CsK2NdV2O8
Alexandria ALEXAlex-ID: agm011194113 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E8_37_spg11
CsK2NdV2O8
2024-11-13 05:23:28.845520
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011194113).
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 agm011194113
data_agm011194113
_cell_length_a 6.14088
_cell_length_b 7.91938
_cell_length_c 10.10305
_cell_angle_alpha 87.91483
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 491.00653
_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
Cs1 Cs 0.25000 0.88011 0.40813 1.00000
Cs2 Cs 0.75000 0.11989 0.59187 1.00000
K1 K 0.25000 0.00761 0.81361 1.00000
K2 K 0.75000 0.99239 0.18639 1.00000
K3 K 0.25000 0.30265 0.08738 1.00000
K4 K 0.75000 0.69735 0.91262 1.00000
Nd1 Nd 0.25000 0.50659 0.71442 1.00000
Nd2 Nd 0.75000 0.49341 0.28558 1.00000
V1 V 0.25000 0.73330 0.08153 1.00000
V2 V 0.75000 0.26670 0.91847 1.00000
V3 V 0.25000 0.32293 0.42910 1.00000
V4 V 0.75000 0.67707 0.57090 1.00000
O1 O 0.25000 0.95002 0.08825 1.00000
O2 O 0.75000 0.04998 0.91175 1.00000
O3 O 0.25000 0.53183 0.46801 1.00000
O4 O 0.75000 0.46817 0.53199 1.00000
O5 O 0.25000 0.67644 0.91587 1.00000
O6 O 0.75000 0.32356 0.08413 1.00000
O7 O 0.48606 0.65278 0.15974 1.00000
O8 O 0.51394 0.34722 0.84026 1.00000
O9 O 0.98606 0.34722 0.84026 1.00000
O10 O 0.01394 0.65278 0.15974 1.00000
O11 O 0.48175 0.27313 0.33651 1.00000
O12 O 0.51825 0.72687 0.66349 1.00000
O13 O 0.98175 0.72687 0.66349 1.00000
O14 O 0.01825 0.27313 0.33651 1.00000
O15 O 0.25000 0.22320 0.58658 1.00000
O16 O 0.75000 0.77680 0.41342 1.00000
