NdTa(H4Pt)2
Alexandria ALEXAlex-ID: agm007399698 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_303_spg148
TaH5 NdH5Pt TaPt2 H2
2024-02-08 05:18:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007399698).
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 agm007399698
data_agm007399698
_cell_length_a 5.11394
_cell_length_b 4.95875
_cell_length_c 5.92810
_cell_angle_alpha 68.68591
_cell_angle_beta 66.80653
_cell_angle_gamma 53.64788
_cell_volume 109.55827
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Ta1 Ta 0.50000 0.50000 0.50000 1.00000
H1 H 0.15707 0.94814 0.58604 1.00000
H2 H 0.43678 0.47551 0.19403 1.00000
H3 H 0.84293 0.05186 0.41396 1.00000
H4 H 0.89515 0.44785 0.21256 1.00000
H5 H 0.10485 0.55215 0.78744 1.00000
H6 H 0.45739 0.89530 0.20487 1.00000
H7 H 0.54261 0.10470 0.79513 1.00000
H8 H 0.56322 0.52449 0.80597 1.00000
Pt1 Pt 0.23625 0.23954 0.36149 1.00000
Pt2 Pt 0.76375 0.76046 0.63851 1.00000
Get direct link