NaCaMn2GaGe3(O5F)2
Alexandria ALEXAlex-ID: agm010273612 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E2F3G10_7_spg1
MnGeO3 NaGaGeO4 CaF2
2024-08-24 23:49:25.178677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010273612).
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 agm010273612
data_agm010273612
_cell_length_a 5.56493
_cell_length_b 5.59170
_cell_length_c 10.44856
_cell_angle_alpha 78.06344
_cell_angle_beta 80.80904
_cell_angle_gamma 60.49207
_cell_volume 276.20035
_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 0.50181 0.00103 0.50520 1.00000
Ca1 Ca 0.10348 0.86799 0.94339 1.00000
Mn1 Mn 0.83334 0.33569 0.50847 1.00000
Mn2 Mn 0.16351 0.67167 0.50739 1.00000
Ga1 Ga 0.79930 0.58142 0.78883 1.00000
Ge1 Ge 0.46293 0.25103 0.79482 1.00000
Ge2 Ge 0.18377 0.42841 0.21701 1.00000
Ge3 Ge 0.52032 0.76622 0.21235 1.00000
O1 O 0.51184 0.90461 0.85772 1.00000
O2 O 0.32673 0.12254 0.14273 1.00000
O3 O 0.13118 0.49017 0.86392 1.00000
O4 O 0.71769 0.28531 0.86643 1.00000
O5 O 0.86588 0.66582 0.13623 1.00000
O6 O 0.37067 0.61432 0.13315 1.00000
O7 O 0.83887 0.61423 0.61444 1.00000
O8 O 0.48365 0.31923 0.62498 1.00000
O9 O 0.16594 0.38863 0.38445 1.00000
O10 O 0.51320 0.68505 0.38045 1.00000
F1 F 0.13106 0.96350 0.62727 1.00000
F2 F 0.87482 0.04311 0.39078 1.00000
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