Ca11Ga7

Traditional Materials TRA

MP-ID: mp-30474 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Ca11Ga7

MP-ID

mp-30474

Elements

Sites

Density

2.9902

g/cm³

Volume

1,031.72

Å³

Cell a

11.3421

Cell b

11.3421

Cell c

11.3421

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

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
9.55	9.2608	2.0	(1,0,0)
11.03	8.0201	32.1	(1,1,0)
15.63	5.6710	14.8	(1,0,-1)
18.34	4.8363	2.1	(2,1,0)
19.17	4.6304	48.5	(2,0,0)
22.17	4.0100	6.2	(2,2,0)
24.19	3.6799	12.3	(2,0,-1)
24.82	3.5867	1.3	(2,1,-1)
27.24	3.2742	2.2	(3,1,0)
28.92	3.0869	28.5	(3,2,0)
31.55	2.8355	52.9	(2,0,-2)
33.04	2.7113	100.0	(3,1,-1)
33.52	2.6734	91.5	(3,0,-1)
35.39	2.5362	9.8	(3,2,-1)
36.74	2.4461	56.5	(4,1,0)
37.18	2.4181	5.3	(4,2,0)
38.90	2.3152	1.6	(4,0,0)
40.56	2.2244	8.0	(3,1,-2)
42.16	2.1435	5.0	(4,1,-1)
43.33	2.0882	35.1	(4,2,-1)
43.33	2.0882	31.7	(3,1,5)
46.70	1.9452	14.0	(5,1,0)
48.14	1.8903	33.4	(5,3,0)
49.19	1.8522	5.0	(5,0,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.43741

eV/atom

Energy/atom

-9.18856

eV/atom

Energy above Hull

0.0033

eV/atom

Uncorrected Energy

-9.1886

eV/atom

Volume/atom

28.66

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0001

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

Ca · 0.611

Element Family

N/A

Solute Fraction

0.389

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.670

Family

Binary Alloy

Matrix Element

Ca · 0.611

Related Tasks

Related computation task IDs (3)

aaacbotj aaadrtbc aaaelvqo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30474

Reference Citation

The crystal structure and related material properties of Ca11Ga7 were obtained from the Materials Project database (MP-ID: mp-30474, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Ca11Ga7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.34206976
_cell_length_b   11.34206963
_cell_length_c   11.34206934
_cell_angle_alpha   60.00000084
_cell_angle_beta   60.00000124
_cell_angle_gamma   60.00000041
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11Ga7
_chemical_formula_sum   'Ca22 Ga14'
_cell_volume   1031.72019528
_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
  Ca  Ca0  1  0.00000000  -0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca2  1  0.12973859  0.12973859  0.12973859  1.0
  Ca  Ca3  1  0.87026141  0.87026141  0.38921476  1.0
  Ca  Ca4  1  0.38921476  0.87026141  0.87026141  1.0
  Ca  Ca5  1  0.87026141  0.38921476  0.87026141  1.0
  Ca  Ca6  1  0.61078524  0.12973859  0.12973859  1.0
  Ca  Ca7  1  0.12973859  0.61078524  0.12973859  1.0
  Ca  Ca8  1  0.12973859  0.12973859  0.61078524  1.0
  Ca  Ca9  1  0.87026141  0.87026141  0.87026141  1.0
  Ca  Ca10  1  0.83584304  0.50000000  0.50000000  1.0
  Ca  Ca11  1  0.50000000  0.50000000  0.83584304  1.0
  Ca  Ca12  1  0.83584304  0.16415696  0.50000000  1.0
  Ca  Ca13  1  0.50000000  0.83584304  0.16415696  1.0
  Ca  Ca14  1  0.50000000  0.16415696  0.83584304  1.0
  Ca  Ca15  1  0.50000000  0.83584304  0.50000000  1.0
  Ca  Ca16  1  0.83584304  0.50000000  0.16415696  1.0
  Ca  Ca17  1  0.16415696  0.83584304  0.50000000  1.0
  Ca  Ca18  1  0.50000000  0.16415696  0.50000000  1.0
  Ca  Ca19  1  0.16415696  0.50000000  0.83584304  1.0
  Ca  Ca20  1  0.50000000  0.50000000  0.16415696  1.0
  Ca  Ca21  1  0.16415696  0.50000000  0.50000000  1.0
  Ga  Ga22  1  0.78004758  0.21995242  0.21995242  1.0
  Ga  Ga23  1  0.78004758  0.78004758  0.21995242  1.0
  Ga  Ga24  1  0.21995242  0.21995242  0.78004758  1.0
  Ga  Ga25  1  0.78004758  0.21995242  0.78004758  1.0
  Ga  Ga26  1  0.21995242  0.78004758  0.21995242  1.0
  Ga  Ga27  1  0.21995242  0.78004758  0.78004758  1.0
  Ga  Ga28  1  0.30871715  0.30871715  0.30871715  1.0
  Ga  Ga29  1  0.69128185  0.69128185  0.92615245  1.0
  Ga  Ga30  1  0.92615245  0.69128185  0.69128185  1.0
  Ga  Ga31  1  0.69128185  0.92615245  0.69128185  1.0
  Ga  Ga32  1  0.07384755  0.30871715  0.30871715  1.0
  Ga  Ga33  1  0.30871715  0.07384755  0.30871715  1.0
  Ga  Ga34  1  0.30871715  0.30871715  0.07384755  1.0
  Ga  Ga35  1  0.69128185  0.69128185  0.69128185  1.0

Get direct link