Sr2InP2
Alexandria ALEXAlex-ID: agm005507151 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1247_spg15
Sr3InP3 In
2023-03-20 12:23:45.729702
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507151).
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
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# CIF generated by HEAS from Alexandria entry agm005507151
data_agm005507151
_cell_length_a 6.30605
_cell_length_b 6.30605
_cell_length_c 8.24322
_cell_angle_alpha 74.15917
_cell_angle_beta 74.15917
_cell_angle_gamma 55.62560
_cell_volume 257.34989
_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 0.50615 0.78147 0.35303 1.00000
Sr2 Sr 0.21853 0.49385 0.14697 1.00000
Sr3 Sr 0.49385 0.21853 0.64697 1.00000
Sr4 Sr 0.78147 0.50615 0.85303 1.00000
In1 In 0.84471 0.15529 0.25000 1.00000
In2 In 0.15529 0.84471 0.75000 1.00000
P1 P 0.71673 0.98761 0.99400 1.00000
P2 P 0.01239 0.28327 0.50600 1.00000
P3 P 0.28327 0.01239 0.00600 1.00000
P4 P 0.98761 0.71673 0.49400 1.00000
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