YTm7Tl4
Alexandria ALEXAlex-ID: agm003665166 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_86_spg12
Y3Tm2Tl3 Tm5Tl3 Tm
2022-04-20 19:29:27.468346
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003665166).
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 agm003665166
data_agm003665166
_cell_length_a 5.71230
_cell_length_b 9.03328
_cell_length_c 7.94573
_cell_angle_alpha 69.36832
_cell_angle_beta 68.93312
_cell_angle_gamma 71.56788
_cell_volume 349.53075
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.79460 0.87879 0.53200 1.00000
Tm2 Tm 0.20540 0.12121 0.46800 1.00000
Tm3 Tm 0.06933 0.59016 0.27118 1.00000
Tm4 Tm 0.93067 0.40984 0.72882 1.00000
Tm5 Tm 0.25710 0.69667 0.78913 1.00000
Tm6 Tm 0.50000 0.00000 0.00000 1.00000
Tm7 Tm 0.74290 0.30333 0.21087 1.00000
Tl1 Tl 0.54923 0.28688 0.61465 1.00000
Tl2 Tl 0.45077 0.71312 0.38535 1.00000
Tl3 Tl 0.68473 0.66187 0.96867 1.00000
Tl4 Tl 0.31527 0.33813 0.03133 1.00000
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