CsMg15

Traditional Materials TRA

MP-ID: mp-1023568 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CsMg15

MP-ID

mp-1023568

Elements

Sites

Density

2.0109

g/cm³

Volume

410.81

Å³

Cell a

6.6345

Cell b

6.6345

Cell c

10.7769

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
8.20	10.7769	18.2	(0,0,0,1)
15.42	5.7456	18.0	(1,0,-1,0)
16.45	5.3884	6.4	(0,0,0,2)
17.49	5.0701	29.4	(1,0,-1,1)
22.62	3.9304	19.4	(1,0,-1,2)
24.78	3.5923	4.8	(0,0,0,3)
26.88	3.3172	5.7	(2,-1,-1,0)
28.15	3.1704	11.2	(2,-1,-1,1)
29.32	3.0460	10.7	(1,0,-1,3)
31.13	2.8728	17.8	(2,0,-2,0)
31.13	2.8728	8.9	(2,-2,0,0)
31.67	2.8249	7.1	(2,-1,-1,2)
32.25	2.7759	8.1	(2,0,-2,1)
33.25	2.6942	25.1	(0,0,0,4)
35.41	2.5350	100.0	(2,0,-2,2)
36.85	2.4394	4.1	(1,0,-1,4)
36.88	2.4371	1.1	(1,1,-2,3)
36.88	2.4371	2.1	(2,-1,-1,3)
40.19	2.2436	2.8	(2,0,-2,3)
41.59	2.1716	1.4	(2,1,-3,0)
41.59	2.1716	2.9	(3,-1,-2,0)
42.46	2.1289	2.0	(2,1,-3,1)
42.46	2.1289	4.0	(3,-1,-2,1)
43.26	2.0913	3.4	(2,-1,-1,4)

Get direct link

Energy Properties

Formation Energy/atom

0.17695

eV/atom

Energy/atom

-5.30105

eV/atom

Energy above Hull

0.1770

eV/atom

Uncorrected Energy

-1.3793

eV/atom

Volume/atom

25.68

Å³

c/a Ratio

1.6244

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0081

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.938

Element Family

N/A

Solute Fraction

0.063

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.642

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (2)

aaacgglf aaacggoe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023568

Reference Citation

The crystal structure and related material properties of CsMg15 were obtained from the Materials Project database (MP-ID: mp-1023568, 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_CsMg15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63446728
_cell_length_b   6.63446728
_cell_length_c   10.77688400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsMg15
_chemical_formula_sum   'Cs1 Mg15'
_cell_volume   410.80524957
_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
  Cs  Cs0  1  0.66666700  0.33333300  0.00000000  1.0
  Mg  Mg1  1  0.66666700  0.33333300  0.50000000  1.0
  Mg  Mg2  1  0.16971600  0.33943100  0.00000000  1.0
  Mg  Mg3  1  0.16498100  0.32996100  0.50000000  1.0
  Mg  Mg4  1  0.16971600  0.83028400  0.00000000  1.0
  Mg  Mg5  1  0.16498100  0.83501900  0.50000000  1.0
  Mg  Mg6  1  0.66056900  0.83028400  0.00000000  1.0
  Mg  Mg7  1  0.67003900  0.83501900  0.50000000  1.0
  Mg  Mg8  1  0.01129600  0.50564800  0.26713800  1.0
  Mg  Mg9  1  0.01129600  0.50564800  0.73286200  1.0
  Mg  Mg10  1  0.49435200  0.50564800  0.26713800  1.0
  Mg  Mg11  1  0.49435200  0.50564800  0.73286200  1.0
  Mg  Mg12  1  0.49435200  0.98870400  0.26713800  1.0
  Mg  Mg13  1  0.49435200  0.98870400  0.73286200  1.0
  Mg  Mg14  1  0.00000000  0.00000000  0.24718300  1.0
  Mg  Mg15  1  0.00000000  0.00000000  0.75281700  1.0

Get direct link