Sr4Ca4Cr3Cu4NiO22
Alexandria ALEXAlex-ID: agm010374192 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D4E4F22_2_spg1
Sr18Ca3Cr14O56 CaCu3O4 Sr(CuO2)2 SrCrO4 CaO NiO
2024-07-12 15:33:33.580362
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010374192).
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 agm010374192
data_agm010374192
_cell_length_a 5.58096
_cell_length_b 5.62590
_cell_length_c 16.65331
_cell_angle_alpha 95.26151
_cell_angle_beta 91.62620
_cell_angle_gamma 89.87033
_cell_volume 520.46669
_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
Sr1 Sr 0.47995 0.01562 0.00652 1.00000
Sr2 Sr 0.97818 0.51302 0.00122 1.00000
Sr3 Sr 0.49622 0.93070 0.50819 1.00000
Sr4 Sr 0.02208 0.42460 0.53346 1.00000
Ca1 Ca 0.43503 0.94002 0.81070 1.00000
Ca2 Ca 0.93464 0.46457 0.79094 1.00000
Ca3 Ca 0.50432 0.07743 0.20586 1.00000
Ca4 Ca 0.98335 0.56588 0.20632 1.00000
Cr1 Cr 0.50975 0.54665 0.64575 1.00000
Cr2 Cr 0.09422 0.01929 0.32625 1.00000
Cr3 Cr 0.61212 0.47194 0.38988 1.00000
Cu1 Cu 0.96130 0.97725 0.88380 1.00000
Cu2 Cu 0.46484 0.48292 0.89678 1.00000
Cu3 Cu 0.98941 0.04306 0.11086 1.00000
Cu4 Cu 0.48516 0.54552 0.11064 1.00000
Ni1 Ni 0.98084 0.95247 0.66462 1.00000
O1 O 0.21258 0.24418 0.89076 1.00000
O2 O 0.71327 0.73090 0.90352 1.00000
O3 O 0.23344 0.73810 0.91074 1.00000
O4 O 0.70410 0.22994 0.88933 1.00000
O5 O 0.23968 0.29412 0.10904 1.00000
O6 O 0.73480 0.79491 0.11229 1.00000
O7 O 0.23441 0.79323 0.11043 1.00000
O8 O 0.74065 0.29476 0.11198 1.00000
O9 O 0.02820 0.86438 0.77211 1.00000
O10 O 0.51792 0.55734 0.74899 1.00000
O11 O 0.82762 0.92131 0.28995 1.00000
O12 O 0.64029 0.42859 0.28922 1.00000
O13 O 0.41322 0.29632 0.59189 1.00000
O14 O 0.74341 0.71724 0.60884 1.00000
O15 O 0.27059 0.74535 0.62142 1.00000
O16 O 0.89267 0.26969 0.66254 1.00000
O17 O 0.15779 0.26480 0.28254 1.00000
O18 O 0.80376 0.67579 0.43077 1.00000
O19 O 0.28750 0.81892 0.28706 1.00000
O20 O 0.68805 0.22812 0.43331 1.00000
O21 O 0.13761 0.06226 0.42653 1.00000
O22 O 0.34704 0.55880 0.42493 1.00000
