Cu11Sb3

Traditional Materials TRA

MP-ID: mp-30596 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Cu11Sb3

MP-ID

mp-30596

Elements

Sites

Density

8.8096

g/cm³

Volume

200.61

Å³

Cell a

9.9245

Cell b

9.9245

Cell c

4.3214

α Angle

90.00

β Angle

90.00

γ Angle

151.88

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
22.55	3.9424	1.5	(1,-1,1)
23.07	3.8552	2.5	(2,-1,0)
27.74	3.2157	4.6	(2,-2,1)
27.80	3.2091	1.3	(3,-3,0)
28.11	3.1741	5.3	(1,0,1)
29.69	3.0091	1.1	(3,-2,0)
31.09	2.8768	4.3	(2,-1,1)
36.38	2.4694	1.9	(3,-2,1)
37.30	2.4110	11.7	(1,1,0)
37.65	2.3892	26.8	(4,-3,0)
41.81	2.1607	38.6	(0,0,2)
41.91	2.1557	2.4	(3,-1,0)
42.96	2.1055	53.0	(1,1,1)
43.27	2.0909	100.0	(4,-3,1)
47.15	1.9276	1.1	(4,-2,0)
57.25	1.6091	6.4	(1,1,2)
57.51	1.6026	14.7	(4,-3,2)
60.68	1.5261	1.6	(3,-1,2)
67.49	1.3878	15.4	(5,-2,0)
68.19	1.3753	7.7	(7,-7,0)
77.13	1.2366	8.5	(1,1,3)
77.35	1.2336	16.3	(4,-3,3)
79.51	1.2055	1.4	(2,2,0)
80.38	1.1946	2.1	(8,-6,0)

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Energy Properties

Formation Energy/atom

0.04119

eV/atom

Energy/atom

-13.98979

eV/atom

Energy above Hull

0.0412

eV/atom

Uncorrected Energy

-4.0495

eV/atom

Volume/atom

14.33

Å³

c/a Ratio

0.4354

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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

Cu · 0.786

Element Family

N/A

Solute Fraction

0.214

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.860

Family

Cu-based Alloy

Matrix Element

Cu · 0.786

Related Tasks

Related computation task IDs (5)

aaadnfgu aaadrmaw aaaeaekg aaaeucyr aaafxgaf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30596

Reference Citation

The crystal structure and related material properties of Cu11Sb3 were obtained from the Materials Project database (MP-ID: mp-30596, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Cu11Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92445118
_cell_length_b   9.92445118
_cell_length_c   4.32139900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   151.88018893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu11Sb3
_chemical_formula_sum   'Cu11 Sb3'
_cell_volume   200.60896924
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.80349800  0.80349800  0.00000000  1.0
  Cu  Cu1  1  0.42295900  0.27706600  0.00000000  1.0
  Cu  Cu2  1  0.27706600  0.42295900  0.00000000  1.0
  Cu  Cu3  1  0.55352300  0.12563200  0.00000000  1.0
  Cu  Cu4  1  0.12563200  0.55352300  0.00000000  1.0
  Cu  Cu5  1  0.72770300  0.58108700  0.50000000  1.0
  Cu  Cu6  1  0.58108700  0.72770300  0.50000000  1.0
  Cu  Cu7  1  0.87268700  0.43285900  0.50000000  1.0
  Cu  Cu8  1  0.43285900  0.87268700  0.50000000  1.0
  Cu  Cu9  1  0.34519500  0.04969400  0.50000000  1.0
  Cu  Cu10  1  0.04969400  0.34519500  0.50000000  1.0
  Sb  Sb11  1  0.16548500  0.16548500  0.50000000  1.0
  Sb  Sb12  1  0.98712100  0.69549300  0.00000000  1.0
  Sb  Sb13  1  0.69549300  0.98712100  0.00000000  1.0

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