TbNb(H3Pt)2
Alexandria ALEXAlex-ID: agm007708702 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_484_spg15
TbH5Pt NbPt2 NbH2
2024-03-05 17:24:45.454745
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007708702).
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 agm007708702
data_agm007708702
_cell_length_a 5.98457
_cell_length_b 5.98457
_cell_length_c 7.24996
_cell_angle_alpha 67.46870
_cell_angle_beta 67.46870
_cell_angle_gamma 104.14294
_cell_volume 196.87382
_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 0.37345 0.62655 0.75000 1.00000
Tb2 Tb 0.62655 0.37345 0.25000 1.00000
Nb1 Nb 0.80579 0.19421 0.75000 1.00000
Nb2 Nb 0.19421 0.80579 0.25000 1.00000
H1 H 0.39914 0.91332 0.90971 1.00000
H2 H 0.08668 0.60086 0.59029 1.00000
H3 H 0.60086 0.08668 0.09029 1.00000
H4 H 0.91332 0.39914 0.40971 1.00000
H5 H 0.33240 0.20310 0.11977 1.00000
H6 H 0.79690 0.66760 0.38023 1.00000
H7 H 0.66760 0.79690 0.88023 1.00000
H8 H 0.20310 0.33240 0.61977 1.00000
H9 H 0.57496 0.31793 0.63514 1.00000
H10 H 0.68207 0.42504 0.86486 1.00000
H11 H 0.42504 0.68207 0.36486 1.00000
H12 H 0.31793 0.57496 0.13514 1.00000
Pt1 Pt 0.08162 0.24084 0.29476 1.00000
Pt2 Pt 0.75916 0.91838 0.20524 1.00000
Pt3 Pt 0.91838 0.75916 0.70524 1.00000
Pt4 Pt 0.24084 0.08162 0.79476 1.00000
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