0.55339 0.29219 1.00000
H11 H 0.55339 0.14265 0.79219 1.00000
H12 H 0.85735 0.44661 0.70781 1.00000
Pt1 Pt 0.85747 0.67334 0.78257 1.00000
Pt2 Pt 0.32666 0.14253 0.71743 1.00000
Pt3 Pt 0.14253 0.32666 0.21743 1.00000
Pt4 Pt 0.67334 0.85747 0.28257 1.00000
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