CaTm2(PuTi)2
Alexandria ALEXAlex-ID: agm011322845 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_177_spg164
Ca Pu Tm Ti
2024-03-03 08:02:49.257558
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011322845).
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 agm011322845
data_agm011322845
_cell_length_a 3.41195
_cell_length_b 5.00492
_cell_length_c 9.97278
_cell_angle_alpha 92.72654
_cell_angle_beta 88.44235
_cell_angle_gamma 86.48418
_cell_volume 169.71030
_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 0.50000 0.00000 1.00000
Tm1 Tm 0.52303 0.97746 0.79872 1.00000
Tm2 Tm 0.47697 0.02254 0.20128 1.00000
Pu1 Pu 0.74434 0.15331 0.48814 1.00000
Pu2 Pu 0.25566 0.84669 0.51186 1.00000
Ti1 Ti 0.97730 0.53858 0.33954 1.00000
Ti2 Ti 0.02270 0.46142 0.66046 1.00000
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