MoP2O7
Alexandria ALEXAlex-ID: agm003247409 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_4_spg14
MoP2O7
2021-12-20 00:13:45.017791
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003247409).
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 agm003247409
data_agm003247409
_cell_length_a 8.25363
_cell_length_b 7.02448
_cell_length_c 9.77730
_cell_angle_alpha 70.79854
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 535.32727
_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
Mo1 Mo 0.72510 0.71804 0.49020 1.00000
Mo2 Mo 0.77490 0.71804 0.99020 1.00000
Mo3 Mo 0.27490 0.28196 0.50980 1.00000
Mo4 Mo 0.22510 0.28196 0.00980 1.00000
P1 P 0.59492 0.45338 0.29673 1.00000
P2 P 0.96554 0.93374 0.20297 1.00000
P3 P 0.90508 0.45338 0.79673 1.00000
P4 P 0.03446 0.06626 0.79703 1.00000
P5 P 0.53446 0.93374 0.70297 1.00000
P6 P 0.40508 0.54662 0.70327 1.00000
P7 P 0.46554 0.06626 0.29703 1.00000
P8 P 0.09492 0.54662 0.20327 1.00000
O1 O 0.93149 0.53391 0.13087 1.00000
O2 O 0.44762 0.13911 0.65691 1.00000
O3 O 0.09818 0.41585 0.36298 1.00000
O4 O 0.10980 0.77711 0.20165 1.00000
O5 O 0.09820 0.11383 0.64194 1.00000
O6 O 0.59818 0.58415 0.13702 1.00000
O7 O 0.66916 0.92487 0.59850 1.00000
O8 O 0.59820 0.88617 0.85806 1.00000
O9 O 0.90180 0.88617 0.35806 1.00000
O10 O 0.76530 0.49629 0.88434 1.00000
O11 O 0.23470 0.50371 0.11566 1.00000
O12 O 0.16916 0.07513 0.90150 1.00000
O13 O 0.39020 0.77711 0.70165 1.00000
O14 O 0.05238 0.13911 0.15691 1.00000
O15 O 0.40182 0.41585 0.86298 1.00000
O16 O 0.40180 0.11383 0.14194 1.00000
O17 O 0.73470 0.49629 0.38434 1.00000
O18 O 0.33084 0.07513 0.40150 1.00000
O19 O 0.83084 0.92487 0.09850 1.00000
O20 O 0.56851 0.53391 0.63087 1.00000
O21 O 0.06851 0.46609 0.86913 1.00000
O22 O 0.55238 0.86089 0.34309 1.00000
O23 O 0.94762 0.86089 0.84309 1.00000
O24 O 0.89020 0.22289 0.79835 1.00000
O25 O 0.60980 0.22289 0.29835 1.00000
O26 O 0.26530 0.50371 0.61566 1.00000
O27 O 0.43149 0.46609 0.36913 1.00000
O28 O 0.90182 0.58415 0.63702 1.00000
