Er3TmSc6
Alexandria ALEXAlex-ID: agm006019147 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_299_spg146
Er2Tm Er5Tm Sc
2023-09-21 13:22:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019147).
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
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# CIF generated by HEAS from Alexandria entry agm006019147
data_agm006019147
_cell_length_a 9.18668
_cell_length_b 9.18668
_cell_length_c 6.51265
_cell_angle_alpha 45.14662
_cell_angle_beta 45.14661
_cell_angle_gamma 60.00001
_cell_volume 276.22095
_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
Er1 Er 0.36805 0.36805 0.89584 1.00000
Er2 Er 0.61296 0.61296 0.16111 1.00000
Er3 Er 0.11270 0.11270 0.66189 1.00000
Tm1 Tm 0.86762 0.86762 0.39715 1.00000
Sc1 Sc 0.92785 0.58483 0.23091 1.00000
Sc2 Sc 0.25641 0.92785 0.23091 1.00000
Sc3 Sc 0.58483 0.25641 0.23091 1.00000
Sc4 Sc 0.08395 0.42836 0.73043 1.00000
Sc5 Sc 0.75726 0.08395 0.73043 1.00000
Sc6 Sc 0.42836 0.75726 0.73043 1.00000
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