Nb2Zn2SbO8
MP-ID: mp-1046429 · Space group: P-1 (#2)
Basic Information
Formula
Nb2Zn2SbO8
MP-ID
mp-1046429
Elements
4
Sites
26
Density
5.6517
g/cm³
Volume
332.82
ų
Cell a
5.4618
Å
Cell b
5.9042
Å
Cell c
10.7437
Å
α Angle
105.83
°
β Angle
92.99
°
γ Angle
90.11
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 8.57 | 10.3208 | 1.1 | (0,0,1) |
| 17.18 | 5.1604 | 1.7 | (0,0,2) |
| 19.79 | 4.4851 | 26.0 | (0,1,1) |
| 19.83 | 4.4763 | 26.6 | (0,1,-2) |
| 25.24 | 3.5289 | 43.1 | (1,-1,-1) |
| 25.31 | 3.5196 | 45.3 | (1,1,-2) |
| 25.90 | 3.4403 | 1.1 | (0,0,3) |
| 26.18 | 3.4034 | 14.3 | (1,-1,2) |
| 26.19 | 3.4027 | 16.7 | (1,1,1) |
| 26.32 | 3.3865 | 53.1 | (0,1,2) |
| 26.37 | 3.3801 | 57.0 | (0,1,-3) |
| 30.28 | 2.9521 | 25.6 | (0,2,-1) |
| 30.42 | 2.9381 | 60.5 | (1,-1,-2) |
| 30.50 | 2.9311 | 61.6 | (1,1,-3) |
| 31.74 | 2.8194 | 88.7 | (1,1,2) |
| 31.75 | 2.8184 | 82.2 | (1,-1,3) |
| 32.85 | 2.7268 | 100.0 | (2,0,0) |
| 33.53 | 2.6727 | 4.0 | (2,0,-1) |
| 33.96 | 2.6402 | 5.5 | (0,1,3) |
| 34.01 | 2.6360 | 5.0 | (0,1,-4) |
| 34.48 | 2.6014 | 1.1 | (2,0,1) |
| 34.52 | 2.5982 | 66.1 | (1,-2,1) |
| 34.58 | 2.5941 | 63.0 | (1,2,-1) |
| 34.77 | 2.5802 | 22.9 | (0,0,4) |
Energy Properties
Formation Energy/atom
-2.29257
eV/atom
Energy/atom
-7.40294
eV/atom
Energy above Hull
0.1272
eV/atom
Uncorrected Energy
-6.9802
eV/atom
Volume/atom
12.80
ų
c/a Ratio
1.9671
Electronic Properties
Metallic
Non-metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1046429
Reference Citation
The crystal structure and related material properties of Nb2Zn2SbO8 were obtained from the Materials Project database (MP-ID: mp-1046429, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Nb2Zn2SbO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46180500
_cell_length_b 5.90423839
_cell_length_c 10.74367905
_cell_angle_alpha 105.82899756
_cell_angle_beta 92.98815680
_cell_angle_gamma 90.11254913
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2Zn2SbO8
_chemical_formula_sum 'Nb4 Zn4 Sb2 O16'
_cell_volume 332.82182668
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb Nb0 1 0.27393300 0.03484700 0.75558600 1.0
Nb Nb1 1 0.22670900 0.28034700 0.24469500 1.0
Nb Nb2 1 0.72606700 0.96515300 0.24441400 1.0
Nb Nb3 1 0.77329100 0.71965300 0.75530500 1.0
Zn Zn4 1 0.22598400 0.87905400 0.44060100 1.0
Zn Zn5 1 0.27487000 0.44033300 0.56109200 1.0
Zn Zn6 1 0.77401600 0.12094600 0.55939900 1.0
Zn Zn7 1 0.72513000 0.55966700 0.43890800 1.0
Sb Sb8 1 0.25770600 0.67009500 0.00138300 1.0
Sb Sb9 1 0.74229400 0.32990500 0.99861700 1.0
O O10 1 0.97145700 0.01509800 0.84798600 1.0
O O11 1 0.52917900 0.16916300 0.15370400 1.0
O O12 1 0.02854300 0.98490200 0.15201400 1.0
O O13 1 0.47082100 0.83083700 0.84629600 1.0
O O14 1 0.39236200 0.33688300 0.88448600 1.0
O O15 1 0.11251000 0.45399800 0.11933900 1.0
O O16 1 0.60763800 0.66311700 0.11551400 1.0
O O17 1 0.88749000 0.54600200 0.88066100 1.0
O O18 1 0.57904800 0.93150900 0.64597500 1.0
O O19 1 0.92132300 0.28578300 0.35531400 1.0
O O20 1 0.64481000 0.44416900 0.60269700 1.0
O O21 1 0.85560300 0.84072400 0.39789100 1.0
O O22 1 0.35519000 0.55583100 0.39730300 1.0
O O23 1 0.14439700 0.15927600 0.60210900 1.0
O O24 1 0.07867700 0.71421700 0.64468600 1.0
O O25 1 0.42095200 0.06849100 0.35402500 1.0
