NaMo(PO3)4
Alexandria ALEXAlex-ID: agm022062293 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_15_spg4
NaMo(PO3)4
2025-01-18 18:08:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022062293).
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 agm022062293
data_agm022062293
_cell_length_a 5.37201
_cell_length_b 13.79406
_cell_length_c 7.49925
_cell_angle_alpha 90.00000
_cell_angle_beta 98.19035
_cell_angle_gamma 90.00000
_cell_volume 550.04003
_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
Na1 Na 0.55540 0.95335 0.12637 1.00000
Na2 Na 0.44460 0.45335 0.87363 1.00000
Mo1 Mo 0.49799 0.77489 0.44828 1.00000
Mo2 Mo 0.50201 0.27489 0.55172 1.00000
P1 P 0.02477 0.91224 0.52404 1.00000
P2 P 0.98571 0.63019 0.39229 1.00000
P3 P 0.12516 0.31537 0.15216 1.00000
P4 P 0.22113 0.67663 0.06374 1.00000
P5 P 0.77887 0.17663 0.93626 1.00000
P6 P 0.87484 0.81537 0.84784 1.00000
P7 P 0.01429 0.13019 0.60771 1.00000
P8 P 0.97523 0.41224 0.47596 1.00000
O1 O 0.03329 0.71695 0.89372 1.00000
O2 O 0.06038 0.87019 0.72333 1.00000
O3 O 0.98743 0.13177 0.81637 1.00000
O4 O 0.14115 0.37529 0.99102 1.00000
O5 O 0.05966 0.52174 0.45367 1.00000
O6 O 0.19651 0.36795 0.59617 1.00000
O7 O 0.18200 0.69294 0.49961 1.00000
O8 O 0.27650 0.90778 0.45715 1.00000
O9 O 0.28330 0.14688 0.58178 1.00000
O10 O 0.34979 0.76265 0.16640 1.00000
O11 O 0.36318 0.28638 0.27257 1.00000
O12 O 0.37122 0.59684 0.00216 1.00000
O13 O 0.62878 0.09684 0.99784 1.00000
O14 O 0.63682 0.78638 0.72743 1.00000
O15 O 0.65021 0.26265 0.83360 1.00000
O16 O 0.71670 0.64688 0.41822 1.00000
O17 O 0.72350 0.40778 0.54285 1.00000
O18 O 0.81800 0.19294 0.50039 1.00000
O19 O 0.80349 0.86795 0.40383 1.00000
O20 O 0.94034 0.02174 0.54633 1.00000
O21 O 0.85885 0.87529 0.00898 1.00000
O22 O 0.01257 0.63177 0.18363 1.00000
O23 O 0.93962 0.37019 0.27667 1.00000
O24 O 0.96671 0.21695 0.10628 1.00000
