CsK3CrO4
Alexandria ALEXAlex-ID: agm021762003 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D4_29_spg2
CsK3CrO4
2024-12-23 05:20:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021762003).
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 agm021762003
data_agm021762003
_cell_length_a 6.92081
_cell_length_b 9.46869
_cell_length_c 12.69032
_cell_angle_alpha 80.42838
_cell_angle_beta 75.72398
_cell_angle_gamma 79.14746
_cell_volume 785.21439
_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
Cs1 Cs 0.99377 0.11129 0.61673 1.00000
Cs2 Cs 0.00623 0.88871 0.38327 1.00000
Cs3 Cs 0.08353 0.36913 0.83528 1.00000
Cs4 Cs 0.91647 0.63087 0.16472 1.00000
K1 K 0.19935 0.15053 0.14308 1.00000
K2 K 0.80065 0.84947 0.85692 1.00000
K3 K 0.48566 0.66307 0.39337 1.00000
K4 K 0.51434 0.33693 0.60663 1.00000
K5 K 0.18781 0.43322 0.40081 1.00000
K6 K 0.53635 0.42890 0.12447 1.00000
K7 K 0.23486 0.94758 0.89869 1.00000
K8 K 0.76514 0.05242 0.10131 1.00000
K9 K 0.54490 0.94557 0.63440 1.00000
K10 K 0.45510 0.05443 0.36560 1.00000
K11 K 0.46365 0.57110 0.87553 1.00000
K12 K 0.81219 0.56678 0.59919 1.00000
Cr1 Cr 0.16749 0.73088 0.63743 1.00000
Cr2 Cr 0.83251 0.26912 0.36257 1.00000
Cr3 Cr 0.62730 0.21802 0.85754 1.00000
Cr4 Cr 0.37270 0.78198 0.14246 1.00000
O1 O 0.31354 0.85044 0.53328 1.00000
O2 O 0.68646 0.14956 0.46672 1.00000
O3 O 0.50701 0.11787 0.78818 1.00000
O4 O 0.49299 0.88213 0.21182 1.00000
O5 O 0.21441 0.73892 0.77023 1.00000
O6 O 0.78559 0.26108 0.22977 1.00000
O7 O 0.86087 0.11101 0.88620 1.00000
O8 O 0.13913 0.88899 0.11380 1.00000
O9 O 0.70381 0.37364 0.76023 1.00000
O10 O 0.29619 0.62636 0.23977 1.00000
O11 O 0.54126 0.71391 0.02148 1.00000
O12 O 0.45874 0.28609 0.97852 1.00000
O13 O 0.90078 0.80273 0.64353 1.00000
O14 O 0.78994 0.44762 0.40971 1.00000
O15 O 0.09922 0.19727 0.35647 1.00000
O16 O 0.21006 0.55238 0.59029 1.00000
