Ca7Ge

传统材料 TRA

MP-ID: mp-10008 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Ca7Ge

MP-ID

mp-10008

Elements

Sites

Density

2.0126

g/cm³

Volume

291.41

Å³

Cell a

7.4417

Cell b

7.4417

Cell c

7.4417

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 16)

2θ	d (Å)	I	hkl
14.58	6.0762	3.6	(1,1,1)
16.85	5.2621	2.0	(1,1,0)
23.92	3.7209	1.8	(2,1,1)
28.12	3.1732	2.5	(2,2,1)
29.40	3.0381	100.0	(2,2,2)
34.08	2.6311	49.6	(2,2,0)
37.24	2.4144	1.3	(3,1,1)
38.25	2.3533	1.2	(3,2,1)
44.75	2.0254	1.0	(3,3,3)
48.96	1.8604	32.9	(4,2,2)
51.36	1.7789	1.1	(4,3,2)
58.14	1.5866	37.6	(4,4,2)
61.00	1.5190	10.7	(4,4,4)
71.75	1.3155	4.8	(4,4,0)
79.37	1.2072	14.1	(6,2,2)
81.87	1.1766	12.9	(6,4,2)

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Energy Properties

Formation Energy/atom

-0.04457

eV/atom

Energy/atom

-7.93707

eV/atom

Energy above Hull

0.2235

eV/atom

Uncorrected Energy

-2.3395

eV/atom

Volume/atom

36.43

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0666

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000230

μB/Å³

Elastic Properties

K_VRH

0.000

GPa

G_VRH

0.000

GPa

Young's Modulus E

GPa

Poisson Ratio ν

Pugh Ratio K/G

1.650

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

-337,776.270

Lame λ

0.000

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ca · 0.875

Element Family

N/A

Solute Fraction

0.125

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.548

Family

Binary Alloy

Matrix Element

Ca · 0.875

Related Tasks

Related computation task IDs (5)

aaaddtat aaadnelz aaadsolq aaaetzww aaafingb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10008

Reference Citation

The crystal structure and related material properties of Ca7Ge were obtained from the Materials Project database (MP-ID: mp-10008, 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_Ca7Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44172894
_cell_length_b   7.44172894
_cell_length_c   7.44172894
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7Ge
_chemical_formula_sum   'Ca7 Ge1'
_cell_volume   291.41140454
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca2  1  0.00000000  0.50000000  0.00000000  1.0
  Ca  Ca3  1  0.50000000  0.00000000  0.00000000  1.0
  Ca  Ca4  1  0.00000000  0.50000000  0.50000000  1.0
  Ca  Ca5  1  0.50000000  0.00000000  0.50000000  1.0
  Ca  Ca6  1  0.00000000  0.00000000  0.50000000  1.0
  Ge  Ge7  1  0.00000000  0.00000000  0.00000000  1.0

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