KP4H7
Alexandria ALEXAlex-ID: agm007337993 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_255_spg2
KPH2 PH3 K3P7
2025-01-15 18:36:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007337993).
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 agm007337993
data_agm007337993
_cell_length_a 7.16184
_cell_length_b 6.70387
_cell_length_c 5.90405
_cell_angle_alpha 75.00482
_cell_angle_beta 120.46345
_cell_angle_gamma 124.20072
_cell_volume 201.94501
_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 0.03634 0.03933 0.00876 1.00000
P1 P 0.33087 0.19379 0.64939 1.00000
P2 P 0.45500 0.86090 0.31144 1.00000
P3 P 0.53561 0.67998 0.13400 1.00000
P4 P 0.73965 0.35044 0.84520 1.00000
H1 H 0.29208 0.57995 0.91069 1.00000
H2 H 0.82781 0.56637 0.70296 1.00000
H3 H 0.82302 0.48481 0.06441 1.00000
H4 H 0.46359 0.46610 0.28654 1.00000
H5 H 0.28411 0.96036 0.62421 1.00000
H6 H 0.51040 0.74428 0.55773 1.00000
H7 H 0.70153 0.07370 0.40467 1.00000
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