NbCoAs2(HO5)2
Alexandria ALEXAlex-ID: agm006316992 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E10_3_spg2
NbAsO5 CoHO2 CoO8 Co(AsO3)2 H2O
2024-05-11 11:28:17.079449
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006316992).
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 agm006316992
data_agm006316992
_cell_length_a 5.28058
_cell_length_b 5.47906
_cell_length_c 7.54539
_cell_angle_alpha 106.05018
_cell_angle_beta 110.41437
_cell_angle_gamma 92.82533
_cell_volume 194.03101
_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
Nb1 Nb 0.50000 0.50000 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
As1 As 0.63258 0.92417 0.23789 1.00000
As2 As 0.36742 0.07583 0.76211 1.00000
H1 H 0.04886 0.48636 0.19995 1.00000
H2 H 0.95114 0.51364 0.80005 1.00000
O1 O 0.82852 0.63407 0.75859 1.00000
O2 O 0.17148 0.36593 0.24141 1.00000
O3 O 0.69606 0.24236 0.38132 1.00000
O4 O 0.30394 0.75764 0.61868 1.00000
O5 O 0.35459 0.24397 0.59807 1.00000
O6 O 0.64541 0.75603 0.40193 1.00000
O7 O 0.90042 0.84217 0.16489 1.00000
O8 O 0.09958 0.15783 0.83511 1.00000
O9 O 0.32146 0.83453 0.04294 1.00000
O10 O 0.67854 0.16547 0.95706 1.00000
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