SrSi6

Traditional Materials TRA

MP-ID: mp-1009 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

SrSi6

MP-ID

mp-1009

Elements

Sites

Density

3.1328

g/cm³

Volume

271.53

Å³

Cell a

5.6324

Cell b

5.6324

Cell c

11.7092

α Angle

90.00

β Angle

90.00

γ Angle

133.03

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
15.13	5.8546	7.2	(0,0,2)
17.17	5.1658	9.3	(1,-1,0)
22.90	3.8841	29.2	(1,0,1)
22.96	3.8735	7.1	(1,-1,2)
26.47	3.3678	18.8	(1,0,2)
28.67	3.1141	2.0	(1,-1,3)
31.59	2.8326	100.0	(1,0,3)
32.78	2.7324	9.5	(2,-1,0)
33.68	2.6609	61.7	(2,-1,1)
34.73	2.5829	32.1	(2,-2,0)
35.24	2.5468	73.9	(1,-1,4)
35.59	2.5223	12.3	(2,-2,1)
36.28	2.4760	1.7	(2,-1,2)
40.18	2.2445	43.6	(1,1,0)
40.29	2.2384	14.5	(2,-1,3)
41.94	2.1540	3.9	(2,-2,3)
42.38	2.1329	5.2	(1,-1,5)
43.17	2.0958	1.4	(1,1,2)
43.99	2.0586	2.0	(2,0,0)
44.51	2.0356	6.0	(1,0,5)
46.54	1.9515	2.9	(0,0,6)
46.78	1.9420	2.5	(2,0,2)
46.91	1.9368	3.0	(2,-2,4)
49.96	1.8256	2.8	(1,-1,6)

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Energy Properties

Formation Energy/atom

-0.06114

eV/atom

Energy/atom

-9.74518

eV/atom

Energy above Hull

0.1136

eV/atom

Uncorrected Energy

-4.9753

eV/atom

Volume/atom

19.39

Å³

c/a Ratio

2.0789

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

μB

Mag. Ordering

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

Si · 0.857

Element Family

N/A

Solute Fraction

0.143

Interstitial Fraction

0.857

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.548

Family

Binary Alloy

Matrix Element

Si · 0.857

Related Tasks

Related computation task IDs (5)

aaadebuc aaadnify aaadrjhw aaaetzcw aaafsdsr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1009

Reference Citation

The crystal structure and related material properties of SrSi6 were obtained from the Materials Project database (MP-ID: mp-1009, 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…

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Raw CIF Data

# generated using pymatgen
data_SrSi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63236495
_cell_length_b   5.63236495
_cell_length_c   11.70916500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   133.03077529
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSi6
_chemical_formula_sum   'Sr2 Si12'
_cell_volume   271.52968518
_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
  Sr  Sr0  1  0.27562900  0.72437100  0.25000000  1.0
  Sr  Sr1  1  0.72437100  0.27562900  0.75000000  1.0
  Si  Si2  1  0.97753000  0.02247000  0.10070800  1.0
  Si  Si3  1  0.02247000  0.97753000  0.89929200  1.0
  Si  Si4  1  0.75393400  0.24606600  0.46224100  1.0
  Si  Si5  1  0.24606600  0.75393400  0.53775900  1.0
  Si  Si6  1  0.24606600  0.75393400  0.96224100  1.0
  Si  Si7  1  0.75393400  0.24606600  0.03775900  1.0
  Si  Si8  1  0.44060700  0.55939300  0.64732400  1.0
  Si  Si9  1  0.55939300  0.44060700  0.35267600  1.0
  Si  Si10  1  0.55939300  0.44060700  0.14732400  1.0
  Si  Si11  1  0.44060700  0.55939300  0.85267600  1.0
  Si  Si12  1  0.97753000  0.02247000  0.39929200  1.0
  Si  Si13  1  0.02247000  0.97753000  0.60070800  1.0

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