LiSc(ZnH4)2
Alexandria ALEXAlex-ID: agm007744569 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1152_spg1
ScH3 LiH ZnH2
2024-02-09 06:24:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007744569).
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 agm007744569
data_agm007744569
_cell_length_a 4.92804
_cell_length_b 4.96081
_cell_length_c 5.89997
_cell_angle_alpha 87.53195
_cell_angle_beta 69.90223
_cell_angle_gamma 62.70050
_cell_volume 119.22830
_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
Li1 Li 0.20329 0.63680 0.05880 1.00000
Sc1 Sc 0.57061 0.52940 0.49148 1.00000
Zn1 Zn 0.25069 0.15925 0.30190 1.00000
Zn2 Zn 0.74857 0.90279 0.69658 1.00000
H1 H 0.96198 0.27529 0.57670 1.00000
H2 H 0.42950 0.78757 0.23452 1.00000
H3 H 0.79471 0.79746 0.40976 1.00000
H4 H 0.47977 0.32754 0.24379 1.00000
H5 H 0.52063 0.71862 0.80321 1.00000
H6 H 0.97031 0.34340 0.16807 1.00000
H7 H 0.08619 0.74543 0.75360 1.00000
H8 H 0.48376 0.27647 0.76159 1.00000
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