RbCrH8(NO4)2
Alexandria ALEXAlex-ID: agm005269673 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8E8_3_spg121
RbNO3 RbN6 CrHO2 H2O N2
2023-05-08 01:45:29.751749
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005269673).
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 agm005269673
data_agm005269673
_cell_length_a 6.72681
_cell_length_b 6.72681
_cell_length_c 6.72681
_cell_angle_alpha 118.91410
_cell_angle_beta 118.91410
_cell_angle_gamma 91.89135
_cell_volume 218.63904
_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
Rb1 Rb 0.50000 0.50000 0.00000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
H1 H 0.18795 0.77873 0.34388 1.00000
H2 H 0.43486 0.84408 0.65612 1.00000
H3 H 0.15592 0.81205 0.59078 1.00000
H4 H 0.56514 0.22127 0.40922 1.00000
H5 H 0.22127 0.56514 0.40922 1.00000
H6 H 0.81205 0.15592 0.59078 1.00000
H7 H 0.77873 0.18795 0.34388 1.00000
H8 H 0.84408 0.43486 0.65612 1.00000
N1 N 0.25000 0.75000 0.50000 1.00000
N2 N 0.75000 0.25000 0.50000 1.00000
O1 O 0.99897 0.71309 0.00000 1.00000
O2 O 0.71309 0.99897 0.00000 1.00000
O3 O 0.00103 0.00103 0.71412 1.00000
O4 O 0.28691 0.28691 0.28588 1.00000
O5 O 0.20095 0.79601 0.00000 1.00000
O6 O 0.79601 0.20095 0.00000 1.00000
O7 O 0.79905 0.79905 0.59507 1.00000
O8 O 0.20399 0.20399 0.40493 1.00000
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