Ca2PrTm3
Alexandria ALEXAlex-ID: agm014181869 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1030_spg12
PrTm15 PrTm2 Ca
2025-04-13 13:12:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014181869).
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 agm014181869
data_agm014181869
_cell_length_a 9.54785
_cell_length_b 9.54785
_cell_length_c 10.63961
_cell_angle_alpha 58.75517
_cell_angle_beta 121.24483
_cell_angle_gamma 149.76875
_cell_volume 411.87266
_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 0.75362 0.24638 0.13740 1.00000
Ca2 Ca 0.24638 0.75362 0.86260 1.00000
Ca3 Ca 0.08120 0.91880 0.95182 1.00000
Ca4 Ca 0.91880 0.08120 0.04818 1.00000
Pr1 Pr 0.58929 0.41071 0.23324 1.00000
Pr2 Pr 0.41071 0.58929 0.76676 1.00000
Tm1 Tm 0.74586 0.25414 0.60926 1.00000
Tm2 Tm 0.91690 0.08310 0.54009 1.00000
Tm3 Tm 0.57413 0.42587 0.68193 1.00000
Tm4 Tm 0.25414 0.74586 0.39074 1.00000
Tm5 Tm 0.42587 0.57413 0.31807 1.00000
Tm6 Tm 0.08310 0.91690 0.45991 1.00000
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