Sm2ErTm12
Alexandria ALEXAlex-ID: agm005803767 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_75_spg65
Sm2Tm7 ErTm5
2023-07-18 04:39:09.516705
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803767).
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 agm005803767
data_agm005803767
_cell_length_a 6.57005
_cell_length_b 6.57005
_cell_length_c 24.32530
_cell_angle_alpha 83.23155
_cell_angle_beta 96.76853
_cell_angle_gamma 65.23769
_cell_volume 930.40101
_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
Sm1 Sm 0.46072 0.03928 0.28030 1.00000
Sm2 Sm 0.96074 0.53927 0.27992 1.00000
Sm3 Sm 0.03928 0.46072 0.71970 1.00000
Sm4 Sm 0.53926 0.96073 0.72008 1.00000
Er1 Er 0.50003 0.99997 0.00001 1.00000
Er2 Er 0.99997 0.50003 0.99999 1.00000
Tm1 Tm 0.60618 0.39394 0.80872 1.00000
Tm2 Tm 0.10606 0.89382 0.80872 1.00000
Tm3 Tm 0.64919 0.85081 0.86597 1.00000
Tm4 Tm 0.45027 0.54921 0.93397 1.00000
Tm5 Tm 0.99792 0.00184 0.33002 1.00000
Tm6 Tm 0.04973 0.95079 0.06603 1.00000
Tm7 Tm 0.66651 0.33410 0.55499 1.00000
Tm8 Tm 0.49816 0.50208 0.33002 1.00000
Tm9 Tm 0.14911 0.35089 0.86563 1.00000
Tm10 Tm 0.85081 0.64919 0.13403 1.00000
Tm11 Tm 0.18015 0.31985 0.57294 1.00000
Tm12 Tm 0.83349 0.16590 0.44501 1.00000
Tm13 Tm 0.00184 0.99792 0.66998 1.00000
Tm14 Tm 0.31985 0.18015 0.42706 1.00000
Tm15 Tm 0.35089 0.14911 0.13437 1.00000
Tm16 Tm 0.82060 0.67940 0.42728 1.00000
Tm17 Tm 0.67940 0.82060 0.57272 1.00000
Tm18 Tm 0.89382 0.10606 0.19128 1.00000
Tm19 Tm 0.16590 0.83349 0.55499 1.00000
Tm20 Tm 0.50208 0.49816 0.66998 1.00000
Tm21 Tm 0.95079 0.04973 0.93397 1.00000
Tm22 Tm 0.39394 0.60618 0.19128 1.00000
Tm23 Tm 0.33410 0.66651 0.44501 1.00000
Tm24 Tm 0.54921 0.45027 0.06603 1.00000
