MgIn2P2(HO)18
Alexandria ALEXAlex-ID: agm006288242 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D18E18_1_spg2
InP(H2O3)2 In(HO)3 Mg3(PO4)2 H2O
2025-03-22 05:55:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006288242).
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 agm006288242
data_agm006288242
_cell_length_a 5.54179
_cell_length_b 7.57566
_cell_length_c 10.45456
_cell_angle_alpha 98.76937
_cell_angle_beta 101.40772
_cell_angle_gamma 111.82694
_cell_volume 386.88287
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
In1 In 0.50000 0.00000 0.50000 1.00000
In2 In 0.50000 0.50000 0.50000 1.00000
P1 P 0.96983 0.06782 0.31893 1.00000
P2 P 0.03017 0.93218 0.68107 1.00000
H1 H 0.91906 0.43484 0.71349 1.00000
H2 H 0.08094 0.56516 0.28651 1.00000
H3 H 0.07992 0.64579 0.81249 1.00000
H4 H 0.92008 0.35421 0.18751 1.00000
H5 H 0.54354 0.03636 0.12135 1.00000
H6 H 0.67561 0.00556 0.79570 1.00000
H7 H 0.13372 0.37445 0.93468 1.00000
H8 H 0.86628 0.62555 0.06532 1.00000
H9 H 0.29346 0.39831 0.08384 1.00000
H10 H 0.70654 0.60169 0.91616 1.00000
H11 H 0.68559 0.50842 0.25986 1.00000
H12 H 0.31441 0.49158 0.74014 1.00000
H13 H 0.60562 0.68714 0.30451 1.00000
H14 H 0.39438 0.31286 0.69549 1.00000
H15 H 0.85331 0.32354 0.48436 1.00000
H16 H 0.14669 0.67646 0.51564 1.00000
H17 H 0.45646 0.96364 0.87865 1.00000
H18 H 0.32439 0.99444 0.20430 1.00000
O1 O 0.19800 0.30457 0.99593 1.00000
O2 O 0.64365 0.98003 0.88268 1.00000
O3 O 0.35635 0.01997 0.11732 1.00000
O4 O 0.92909 0.48948 0.20432 1.00000
O5 O 0.07091 0.51052 0.79568 1.00000
O6 O 0.45867 0.45942 0.70826 1.00000
O7 O 0.70253 0.31095 0.52629 1.00000
O8 O 0.29747 0.68905 0.47371 1.00000
O9 O 0.70726 0.93533 0.35043 1.00000
O10 O 0.29274 0.06467 0.64957 1.00000
O11 O 0.10047 0.90587 0.82573 1.00000
O12 O 0.89953 0.09413 0.17427 1.00000
O13 O 0.90667 0.72819 0.57721 1.00000
O14 O 0.09333 0.27181 0.42279 1.00000
O15 O 0.82561 0.02829 0.66871 1.00000
O16 O 0.17439 0.97171 0.33129 1.00000
O17 O 0.80200 0.69543 0.00407 1.00000
O18 O 0.54133 0.54058 0.29174 1.00000
