PrTm7Cd4
Alexandria ALEXAlex-ID: agm003666095 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_86_spg12
Tm2Cd Pr PrCd
2022-04-08 17:07:17.872332
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666095).
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 agm003666095
data_agm003666095
_cell_length_a 5.67082
_cell_length_b 8.92963
_cell_length_c 7.82372
_cell_angle_alpha 69.76633
_cell_angle_beta 68.75160
_cell_angle_gamma 71.48650
_cell_volume 337.98997
_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 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.79353 0.87983 0.53311 1.00000
Tm2 Tm 0.20647 0.12017 0.46689 1.00000
Tm3 Tm 0.07249 0.58460 0.27042 1.00000
Tm4 Tm 0.92751 0.41540 0.72958 1.00000
Tm5 Tm 0.26326 0.69215 0.78133 1.00000
Tm6 Tm 0.50000 0.00000 0.00000 1.00000
Tm7 Tm 0.73674 0.30785 0.21867 1.00000
Cd1 Cd 0.54136 0.28861 0.62866 1.00000
Cd2 Cd 0.45864 0.71139 0.37134 1.00000
Cd3 Cd 0.68217 0.66028 0.97537 1.00000
Cd4 Cd 0.31783 0.33972 0.02463 1.00000
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