MnCr3P6(PbO12)2
Alexandria ALEXAlex-ID: agm010943340 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
MnPO4 CrPO4 Cr2P4Pb3O16 P2PbO8
2025-04-01 05:15:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010943340).
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 agm010943340
data_agm010943340
_cell_length_a 9.01133
_cell_length_b 9.01133
_cell_length_c 9.01133
_cell_angle_alpha 55.52887
_cell_angle_beta 55.52887
_cell_angle_gamma 55.52887
_cell_volume 463.72081
_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
Mn1 Mn 0.84962 0.84962 0.84962 1.00000
Cr1 Cr 0.15016 0.15016 0.15016 1.00000
Cr2 Cr 0.35324 0.35324 0.35324 1.00000
Cr3 Cr 0.64544 0.64544 0.64544 1.00000
P1 P 0.24709 0.53613 0.96351 1.00000
P2 P 0.53613 0.96351 0.24709 1.00000
P3 P 0.96351 0.24709 0.53613 1.00000
P4 P 0.03260 0.74975 0.46861 1.00000
P5 P 0.46861 0.03260 0.74975 1.00000
P6 P 0.74975 0.46861 0.03260 1.00000
Pb1 Pb 0.00179 0.00179 0.00179 1.00000
Pb2 Pb 0.50058 0.50058 0.50058 1.00000
O1 O 0.11999 0.28644 0.51603 1.00000
O2 O 0.28644 0.51603 0.11999 1.00000
O3 O 0.02436 0.95065 0.30622 1.00000
O4 O 0.51603 0.11999 0.28644 1.00000
O5 O 0.02054 0.73360 0.65649 1.00000
O6 O 0.23439 0.59648 0.40381 1.00000
O7 O 0.30622 0.02436 0.95065 1.00000
O8 O 0.40381 0.23439 0.59648 1.00000
O9 O 0.26481 0.35126 0.97455 1.00000
O10 O 0.59648 0.40381 0.23439 1.00000
O11 O 0.04069 0.69765 0.97772 1.00000
O12 O 0.35126 0.97455 0.26481 1.00000
O13 O 0.65649 0.02054 0.73360 1.00000
O14 O 0.95065 0.30622 0.02436 1.00000
O15 O 0.39442 0.61256 0.76085 1.00000
O16 O 0.73360 0.65649 0.02054 1.00000
O17 O 0.61256 0.76085 0.39442 1.00000
O18 O 0.69765 0.97772 0.04069 1.00000
O19 O 0.76085 0.39442 0.61256 1.00000
O20 O 0.97455 0.26481 0.35126 1.00000
O21 O 0.49229 0.87987 0.70385 1.00000
O22 O 0.97772 0.04069 0.69765 1.00000
O23 O 0.70385 0.49229 0.87987 1.00000
O24 O 0.87987 0.70385 0.49229 1.00000
