Tm4TlN
Alexandria ALEXAlex-ID: agm003756830 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1947_spg15
Tm3TlN Tm
2022-04-18 19:17:17.908847
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003756830).
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 agm003756830
data_agm003756830
_cell_length_a 5.58267
_cell_length_b 7.01276
_cell_length_c 8.21401
_cell_angle_alpha 105.91017
_cell_angle_beta 109.87519
_cell_angle_gamma 89.99614
_cell_volume 289.29209
_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
Tm1 Tm 0.41370 0.07712 0.76873 1.00000
Tm2 Tm 0.64476 0.42288 0.23127 1.00000
Tm3 Tm 0.58630 0.92288 0.23127 1.00000
Tm4 Tm 0.35524 0.57712 0.76873 1.00000
Tm5 Tm 0.82051 0.79702 0.61431 1.00000
Tm6 Tm 0.20606 0.70298 0.38558 1.00000
Tm7 Tm 0.17949 0.20298 0.38569 1.00000
Tm8 Tm 0.79394 0.29702 0.61442 1.00000
Tl1 Tl 0.97076 0.75003 0.99994 1.00000
Tl2 Tl 0.02924 0.24997 0.00006 1.00000
N1 N 0.50000 0.00000 0.50000 1.00000
N2 N 0.00000 0.50000 0.50000 1.00000
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