Ca2MgVO6
Alexandria ALEXAlex-ID: agm002299042 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1_spg225
Ca3V2O8 CaO8 MgO CaO
2018-10-16 13:40:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002299042).
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 agm002299042
data_agm002299042
_cell_length_a 5.53135
_cell_length_b 5.42560
_cell_length_c 5.41518
_cell_angle_alpha 59.91077
_cell_angle_beta 60.34996
_cell_angle_gamma 60.61405
_cell_volume 115.66451
_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
Ca1 Ca 0.76978 0.74375 0.74310 1.00000
Ca2 Ca 0.23871 0.24948 0.26237 1.00000
Mg1 Mg 0.49858 0.49977 0.50179 1.00000
O1 O 0.31999 0.76421 0.15140 1.00000
O2 O 0.80032 0.19796 0.28579 1.00000
O3 O 0.18526 0.29444 0.71398 1.00000
O4 O 0.67648 0.23613 0.85070 1.00000
O5 O 0.79964 0.71648 0.28639 1.00000
O6 O 0.18511 0.80564 0.71468 1.00000
V1 V 0.02614 0.99213 0.98981 1.00000
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