Sr11In7
传统材料 TRAMP-ID: mp-642322 · Space group: Fm-3m (#225)
Basic Information
Formula
Sr11In7
MP-ID
mp-642322
Elements
2
Sites
36
Density
4.1473
g/cm³
Volume
1,415.43
ų
Cell a
12.6035
Å
Cell b
12.6034
Å
Cell c
12.6034
Å
α Angle
59.99
°
β Angle
59.99
°
γ Angle
59.99
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 8.59 | 10.2912 | 1.1 | (1,1,1) |
| 8.59 | 10.2899 | 1.1 | (1,0,0) |
| 8.59 | 10.2898 | 1.1 | (0,1,0) |
| 8.59 | 10.2898 | 1.1 | (0,0,1) |
| 9.93 | 8.9115 | 64.7 | (1,1,0) |
| 14.05 | 6.3017 | 4.9 | (2,1,1) |
| 14.05 | 6.3017 | 4.9 | (1,2,1) |
| 14.05 | 6.3017 | 4.9 | (1,1,2) |
| 14.06 | 6.3011 | 4.9 | (1,-1,0) |
| 14.06 | 6.3011 | 4.9 | (1,0,-1) |
| 14.06 | 6.3011 | 4.9 | (0,1,-1) |
| 16.49 | 5.3742 | 1.1 | (2,1,2) |
| 16.50 | 5.3738 | 1.1 | (2,0,1) |
| 17.23 | 5.1456 | 22.4 | (2,2,2) |
| 17.24 | 5.1449 | 22.4 | (2,0,0) |
| 17.24 | 5.1449 | 22.4 | (0,2,0) |
| 17.24 | 5.1449 | 22.4 | (0,0,2) |
| 19.93 | 4.4558 | 1.7 | (0,2,2) |
| 19.93 | 4.4558 | 3.4 | (2,2,0) |
| 21.73 | 4.0892 | 3.8 | (3,2,2) |
| 21.73 | 4.0892 | 1.9 | (2,2,3) |
| 21.73 | 4.0890 | 1.9 | (3,1,1) |
| 21.73 | 4.0890 | 1.9 | (1,3,1) |
| 21.73 | 4.0889 | 1.9 | (1,1,3) |
Energy Properties
Formation Energy/atom
-0.34125
eV/atom
Energy/atom
-2.44852
eV/atom
Energy above Hull
0.0088
eV/atom
Uncorrected Energy
-18.4747
eV/atom
Volume/atom
39.32
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.3188
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.002340
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.611
Element Family
N/A
Solute Fraction
0.389
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.666
Family
Binary Alloy
Matrix Element
Sr · 0.611
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-642322
Reference Citation
The crystal structure and related material properties of Sr11In7 were obtained from the Materials Project database (MP-ID: mp-642322, 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_Sr11In7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.60345229
_cell_length_b 12.60344483
_cell_length_c 12.60338414
_cell_angle_alpha 59.99350028
_cell_angle_beta 59.99355879
_cell_angle_gamma 59.99370998
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr11In7
_chemical_formula_sum 'Sr22 In14'
_cell_volume 1415.42817176
_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 0.83516819 0.50003162 0.50002096 1.0
Sr Sr1 1 0.83517576 0.16482667 0.49999483 1.0
Sr Sr2 1 0.38846993 0.87049415 0.87048333 1.0
Sr Sr3 1 0.49997439 0.49997576 0.16482044 1.0
Sr Sr4 1 0.50002791 0.50002935 0.83516935 1.0
Sr Sr5 1 0.12949694 0.61153487 0.12951854 1.0
Sr Sr6 1 0.49997583 0.16483107 0.49997252 1.0
Sr Sr7 1 0.87048732 0.87048208 0.38846843 1.0
Sr Sr8 1 0.50000107 0.16482781 0.83517255 1.0
Sr Sr9 1 0.87051771 0.87051674 0.87052378 1.0
Sr Sr10 1 0.50000516 0.83517098 0.16482953 1.0
Sr Sr11 1 0.16482868 0.83517583 0.49999947 1.0
Sr Sr12 1 0.50003245 0.83517095 0.50002184 1.0
Sr Sr13 1 0.83516925 0.50000128 0.16483204 1.0
Sr Sr14 1 -0.00000225 -0.00000293 0.00000195 1.0
Sr Sr15 1 0.12948136 0.12948381 0.12948373 1.0
Sr Sr16 1 0.12951291 0.12950831 0.61152701 1.0
Sr Sr17 1 0.16482994 0.49997733 0.49997070 1.0
Sr Sr18 1 0.16482427 0.50000245 0.83517766 1.0
Sr Sr19 1 0.87048917 0.38847229 0.87048705 1.0
Sr Sr20 1 0.50001074 0.50000207 0.49999393 1.0
Sr Sr21 1 0.61153504 0.12949777 0.12951656 1.0
In In22 1 0.21912784 0.78080042 0.78080995 1.0
In In23 1 0.78087558 0.21919062 0.21919203 1.0
In In24 1 0.69008226 0.69008734 0.69009057 1.0
In In25 1 0.78079754 0.78079417 0.21913163 1.0
In In26 1 0.07008153 0.30996648 0.30996184 1.0
In In27 1 0.21919063 0.21919379 0.78087703 1.0
In In28 1 0.30996887 0.07007969 0.30996071 1.0
In In29 1 0.30991342 0.30991780 0.30991317 1.0
In In30 1 0.92992207 0.69003465 0.69003703 1.0
In In31 1 0.69003332 0.92992158 0.69003726 1.0
In In32 1 0.78079705 0.21913314 0.78079781 1.0
In In33 1 0.30996917 0.30997101 0.07007336 1.0
In In34 1 0.21920467 0.78086831 0.21920101 1.0
In In35 1 0.69003031 0.69003575 0.92992742 1.0
