RbCr3B2As4(H4O11)2
Alexandria ALEXAlex-ID: agm006262913 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4E8F22_0_spg12
RbCrAs2(HO4)2 CrAsO4 B(HO)3
2024-12-10 23:04:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006262913).
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 agm006262913
data_agm006262913
_cell_length_a 10.73609
_cell_length_b 10.73609
_cell_length_c 5.12979
_cell_angle_alpha 80.49044
_cell_angle_beta 99.50956
_cell_angle_gamma 55.14766
_cell_volume 453.26133
_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 0.00000 0.00000 0.50000 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.50000 0.50000 1.00000
Cr3 Cr 0.50000 0.50000 0.00000 1.00000
B1 B 0.16392 0.16392 0.00000 1.00000
B2 B 0.83608 0.83608 0.00000 1.00000
As1 As 0.43124 0.85071 0.02103 1.00000
As2 As 0.14929 0.56876 0.02103 1.00000
As3 As 0.56876 0.14929 0.97897 1.00000
As4 As 0.85071 0.43124 0.97897 1.00000
H1 H 0.22377 0.26428 0.25123 1.00000
H2 H 0.73572 0.77623 0.25123 1.00000
H3 H 0.77623 0.73572 0.74877 1.00000
H4 H 0.26428 0.22377 0.74877 1.00000
H5 H 0.40241 0.67819 0.48864 1.00000
H6 H 0.32181 0.59759 0.48864 1.00000
H7 H 0.59759 0.32181 0.51136 1.00000
H8 H 0.67819 0.40241 0.51136 1.00000
O1 O 0.26607 0.15260 0.25190 1.00000
O2 O 0.84740 0.73393 0.25190 1.00000
O3 O 0.73393 0.84740 0.74810 1.00000
O4 O 0.15260 0.26607 0.74810 1.00000
O5 O 0.23049 0.00020 0.98976 1.00000
O6 O 0.99980 0.76951 0.98976 1.00000
O7 O 0.76951 0.99980 0.01024 1.00000
O8 O 0.00020 0.23049 0.01024 1.00000
O9 O 0.54367 0.14003 0.29788 1.00000
O10 O 0.85997 0.45633 0.29788 1.00000
O11 O 0.45633 0.85997 0.70212 1.00000
O12 O 0.14003 0.54367 0.70212 1.00000
O13 O 0.55576 0.86635 0.24660 1.00000
O14 O 0.13365 0.44424 0.24660 1.00000
O15 O 0.44424 0.13365 0.75340 1.00000
O16 O 0.86635 0.55576 0.75340 1.00000
O17 O 0.46361 0.67475 0.15846 1.00000
O18 O 0.32525 0.53639 0.15846 1.00000
O19 O 0.53639 0.32525 0.84154 1.00000
O20 O 0.67475 0.46361 0.84154 1.00000
O21 O 0.34641 0.65359 0.59865 1.00000
O22 O 0.65359 0.34641 0.40135 1.00000
