K4CrIn3(P2O7)4
Alexandria ALEXAlex-ID: agm011022467 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8E28_3_spg1
KCrP2O7 KInP2O7
2024-11-18 00:05:30.452909
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011022467).
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 agm011022467
data_agm011022467
_cell_length_a 7.81080
_cell_length_b 8.40154
_cell_length_c 9.97543
_cell_angle_alpha 90.29819
_cell_angle_beta 112.63983
_cell_angle_gamma 89.98176
_cell_volume 604.16332
_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
K1 K 0.71727 0.52660 0.69313 1.00000
K2 K 0.28810 0.02184 0.80666 1.00000
K3 K 0.28531 0.47220 0.30543 1.00000
K4 K 0.70627 0.97281 0.19095 1.00000
Cr1 Cr 0.25135 0.00950 0.24990 1.00000
In1 In 0.74186 0.51001 0.24985 1.00000
In2 In 0.74334 0.99156 0.74727 1.00000
In3 In 0.26002 0.48807 0.75127 1.00000
P1 P 0.06654 0.24612 0.96190 1.00000
P2 P 0.94483 0.75028 0.54387 1.00000
P3 P 0.94369 0.75510 0.04775 1.00000
P4 P 0.05556 0.24131 0.45092 1.00000
P5 P 0.67721 0.28811 0.95184 1.00000
P6 P 0.32544 0.79005 0.54178 1.00000
P7 P 0.32321 0.71808 0.05337 1.00000
P8 P 0.66747 0.21020 0.44820 1.00000
O1 O 0.68345 0.30462 0.10616 1.00000
O2 O 0.30734 0.81344 0.38471 1.00000
O3 O 0.31138 0.70221 0.89694 1.00000
O4 O 0.69027 0.19849 0.60725 1.00000
O5 O 0.17766 0.20728 0.12219 1.00000
O6 O 0.83022 0.71975 0.38303 1.00000
O7 O 0.83041 0.78546 0.88692 1.00000
O8 O 0.16864 0.27300 0.61291 1.00000
O9 O 0.53933 0.40182 0.84386 1.00000
O10 O 0.46808 0.89906 0.65129 1.00000
O11 O 0.46766 0.60907 0.15935 1.00000
O12 O 0.51872 0.09941 0.34624 1.00000
O13 O 0.00584 0.09656 0.86793 1.00000
O14 O 0.00166 0.59519 0.63031 1.00000
O15 O 0.00667 0.90971 0.13697 1.00000
O16 O 0.00188 0.39624 0.36466 1.00000
O17 O 0.87692 0.34202 0.94946 1.00000
O18 O 0.13256 0.84453 0.55685 1.00000
O19 O 0.12884 0.65649 0.06040 1.00000
O20 O 0.86126 0.15149 0.43494 1.00000
O21 O 0.64583 0.11282 0.90340 1.00000
O22 O 0.35320 0.61320 0.58616 1.00000
O23 O 0.34358 0.89399 0.10372 1.00000
O24 O 0.64184 0.38610 0.40152 1.00000
O25 O 0.17016 0.36332 0.90451 1.00000
O26 O 0.84572 0.86351 0.60790 1.00000
O27 O 0.83986 0.64439 0.10946 1.00000
O28 O 0.15354 0.12500 0.38686 1.00000
