Na2PrH7
Alexandria ALEXAlex-ID: agm006203386 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_779_spg3
NaH7 PrH3 NaH
2024-02-07 05:29:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006203386).
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 agm006203386
data_agm006203386
_cell_length_a 6.76488
_cell_length_b 6.19202
_cell_length_c 5.71527
_cell_angle_alpha 117.50632
_cell_angle_beta 32.37648
_cell_angle_gamma 112.96015
_cell_volume 113.70433
_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
Pr1 Pr 0.97309 0.40569 0.96343 1.00000
H1 H 0.97311 0.77768 0.33023 1.00000
H2 H 0.97292 0.03379 0.95840 1.00000
H3 H 0.47333 0.40575 0.72777 1.00000
H4 H 0.08092 0.40581 0.42400 1.00000
H5 H 0.47301 0.61772 0.40049 1.00000
H6 H 0.47293 0.19379 0.18844 1.00000
H7 H 0.86721 0.40571 0.63703 1.00000
Na1 Na 0.47251 0.01102 0.72221 1.00000
Na2 Na 0.47335 0.80043 0.11616 1.00000
Get direct link