Ca3TmV2Cr2O12
Alexandria ALEXAlex-ID: agm010819641 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_32_spg1
Ca3V2O8 CaVO3 TmCrO3 CaCr2O4
2024-05-10 07:04:45.649893
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010819641).
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 agm010819641
data_agm010819641
_cell_length_a 5.31731
_cell_length_b 5.50869
_cell_length_c 7.64213
_cell_angle_alpha 90.11676
_cell_angle_beta 90.11273
_cell_angle_gamma 90.71052
_cell_volume 223.83102
_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 0.51300 0.55149 0.25581 1.00000
Ca2 Ca 0.99153 0.04953 0.25281 1.00000
Ca3 Ca 0.48668 0.44760 0.74745 1.00000
Tm1 Tm 0.01426 0.93545 0.74529 1.00000
V1 V 0.99641 0.49596 0.49876 1.00000
V2 V 0.50413 0.00190 0.00417 1.00000
Cr1 Cr 0.00005 0.49774 0.99950 1.00000
Cr2 Cr 0.50194 0.99993 0.50247 1.00000
O1 O 0.28372 0.70679 0.55005 1.00000
O2 O 0.20381 0.19149 0.94748 1.00000
O3 O 0.69042 0.28721 0.04412 1.00000
O4 O 0.80365 0.79840 0.45853 1.00000
O5 O 0.70872 0.30119 0.45822 1.00000
O6 O 0.78683 0.80284 0.03743 1.00000
O7 O 0.29366 0.72445 0.94565 1.00000
O8 O 0.19510 0.19802 0.55554 1.00000
O9 O 0.42122 0.97707 0.23973 1.00000
O10 O 0.09019 0.46965 0.25073 1.00000
O11 O 0.60413 0.02520 0.75655 1.00000
O12 O 0.91056 0.53809 0.74970 1.00000
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