NdZn(CrH4)2
Alexandria ALEXAlex-ID: agm007246772 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1144_spg2
ZnH2 NdH3 H2 CrH
2024-07-09 21:14:55.149944
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007246772).
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 agm007246772
data_agm007246772
_cell_length_a 4.40438
_cell_length_b 4.95145
_cell_length_c 4.75117
_cell_angle_alpha 87.58709
_cell_angle_beta 90.33126
_cell_angle_gamma 92.85919
_cell_volume 103.39248
_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 0.99468 0.42845 0.61910 1.00000
Zn1 Zn 0.00308 0.91940 0.04407 1.00000
Cr1 Cr 0.51129 0.91136 0.75194 1.00000
Cr2 Cr 0.49320 0.06794 0.28157 1.00000
H1 H 0.46874 0.23088 0.58910 1.00000
H2 H 0.77707 0.91073 0.48245 1.00000
H3 H 0.66405 0.15653 0.95433 1.00000
H4 H 0.24578 0.85750 0.48997 1.00000
H5 H 0.22166 0.28536 0.18993 1.00000
H6 H 0.42297 0.78387 0.08711 1.00000
H7 H 0.51938 0.58021 0.77109 1.00000
H8 H 0.67811 0.36777 0.23932 1.00000
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