PmTa(ZnH4)2
Alexandria ALEXAlex-ID: agm007409827 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_38_spg12
TaH2 PmH3 Zn ZnH2
2025-05-27 09:03:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007409827).
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 agm007409827
data_agm007409827
_cell_length_a 4.90643
_cell_length_b 4.90540
_cell_length_c 5.87084
_cell_angle_alpha 98.97567
_cell_angle_beta 112.63446
_cell_angle_gamma 110.51946
_cell_volume 115.01697
_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
Pm1 Pm 0.86648 0.86669 0.99918 1.00000
Ta1 Ta 0.05543 0.55539 0.50027 1.00000
Zn1 Zn 0.40309 0.17234 0.60694 1.00000
Zn2 Zn 0.56520 0.79603 0.39253 1.00000
H1 H 0.19977 0.28833 0.35299 1.00000
H2 H 0.84009 0.41741 0.72873 1.00000
H3 H 0.93648 0.84841 0.64597 1.00000
H4 H 0.36669 0.88447 0.81598 1.00000
H5 H 0.68819 0.11209 0.27151 1.00000
H6 H 0.33359 0.44841 0.77816 1.00000
H7 H 0.67146 0.55568 0.22191 1.00000
H8 H 0.07351 0.55476 0.18581 1.00000
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