K3Ho2(PO4)3
Alexandria ALEXAlex-ID: agm011237446 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D12_23_spg9
K3Ho(PO4)2 HoPO4
2024-10-31 02:23:07.155002
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011237446).
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 agm011237446
data_agm011237446
_cell_length_a 9.46203
_cell_length_b 9.46203
_cell_length_c 9.67889
_cell_angle_alpha 61.46234
_cell_angle_beta 61.46234
_cell_angle_gamma 60.01476
_cell_volume 626.01300
_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 0.93268 0.61193 0.51107 1.00000
K2 K 0.61193 0.93268 0.01107 1.00000
K3 K 0.39920 0.59338 0.26550 1.00000
K4 K 0.59338 0.39920 0.76550 1.00000
K5 K 0.11207 0.25004 0.24936 1.00000
K6 K 0.25004 0.11207 0.74936 1.00000
Ho1 Ho 0.14222 0.66133 0.04918 1.00000
Ho2 Ho 0.66133 0.14222 0.54918 1.00000
Ho3 Ho 0.85118 0.35270 0.96493 1.00000
Ho4 Ho 0.35270 0.85118 0.46493 1.00000
P1 P 0.46358 0.24443 0.24787 1.00000
P2 P 0.24443 0.46358 0.74787 1.00000
P3 P 0.53906 0.75413 0.77448 1.00000
P4 P 0.75413 0.53906 0.27448 1.00000
P5 P 0.05487 0.95573 0.24885 1.00000
P6 P 0.95573 0.05487 0.74885 1.00000
O1 O 0.21657 0.92092 0.28349 1.00000
O2 O 0.92092 0.21657 0.78349 1.00000
O3 O 0.79505 0.08205 0.71994 1.00000
O4 O 0.08205 0.79505 0.21994 1.00000
O5 O 0.62299 0.26869 0.09479 1.00000
O6 O 0.26869 0.62299 0.59479 1.00000
O7 O 0.37587 0.74192 0.92643 1.00000
O8 O 0.74192 0.37587 0.42643 1.00000
O9 O 0.49010 0.22884 0.40253 1.00000
O10 O 0.22884 0.49010 0.90253 1.00000
O11 O 0.50822 0.76924 0.62284 1.00000
O12 O 0.76924 0.50822 0.12284 1.00000
O13 O 0.43450 0.08299 0.27762 1.00000
O14 O 0.08299 0.43450 0.77762 1.00000
O15 O 0.57595 0.91377 0.73701 1.00000
O16 O 0.91377 0.57595 0.23701 1.00000
O17 O 0.30146 0.40739 0.21566 1.00000
O18 O 0.40739 0.30146 0.71566 1.00000
O19 O 0.69603 0.58936 0.80791 1.00000
O20 O 0.58936 0.69603 0.30791 1.00000
O21 O 0.03155 0.11859 0.09514 1.00000
O22 O 0.11859 0.03155 0.59514 1.00000
O23 O 0.98794 0.89234 0.90020 1.00000
O24 O 0.89234 0.98794 0.40020 1.00000
