CsGa7

Traditional Materials TRA

MP-ID: mp-30574 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

CsGa7

MP-ID

mp-30574

Elements

Sites

Density

5.5932

g/cm³

Volume

368.71

Å³

Cell a

10.3881

Cell b

10.3881

Cell c

10.3880

α Angle

37.28

β Angle

37.28

γ Angle

37.28

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

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
9.16	9.6546	24.3	(1,1,1)
15.71	5.6408	2.2	(1,0,0)
26.54	3.3587	2.8	(3,2,2)
26.54	3.3587	1.4	(2,2,3)
26.85	3.3203	11.2	(1,0,-1)
27.72	3.2182	1.6	(3,3,3)
28.43	3.1398	80.4	(2,1,0)
29.15	3.0639	100.0	(3,3,2)
31.26	2.8614	14.8	(1,1,-1)
31.73	2.8204	37.2	(2,0,0)
31.73	2.8204	18.6	(0,0,2)
32.74	2.7357	2.4	(3,2,1)
32.74	2.7357	4.8	(3,1,2)
33.53	2.6725	3.0	(2,2,0)
33.53	2.6725	1.5	(0,2,2)
34.68	2.5868	10.8	(4,3,3)
34.68	2.5868	5.4	(3,3,4)
34.83	2.5756	1.6	(3,1,1)
37.25	2.4137	1.3	(4,4,4)
37.57	2.3941	1.3	(4,3,4)
38.11	2.3613	3.7	(3,3,1)
38.11	2.3613	7.4	(3,1,3)
38.98	2.3109	1.6	(4,2,3)
40.04	2.2517	1.4	(4,2,2)

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Energy Properties

Formation Energy/atom

-0.15449

eV/atom

Energy/atom

-13.30547

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.3055

eV/atom

Volume/atom

23.04

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Ga · 0.875

Element Family

N/A

Solute Fraction

0.125

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.618

Family

Binary Alloy

Matrix Element

Ga · 0.875

Related Tasks

Related computation task IDs (5)

aaadnmvp aaadrlaz aaaemnyo aaaetodw aaafwzud

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30574

Reference Citation

The crystal structure and related material properties of CsGa7 were obtained from the Materials Project database (MP-ID: mp-30574, 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_CsGa7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.38804553
_cell_length_b   10.38804555
_cell_length_c   10.38804438
_cell_angle_alpha   37.28094104
_cell_angle_beta   37.28094061
_cell_angle_gamma   37.28094092
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsGa7
_chemical_formula_sum   'Cs2 Ga14'
_cell_volume   368.71092024
_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
  Cs  Cs0  1  0.19367175  0.19367175  0.19367175  1.0
  Cs  Cs1  1  0.80632825  0.80632825  0.80632825  1.0
  Ga  Ga2  1  0.78506943  0.78506943  0.20350559  1.0
  Ga  Ga3  1  0.78506943  0.20350559  0.78506943  1.0
  Ga  Ga4  1  0.45502969  0.45502969  0.45502969  1.0
  Ga  Ga5  1  0.54497031  0.54497031  0.54497031  1.0
  Ga  Ga6  1  0.81795983  0.41925332  0.81795983  1.0
  Ga  Ga7  1  0.81795983  0.81795983  0.41925332  1.0
  Ga  Ga8  1  0.41925332  0.81795983  0.81795983  1.0
  Ga  Ga9  1  0.58074668  0.18204017  0.18204017  1.0
  Ga  Ga10  1  0.18204017  0.58074668  0.18204017  1.0
  Ga  Ga11  1  0.18204017  0.18204017  0.58074668  1.0
  Ga  Ga12  1  0.21493057  0.79649441  0.21493057  1.0
  Ga  Ga13  1  0.21493057  0.21493057  0.79649441  1.0
  Ga  Ga14  1  0.79649441  0.21493057  0.21493057  1.0
  Ga  Ga15  1  0.20350559  0.78506943  0.78506943  1.0

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