Nb2Sb

Traditional Materials TRA

MP-ID: mp-673700 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Nb2Sb

MP-ID

mp-673700

Elements

Sites

Density

8.3822

g/cm³

Volume

426.52

Å³

Cell a

2.9385

Cell b

6.9471

Cell c

21.2048

α Angle

83.21

β Angle

86.29

γ Angle

83.54

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
13.12	6.7478	2.4	(0,1,1)
26.06	3.4189	1.4	(0,1,-5)
26.42	3.3739	2.5	(0,2,2)
29.74	3.0039	11.3	(0,0,7)
29.90	2.9883	10.7	(0,1,-6)
31.14	2.8723	1.3	(0,1,7)
31.41	2.8482	1.2	(1,0,2)
31.93	2.8028	2.6	(1,1,1)
32.06	2.7920	2.9	(1,1,0)
32.38	2.7647	2.1	(1,1,2)
32.64	2.7433	1.9	(1,0,3)
32.73	2.7358	1.3	(0,2,-4)
32.76	2.7339	3.1	(1,1,-1)
33.39	2.6833	1.5	(1,1,3)
33.91	2.6438	19.8	(1,0,-3)
34.00	2.6368	11.0	(1,1,-2)
34.39	2.6081	32.4	(1,0,4)
34.68	2.5866	3.5	(1,-1,0)
34.92	2.5694	1.4	(1,1,4)
34.93	2.5685	2.4	(1,-1,1)
34.97	2.5661	4.9	(1,-1,-1)
35.17	2.5517	99.9	(0,1,8)
35.58	2.5232	100.0	(0,2,-5)
35.71	2.5141	2.4	(1,-1,2)

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Energy Properties

Formation Energy/atom

-0.02775

eV/atom

Energy/atom

-25.08590

eV/atom

Energy above Hull

0.3242

eV/atom

Uncorrected Energy

-8.0766

eV/atom

Volume/atom

20.31

Å³

c/a Ratio

7.2163

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0012

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Nb · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.668

Family

Binary Alloy

Matrix Element

Nb · 0.667

Related Tasks

Related computation task IDs (3)

aaacbxsd aaadrtaf aaadzqxi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-673700

Reference Citation

The crystal structure and related material properties of Nb2Sb were obtained from the Materials Project database (MP-ID: mp-673700, 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_Nb2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93844500
_cell_length_b   6.94706688
_cell_length_c   21.20478544
_cell_angle_alpha   83.20976905
_cell_angle_beta   86.29139703
_cell_angle_gamma   83.53630071
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Sb
_chemical_formula_sum   'Nb14 Sb7'
_cell_volume   426.51764548
_cell_formula_units_Z   7
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  0.60269100  0.06793400  0.86146500  1.0
  Nb  Nb1  1  0.88995100  0.83633900  0.76455200  1.0
  Nb  Nb2  1  0.08312700  0.20385500  0.72025800  1.0
  Nb  Nb3  1  0.25667300  0.32047200  0.94622900  1.0
  Nb  Nb4  1  0.66094700  0.34216600  0.57755100  1.0
  Nb  Nb5  1  0.23799300  0.48892800  0.43529500  1.0
  Nb  Nb6  1  0.62106300  0.26466100  0.34087000  1.0
  Nb  Nb7  1  0.46572100  0.97152900  0.62566700  1.0
  Nb  Nb8  1  0.81209000  0.64339200  0.29212200  1.0
  Nb  Nb9  1  0.04443700  0.11411600  0.48333000  1.0
  Nb  Nb10  1  0.38664100  0.80553900  0.15046900  1.0
  Nb  Nb11  1  0.99816500  0.95144500  0.00817900  1.0
  Nb  Nb12  1  0.19586700  0.42098200  0.19783000  1.0
  Nb  Nb13  1  0.77392200  0.58069300  0.06222400  1.0
  Sb  Sb14  1  0.66753200  0.69322900  0.92702600  1.0
  Sb  Sb15  1  0.41123100  0.46188900  0.80675500  1.0
  Sb  Sb16  1  0.04093200  0.59828000  0.65862300  1.0
  Sb  Sb17  1  0.62087800  0.74333200  0.51528900  1.0
  Sb  Sb18  1  0.19268900  0.89280400  0.37240800  1.0
  Sb  Sb19  1  0.76812200  0.05221600  0.22946500  1.0
  Sb  Sb20  1  0.36253500  0.21218000  0.08210400  1.0

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