Rb3Co

传统材料 TRA

MP-ID: mp-975050 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Rb3Co

MP-ID

mp-975050

Elements

Sites

Density

2.6048

g/cm³

Volume

201.03

Å³

Cell a

6.5754

Cell b

6.5754

Cell c

6.5754

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 10)

2θ	d (Å)	I	hkl
16.51	5.3688	1.1	(1,1,1)
27.12	3.2877	100.0	(2,1,1)
38.73	2.3248	18.9	(2,2,0)
47.93	1.8982	40.2	(3,3,2)
55.93	1.6439	12.5	(4,2,2)
63.25	1.4703	17.2	(4,3,1)
70.11	1.3422	4.2	(4,4,4)
76.69	1.2426	19.6	(5,4,3)
83.09	1.1624	2.0	(4,4,0)
89.41	1.0959	10.2	(6,3,3)

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Energy Properties

Formation Energy/atom

0.85726

eV/atom

Energy/atom

-1.66149

eV/atom

Energy above Hull

0.8573

eV/atom

Uncorrected Energy

-1.6615

eV/atom

Volume/atom

50.26

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.8643

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.009270

μB/Å³

Elastic Properties

K_VRH

9.437

GPa

G_VRH

0.168

GPa

Young's Modulus E

GPa

Poisson Ratio ν

Pugh Ratio K/G

56.173

Vickers Hardness Est.

GPa

Ductility

Brittle

Anisotropy

-9.350

Lame λ

9.325

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rb · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.521

Family

Binary Alloy

Matrix Element

Rb · 0.750

Related Tasks

Related computation task IDs (5)

aaadokre aaadvvbq aaadxuqj aaaesqjf aaafbmmb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-975050

Reference Citation

The crystal structure and related material properties of Rb3Co were obtained from the Materials Project database (MP-ID: mp-975050, 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_Rb3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57542980
_cell_length_b   6.57542980
_cell_length_c   6.57542980
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Co
_chemical_formula_sum   'Rb3 Co1'
_cell_volume   201.02841042
_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
  Rb  Rb0  1  0.25000000  0.25000000  0.25000000  1.0
  Rb  Rb1  1  0.75000000  0.75000000  0.75000000  1.0
  Rb  Rb2  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co3  1  0.00000000  0.00000000  0.00000000  1.0

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