CaVIn(PO4)3
Alexandria ALEXAlex-ID: agm010944331 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E12_6_spg148
CaVIn(PO4)3
2024-11-10 16:25:58.234682
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010944331).
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 agm010944331
data_agm010944331
_cell_length_a 8.74031
_cell_length_b 8.74023
_cell_length_c 8.94717
_cell_angle_alpha 90.00059
_cell_angle_beta 119.23759
_cell_angle_gamma 119.99827
_cell_volume 488.80852
_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 0.00000 0.00000 0.00000 1.00000
Ca2 Ca 0.00000 0.50000 0.50000 1.00000
V1 V 0.70312 0.85156 0.55466 1.00000
V2 V 0.29688 0.14844 0.44534 1.00000
In1 In 0.70555 0.35277 0.05833 1.00000
In2 In 0.29445 0.64723 0.94167 1.00000
P1 P 0.78676 0.54534 0.74457 1.00000
P2 P 0.49697 0.04230 0.25552 1.00000
P3 P 0.80087 0.75858 0.25552 1.00000
P4 P 0.50303 0.95770 0.74448 1.00000
P5 P 0.21324 0.45466 0.25543 1.00000
P6 P 0.19913 0.24142 0.74448 1.00000
O1 O 0.61190 0.72560 0.07534 1.00000
O2 O 0.65026 0.11367 0.92469 1.00000
O3 O 0.56662 0.38293 0.57831 1.00000
O4 O 0.81674 0.73592 0.73259 1.00000
O5 O 0.19505 0.18357 0.57809 1.00000
O6 O 0.95657 0.54223 0.73413 1.00000
O7 O 0.38810 0.27440 0.92466 1.00000
O8 O 0.04343 0.45777 0.26587 1.00000
O9 O 0.68032 0.22251 0.26591 1.00000
O10 O 0.80812 0.58562 0.26592 1.00000
O11 O 0.00337 0.91910 0.26737 1.00000
O12 O 0.19188 0.41438 0.73408 1.00000
O13 O 0.34836 0.08432 0.26743 1.00000
O14 O 0.18326 0.26408 0.26741 1.00000
O15 O 0.31968 0.77749 0.73409 1.00000
O16 O 0.18890 0.46330 0.07517 1.00000
O17 O 0.80495 0.81643 0.42191 1.00000
O18 O 0.65164 0.91568 0.73257 1.00000
O19 O 0.60552 0.98852 0.42188 1.00000
O20 O 0.99663 0.08090 0.73263 1.00000
O21 O 0.43338 0.61707 0.42169 1.00000
O22 O 0.39448 0.01148 0.57812 1.00000
O23 O 0.34974 0.88633 0.07531 1.00000
O24 O 0.81110 0.53670 0.92483 1.00000
