Th2Nb2Ge2H
Alexandria ALEXAlex-ID: agm006559441 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_204_spg139
ThNbGe ThNbGeH
2024-03-01 12:28:35.261429
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006559441).
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 agm006559441
data_agm006559441
_cell_length_a 8.45618
_cell_length_b 8.45618
_cell_length_c 8.45618
_cell_angle_alpha 151.33290
_cell_angle_beta 151.33290
_cell_angle_gamma 40.98830
_cell_volume 138.85771
_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
Th1 Th 0.17223 0.17223 0.00000 1.00000
Th2 Th 0.82777 0.82777 0.00000 1.00000
Nb1 Nb 0.00000 0.50000 0.50000 1.00000
Nb2 Nb 0.50000 0.00000 0.50000 1.00000
Ge1 Ge 0.37803 0.37803 0.00000 1.00000
Ge2 Ge 0.62197 0.62197 0.00000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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