Pr2Tm5V4
Alexandria ALEXAlex-ID: agm011878469 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_290_spg12
PrTm15 PrTm2 V
2024-07-14 07:42:15.346090
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011878469).
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 agm011878469
data_agm011878469
_cell_length_a 10.31179
_cell_length_b 10.31179
_cell_length_c 8.21481
_cell_angle_alpha 74.74194
_cell_angle_beta 74.74194
_cell_angle_gamma 18.99686
_cell_volume 274.03180
_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
Pr1 Pr 0.43382 0.43382 0.44340 1.00000
Pr2 Pr 0.56618 0.56618 0.55660 1.00000
Tm1 Tm 0.85094 0.85094 0.16794 1.00000
Tm2 Tm 0.14906 0.14906 0.83206 1.00000
Tm3 Tm 0.78757 0.78757 0.64184 1.00000
Tm4 Tm 0.50000 0.50000 0.00000 1.00000
Tm5 Tm 0.21243 0.21243 0.35816 1.00000
V1 V 0.29864 0.29864 0.92906 1.00000
V2 V 0.90117 0.90117 0.80526 1.00000
V3 V 0.70136 0.70136 0.07094 1.00000
V4 V 0.09883 0.09883 0.19474 1.00000
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