CdHNO4
Alexandria ALEXAlex-ID: agm007654911 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_139_spg14
CdHNO4
2025-02-02 05:38:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007654911).
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 agm007654911
data_agm007654911
_cell_length_a 6.38273
_cell_length_b 7.38384
_cell_length_c 7.69714
_cell_angle_alpha 90.00000
_cell_angle_beta 113.02326
_cell_angle_gamma 90.00000
_cell_volume 333.86411
_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
Cd1 Cd 0.49095 0.32212 0.64653 1.00000
Cd2 Cd 0.50905 0.82212 0.85347 1.00000
Cd3 Cd 0.50905 0.67788 0.35347 1.00000
Cd4 Cd 0.49095 0.17788 0.14653 1.00000
H1 H 0.75344 0.13276 0.93527 1.00000
H2 H 0.24656 0.63276 0.56473 1.00000
H3 H 0.24656 0.86724 0.06473 1.00000
H4 H 0.75344 0.36724 0.43527 1.00000
N1 N 0.07229 0.15213 0.39681 1.00000
N2 N 0.92771 0.65213 0.10319 1.00000
N3 N 0.92771 0.84787 0.60319 1.00000
N4 N 0.07229 0.34787 0.89681 1.00000
O1 O 0.26748 0.08914 0.42003 1.00000
O2 O 0.73252 0.58914 0.07997 1.00000
O3 O 0.73252 0.91086 0.57997 1.00000
O4 O 0.26748 0.41086 0.92003 1.00000
O5 O 0.06251 0.29266 0.48933 1.00000
O6 O 0.93749 0.79266 0.01067 1.00000
O7 O 0.93749 0.70734 0.51067 1.00000
O8 O 0.06251 0.20734 0.98933 1.00000
O9 O 0.89506 0.07463 0.28620 1.00000
O10 O 0.10494 0.57463 0.21380 1.00000
O11 O 0.10494 0.92537 0.71380 1.00000
O12 O 0.89506 0.42537 0.78620 1.00000
O13 O 0.41445 0.62528 0.61492 1.00000
O14 O 0.58555 0.12528 0.88508 1.00000
O15 O 0.58555 0.37472 0.38508 1.00000
O16 O 0.41445 0.87472 0.11492 1.00000
