KSr4(FeP)10
Alexandria ALEXAlex-ID: agm021015581 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10D10_3_spg87
KSr(FeP)4 Sr(FeP)2
2024-09-13 12:44:18.768245
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021015581).
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 agm021015581
data_agm021015581
_cell_length_a 8.33841
_cell_length_b 8.33841
_cell_length_c 8.33841
_cell_angle_alpha 118.64320
_cell_angle_beta 118.64320
_cell_angle_gamma 92.36656
_cell_volume 417.97510
_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 0.00000 0.00000 0.00000 1.00000
Sr1 Sr 0.60522 0.80230 0.40752 1.00000
Sr2 Sr 0.19770 0.60522 0.80292 1.00000
Sr3 Sr 0.80230 0.39478 0.19708 1.00000
Sr4 Sr 0.39478 0.19770 0.59248 1.00000
Fe1 Fe 0.05095 0.15113 0.70026 1.00000
Fe2 Fe 0.64931 0.94905 0.10018 1.00000
Fe3 Fe 0.25000 0.75000 0.50000 1.00000
Fe4 Fe 0.84887 0.54913 0.89982 1.00000
Fe5 Fe 0.45087 0.35069 0.29974 1.00000
Fe6 Fe 0.35069 0.05095 0.89982 1.00000
Fe7 Fe 0.94905 0.84887 0.29974 1.00000
Fe8 Fe 0.54913 0.64931 0.70026 1.00000
Fe9 Fe 0.15113 0.45087 0.10018 1.00000
Fe10 Fe 0.75000 0.25000 0.50000 1.00000
P1 P 0.05511 0.85489 0.59940 1.00000
P2 P 0.65386 0.65386 0.00000 1.00000
P3 P 0.25549 0.45571 0.40060 1.00000
P4 P 0.85489 0.25549 0.79978 1.00000
P5 P 0.45571 0.05511 0.20022 1.00000
P6 P 0.34614 0.34614 0.00000 1.00000
P7 P 0.94489 0.14511 0.40060 1.00000
P8 P 0.54429 0.94489 0.79978 1.00000
P9 P 0.14511 0.74451 0.20022 1.00000
P10 P 0.74451 0.54429 0.59940 1.00000
