Basic Information
Formula
Sr19In8N7
MP-ID
mp-641775
Elements
3
Sites
34
Density
4.6383
g/cm³
Volume
959.94
ų
Cell a
11.0727
Å
Cell b
11.0727
Å
Cell c
11.0727
Å
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
cF
Stability
Yes
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 |
|---|---|---|---|
| 11.30 | 7.8296 | 3.6 | (1,1,0) |
| 16.01 | 5.5364 | 3.2 | (2,1,1) |
| 16.01 | 5.5363 | 3.2 | (1,0,-1) |
| 19.64 | 4.5204 | 1.8 | (2,0,0) |
| 22.71 | 3.9148 | 1.2 | (2,2,0) |
| 29.64 | 3.0136 | 33.3 | (3,3,3) |
| 29.64 | 3.0136 | 100.0 | (3,0,0) |
| 34.36 | 2.6099 | 77.1 | (4,1,1) |
| 37.67 | 2.3880 | 1.5 | (1,4,0) |
| 37.67 | 2.3880 | 1.1 | (3,-1,-1) |
| 44.44 | 2.0386 | 2.3 | (3,2,-2) |
| 47.90 | 1.8990 | 1.2 | (5,4,1) |
| 47.90 | 1.8990 | 1.1 | (5,1,0) |
| 49.38 | 1.8455 | 16.9 | (3,6,3) |
| 49.38 | 1.8455 | 8.5 | (5,5,2) |
| 49.38 | 1.8455 | 8.7 | (3,3,-2) |
| 49.38 | 1.8455 | 16.6 | (3,0,-3) |
| 58.66 | 1.5738 | 8.2 | (4,7,4) |
| 58.66 | 1.5738 | 4.1 | (6,6,3) |
| 58.66 | 1.5738 | 4.1 | (3,0,6) |
| 58.66 | 1.5738 | 20.5 | (6,3,0) |
| 58.66 | 1.5738 | 4.1 | (3,-3,3) |
| 58.66 | 1.5738 | 8.3 | (3,3,-3) |
| 61.54 | 1.5068 | 4.0 | (6,6,6) |
Energy Properties
Formation Energy/atom
-0.58595
eV/atom
Energy/atom
-3.89764
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.3101
eV/atom
Volume/atom
28.23
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0011
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.559
Element Family
N/A
Solute Fraction
0.441
Interstitial Fraction
0.206
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.546
Family
Interstitial Alloy
Matrix Element
Sr · 0.559
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-641775
Reference Citation
The crystal structure and related material properties of Sr19In8N7 were obtained from the Materials Project database (MP-ID: mp-641775, 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_Sr19In8N7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.07269008
_cell_length_b 11.07269075
_cell_length_c 11.07269140
_cell_angle_alpha 59.99989716
_cell_angle_beta 59.99989357
_cell_angle_gamma 59.99989746
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr19In8N7
_chemical_formula_sum 'Sr19 In8 N7'
_cell_volume 959.93867669
_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
Sr Sr0 1 0.16665531 0.83334501 0.16665500 1.0
Sr Sr1 1 0.82968498 0.50000001 0.17031501 1.0
Sr Sr2 1 0.82968510 0.49999986 0.49999989 1.0
Sr Sr3 1 0.83334475 0.16665521 0.16665519 1.0
Sr Sr4 1 0.82968504 0.17031510 0.49999994 1.0
Sr Sr5 1 0.83334483 0.16665500 0.83334494 1.0
Sr Sr6 1 0.17031484 0.50000007 0.82968485 1.0
Sr Sr7 1 0.49999988 0.49999988 0.82968495 1.0
Sr Sr8 1 0.16665519 0.16665517 0.83334490 1.0
Sr Sr9 1 0.50000014 0.50000005 0.17031497 1.0
Sr Sr10 1 0.50000011 0.17031506 0.50000005 1.0
Sr Sr11 1 0.49999975 0.82968513 0.49999979 1.0
Sr Sr12 1 0.17031510 0.82968497 0.49999998 1.0
Sr Sr13 1 0.17031501 0.50000013 0.50000022 1.0
Sr Sr14 1 0.50000002 0.50000000 0.49999999 1.0
Sr Sr15 1 0.16665513 0.83334479 0.83334492 1.0
Sr Sr16 1 0.50000006 0.17031510 0.82968499 1.0
Sr Sr17 1 0.50000007 0.82968505 0.17031498 1.0
Sr Sr18 1 0.83334478 0.83334488 0.16665507 1.0
In In19 1 0.17877463 0.17877423 0.46367665 1.0
In In20 1 0.82122559 0.82122574 0.53632350 1.0
In In21 1 0.82122530 0.53632295 0.82122618 1.0
In In22 1 0.17877485 0.46367687 0.17877392 1.0
In In23 1 0.17877437 0.17877391 0.17877341 1.0
In In24 1 0.46367739 0.17877434 0.17877393 1.0
In In25 1 0.82122576 0.82122602 0.82122678 1.0
In In26 1 0.53632285 0.82122557 0.82122594 1.0
N N27 1 0.32590005 0.32590004 0.67409991 1.0
N N28 1 0.67409995 0.67410002 0.32590011 1.0
N N29 1 0.67410007 0.32590003 0.67409994 1.0
N N30 1 0.32590003 0.67409993 0.32590000 1.0
N N31 1 0.67410000 0.32589998 0.32590005 1.0
N N32 1 0.32590004 0.67409998 0.67409998 1.0
N N33 1 0.00000004 -0.00000008 0.00000006 1.0
