KHo2(PN3)2
Alexandria ALEXAlex-ID: agm004576459 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_23_spg12
KN6 Ho3PN5 HoN K3P6N11
2022-06-24 07:41:48.067930
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004576459).
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 agm004576459
data_agm004576459
_cell_length_a 6.28498
_cell_length_b 6.43021
_cell_length_c 6.37175
_cell_angle_alpha 116.78699
_cell_angle_beta 89.95113
_cell_angle_gamma 60.79784
_cell_volume 192.43777
_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 0.50000 0.00000 0.50000 1.00000
Ho1 Ho 0.82406 0.35196 0.80438 1.00000
Ho2 Ho 0.17594 0.64804 0.19562 1.00000
P1 P 0.15648 0.68791 0.75255 1.00000
P2 P 0.84352 0.31209 0.24745 1.00000
N1 N 0.41015 0.59568 0.83113 1.00000
N2 N 0.00456 0.40533 0.16949 1.00000
N3 N 0.06603 0.86891 0.63006 1.00000
N4 N 0.99544 0.59467 0.83051 1.00000
N5 N 0.93397 0.13109 0.36994 1.00000
N6 N 0.58985 0.40432 0.16887 1.00000
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