RbMg7

传统材料 TRA

MP-ID: mp-1016325 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

RbMg7

MP-ID

mp-1016325

Elements

Sites

Density

1.8894

g/cm³

Volume

224.64

Å³

Cell a

6.9252

Cell b

6.9252

Cell c

5.4086

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

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
14.77	5.9974	19.5	(1,0,-1,0)
16.39	5.4086	6.9	(0,0,0,1)
22.13	4.0166	26.9	(1,0,-1,1)
25.73	3.4626	7.8	(2,-1,-1,0)
29.79	2.9987	27.8	(2,0,-2,0)
30.66	2.9162	8.7	(2,-1,-1,1)
33.13	2.7043	24.3	(0,0,0,2)
34.19	2.6226	100.0	(2,0,-2,1)
36.45	2.4653	4.4	(1,0,-1,2)
39.76	2.2668	7.3	(3,-1,-2,0)
42.41	2.1313	4.0	(2,-1,-1,2)
43.28	2.0906	4.0	(3,-1,-2,1)
45.15	2.0083	17.1	(2,0,-2,2)
45.37	1.9991	1.6	(3,0,-3,0)
48.55	1.8752	3.4	(3,0,-3,1)
52.69	1.7372	6.3	(3,-1,-2,2)
52.88	1.7313	17.3	(4,-2,-2,0)
53.04	1.7266	2.5	(1,0,-1,3)
55.22	1.6634	1.2	(4,-1,-3,0)
55.75	1.6489	2.1	(4,-2,-2,1)
57.31	1.6076	1.1	(3,0,-3,2)
57.64	1.5991	1.4	(2,-1,-1,3)
58.01	1.5899	4.2	(4,-1,-3,1)
59.86	1.5451	12.5	(2,0,-2,3)

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Energy Properties

Formation Energy/atom

0.26412

eV/atom

Energy/atom

-1.28511

eV/atom

Energy above Hull

0.2641

eV/atom

Uncorrected Energy

-1.2851

eV/atom

Volume/atom

28.08

Å³

c/a Ratio

0.7810

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0018

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

N/A

Solute Fraction

0.125

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.606

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (2)

aaacfvps aaacfvuz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016325

Reference Citation

The crystal structure and related material properties of RbMg7 were obtained from the Materials Project database (MP-ID: mp-1016325, 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_RbMg7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92523351
_cell_length_b   6.92523351
_cell_length_c   5.40864200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg7
_chemical_formula_sum   'Rb1 Mg7'
_cell_volume   224.64033171
_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  0.66666700  0.33333300  0.50000000  1.0
  Mg  Mg1  1  0.16289100  0.32578300  0.50000000  1.0
  Mg  Mg2  1  0.67421700  0.83710900  0.50000000  1.0
  Mg  Mg3  1  0.16289100  0.83710900  0.50000000  1.0
  Mg  Mg4  1  0.84781400  0.15218600  0.00000000  1.0
  Mg  Mg5  1  0.30437100  0.15218600  0.00000000  1.0
  Mg  Mg6  1  0.84781400  0.69562900  0.00000000  1.0
  Mg  Mg7  1  0.33333300  0.66666700  0.00000000  1.0

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