TbZn(H4Pt)2
Alexandria ALEXAlex-ID: agm007620779 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1474_spg2
TbH5Pt H2 ZnPt
2024-03-06 00:44:36.134430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007620779).
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
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# CIF generated by HEAS from Alexandria entry agm007620779
data_agm007620779
_cell_length_a 4.59979
_cell_length_b 6.17914
_cell_length_c 5.48025
_cell_angle_alpha 69.74765
_cell_angle_beta 65.25845
_cell_angle_gamma 91.39435
_cell_volume 130.07629
_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 0.90584 0.44032 0.56081 1.00000
Zn1 Zn 0.08162 0.96972 0.07445 1.00000
H1 H 0.74496 0.73785 0.27407 1.00000
H2 H 0.45237 0.44458 0.16729 1.00000
H3 H 0.38872 0.40154 0.61163 1.00000
H4 H 0.93531 0.22180 0.29278 1.00000
H5 H 0.00695 0.65050 0.82080 1.00000
H6 H 0.28760 0.79329 0.24497 1.00000
H7 H 0.83508 0.01274 0.75677 1.00000
H8 H 0.51365 0.70270 0.75545 1.00000
Pt1 Pt 0.64428 0.73342 0.99102 1.00000
Pt2 Pt 0.20361 0.39153 0.94995 1.00000
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