MgTeH10O9
Alexandria ALEXAlex-ID: agm006789660 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC9D10_1_spg2
MgTeO4 H2O
2024-01-27 09:14:25.994140
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006789660).
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 agm006789660
data_agm006789660
_cell_length_a 6.36307
_cell_length_b 6.54444
_cell_length_c 10.97881
_cell_angle_alpha 75.50209
_cell_angle_beta 81.13239
_cell_angle_gamma 70.77814
_cell_volume 416.66410
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.00000 0.50000 0.50000 1.00000
Te1 Te 0.36236 0.01173 0.70355 1.00000
Te2 Te 0.63764 0.98827 0.29645 1.00000
H1 H 0.74748 0.89018 0.86568 1.00000
H2 H 0.25252 0.10982 0.13432 1.00000
H3 H 0.75358 0.72159 0.00222 1.00000
H4 H 0.24642 0.27841 0.99778 1.00000
H5 H 0.89951 0.33270 0.79093 1.00000
H6 H 0.10049 0.66730 0.20907 1.00000
H7 H 0.66853 0.33604 0.87017 1.00000
H8 H 0.33147 0.66396 0.12983 1.00000
H9 H 0.57187 0.57937 0.60661 1.00000
H10 H 0.42813 0.42063 0.39339 1.00000
H11 H 0.67397 0.31176 0.63345 1.00000
H12 H 0.32603 0.68824 0.36655 1.00000
H13 H 0.11370 0.79691 0.58217 1.00000
H14 H 0.88630 0.20309 0.41783 1.00000
H15 H 0.85110 0.85785 0.62165 1.00000
H16 H 0.14890 0.14215 0.37835 1.00000
H17 H 0.31066 0.60073 0.87457 1.00000
H18 H 0.68934 0.39927 0.12543 1.00000
H19 H 0.29374 0.43630 0.79646 1.00000
H20 H 0.70626 0.56370 0.20354 1.00000
O1 O 0.26192 0.88683 0.86287 1.00000
O2 O 0.73808 0.11317 0.13713 1.00000
O3 O 0.17946 0.30077 0.66388 1.00000
O4 O 0.82054 0.69923 0.33612 1.00000
O5 O 0.36819 0.83114 0.59754 1.00000
O6 O 0.63181 0.16886 0.40246 1.00000
O7 O 0.64660 0.02330 0.71145 1.00000
O8 O 0.35340 0.97670 0.28855 1.00000
O9 O 0.82528 0.82717 0.94430 1.00000
O10 O 0.17472 0.17283 0.05570 1.00000
O11 O 0.83220 0.28906 0.87612 1.00000
O12 O 0.16780 0.71094 0.12388 1.00000
O13 O 0.71053 0.45235 0.60377 1.00000
O14 O 0.28947 0.54765 0.39623 1.00000
O15 O 0.97548 0.76326 0.57484 1.00000
O16 O 0.02452 0.23674 0.42516 1.00000
O17 O 0.36138 0.44112 0.86989 1.00000
O18 O 0.63862 0.55888 0.13011 1.00000
