Tm2MgSe4
Alexandria ALEXAlex-ID: agm005248185 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_347_spg2
Tm2Se3 MgSe
2023-05-11 19:06:35.650864
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005248185).
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 agm005248185
data_agm005248185
_cell_length_a 7.38155
_cell_length_b 8.53250
_cell_length_c 14.11905
_cell_angle_alpha 98.33181
_cell_angle_beta 95.08223
_cell_angle_gamma 90.12780
_cell_volume 876.31372
_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 0.86518 0.30267 0.70561 1.00000
Tm2 Tm 0.13482 0.69733 0.29439 1.00000
Tm3 Tm 0.75628 0.12663 0.99961 1.00000
Tm4 Tm 0.24372 0.87337 0.00039 1.00000
Tm5 Tm 0.63237 0.44226 0.29144 1.00000
Tm6 Tm 0.36763 0.55774 0.70856 1.00000
Tm7 Tm 0.63249 0.95336 0.29526 1.00000
Tm8 Tm 0.36751 0.04664 0.70474 1.00000
Mg1 Mg 0.86684 0.80457 0.71281 1.00000
Mg2 Mg 0.13316 0.19543 0.28719 1.00000
Mg3 Mg 0.75078 0.62107 0.99470 1.00000
Mg4 Mg 0.24922 0.37893 0.00530 1.00000
Se1 Se 0.90614 0.35399 0.89716 1.00000
Se2 Se 0.09386 0.64601 0.10284 1.00000
Se3 Se 0.89468 0.84634 0.89662 1.00000
Se4 Se 0.10532 0.15366 0.10338 1.00000
Se5 Se 0.82659 0.21663 0.36659 1.00000
Se6 Se 0.17341 0.78337 0.63341 1.00000
Se7 Se 0.80905 0.71565 0.37061 1.00000
Se8 Se 0.19095 0.28435 0.62939 1.00000
Se9 Se 0.69382 0.02624 0.63403 1.00000
Se10 Se 0.30618 0.97376 0.36597 1.00000
Se11 Se 0.69230 0.54460 0.63577 1.00000
Se12 Se 0.30770 0.45540 0.36423 1.00000
Se13 Se 0.60263 0.89771 0.10313 1.00000
Se14 Se 0.39737 0.10229 0.89687 1.00000
Se15 Se 0.59808 0.40301 0.09973 1.00000
Se16 Se 0.40192 0.59699 0.90027 1.00000
