Basic Information
Formula
La3Sn13Rh4
MP-ID
mp-640274
Elements
3
Sites
160
Density
8.1809
g/cm³
Volume
3,851.03
ų
Cell a
17.1028
Å
Cell b
17.1028
Å
Cell c
17.1028
Å
α Angle
109.47
°
β Angle
109.47
°
γ Angle
109.47
°
Space Group
I4_132
Point Group
432
Crystal System
Cubic
Bravais Lattice
cI
Stability
Yes
Packing Fraction
0.6802
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 |
|---|---|---|---|
| 17.97 | 4.9371 | 5.0 | (2,2,-2) |
| 28.59 | 3.1225 | 5.2 | (4,2,-2) |
| 31.38 | 2.8505 | 3.5 | (6,-2,-2) |
| 32.70 | 2.7386 | 100.0 | (5,1,-1) |
| 33.97 | 2.6390 | 37.2 | (6,0,-2) |
| 36.40 | 2.4686 | 22.4 | (4,4,-4) |
| 37.56 | 2.3949 | 14.2 | (5,3,-5) |
| 38.69 | 2.3274 | 4.4 | (0,6,0) |
| 38.69 | 2.3274 | 2.2 | (4,-2,4) |
| 40.87 | 2.2080 | 9.5 | (6,2,-2) |
| 44.97 | 2.0156 | 23.0 | (8,0,-4) |
| 45.95 | 1.9749 | 3.6 | (7,1,-1) |
| 46.92 | 1.9365 | 3.2 | (8,0,-2) |
| 49.72 | 1.8336 | 3.7 | (7,3,-3) |
| 52.42 | 1.7455 | 4.1 | (8,0,0) |
| 54.16 | 1.6934 | 13.8 | (8,2,-2) |
| 55.02 | 1.6691 | 5.0 | (9,1,-3) |
| 55.87 | 1.6457 | 4.7 | (6,2,2) |
| 56.71 | 1.6233 | 1.5 | (7,5,-7) |
| 57.54 | 1.6018 | 16.5 | (10,0,-4) |
| 59.99 | 1.5421 | 7.6 | (9,1,-1) |
| 62.38 | 1.4886 | 13.2 | (10,2,-6) |
| 63.17 | 1.4720 | 4.8 | (9,3,-3) |
| 63.95 | 1.4559 | 7.0 | (10,2,-4) |
Energy Properties
Formation Energy/atom
-0.61115
eV/atom
Energy/atom
-5.43064
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-5.4306
eV/atom
Volume/atom
24.07
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
0.0045
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
Sn · 0.650
Element Family
N/A
Solute Fraction
0.350
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.778
Family
Sn-rich Multi-Component
Matrix Element
Sn · 0.650
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-640274
Reference Citation
The crystal structure and related material properties of La3Sn13Rh4 were obtained from the Materials Project database (MP-ID: mp-640274, 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_La3Sn13Rh4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.10275508
_cell_length_b 17.10275515
_cell_length_c 17.10275516
_cell_angle_alpha 109.47122066
_cell_angle_beta 109.47122075
_cell_angle_gamma 109.47122042
_symmetry_Int_Tables_number 1
_chemical_formula_structural La3Sn13Rh4
_chemical_formula_sum 'La24 Sn104 Rh32'
_cell_volume 3851.02504280
_cell_formula_units_Z 8
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
La La0 1 0.87558613 0.62441387 0.75000000 1.0
La La1 1 0.12510507 0.37489493 0.25000000 1.0
La La2 1 0.12558613 0.75000000 0.37441387 1.0
La La3 1 0.75000000 0.37441387 0.12558613 1.0
La La4 1 0.37489493 0.25000000 0.12510507 1.0
La La5 1 0.25021013 0.87510507 0.12510507 1.0
La La6 1 0.12510507 0.25021013 0.87510507 1.0
La La7 1 0.37441387 0.12558613 0.75000000 1.0
La La8 1 0.87510507 0.25000000 0.62489493 1.0
La La9 1 0.75117225 0.12558613 0.87558613 1.0
La La10 1 0.62489493 0.24978987 0.37489493 1.0
La La11 1 0.62441387 0.37441387 0.74882775 1.0
La La12 1 0.12558613 0.87558613 0.75117225 1.0
La La13 1 0.62441387 0.75000000 0.87558613 1.0
La La14 1 0.25000000 0.12510507 0.37489493 1.0
La La15 1 0.37441387 0.74882775 0.62441387 1.0
La La16 1 0.62489493 0.87510507 0.25000000 1.0
La La17 1 0.87558613 0.75117225 0.12558613 1.0
La La18 1 0.87510507 0.12510507 0.25021013 1.0
La La19 1 0.74882775 0.62441387 0.37441387 1.0
La La20 1 0.25000000 0.62489493 0.87510507 1.0
La La21 1 0.24978987 0.37489493 0.62489493 1.0
La La22 1 0.75000000 0.87558613 0.62441387 1.0
La La23 1 0.37489493 0.62489493 0.24978987 1.0
Sn Sn24 1 0.42338988 0.07643502 0.34645805 1.0
Sn Sn25 1 0.07643502 0.22997697 0.65304514 1.0
Sn Sn26 1 0.00177008 0.50000000 0.00000000 1.0
Sn Sn27 1 0.57755419 0.34605739 0.92320935 1.0
Sn Sn28 1 0.93068344 0.07410564 0.85653586 1.0
Sn Sn29 1 0.92320935 0.57755419 0.34605739 1.0
Sn Sn30 1 0.64346414 0.71756978 0.07414759 1.0
Sn Sn31 1 0.07977642 0.92128786 0.15872215 1.0
Sn Sn32 1 0.26256571 0.84151144 0.92128786 1.0
Sn Sn33 1 0.84151144 0.92128786 0.26256571 1.0
Sn Sn34 1 0.65848856 0.23743429 0.57871214 1.0
Sn Sn35 1 0.64346414 0.42589436 0.56931656 1.0
Sn Sn36 1 0.35657780 0.78243022 0.42589436 1.0
Sn Sn37 1 0.65434484 0.57679065 0.92284804 1.0
Sn Sn38 1 0.57871214 0.65848856 0.23743429 1.0
Sn Sn39 1 0.84695486 0.07693183 0.42338988 1.0
Sn Sn40 1 0.57871214 0.42022358 0.34127785 1.0
Sn Sn41 1 0.22997697 0.65304514 0.07643502 1.0
Sn Sn42 1 0.85653586 0.42585241 0.78243022 1.0
Sn Sn43 1 0.07643502 0.34645805 0.42338988 1.0
Sn Sn44 1 0.07693183 0.42338988 0.84695486 1.0
Sn Sn45 1 0.93068344 0.35657780 0.07414759 1.0
Sn Sn46 1 0.85653586 0.93068344 0.07410564 1.0
Sn Sn47 1 0.71756978 0.07414759 0.64346414 1.0
Sn Sn48 1 0.92128786 0.26256571 0.84151144 1.0
Sn Sn49 1 0.71756978 0.14342220 0.07410564 1.0
Sn Sn50 1 0.57894573 0.84151144 0.42022358 1.0
Sn Sn51 1 0.22997697 0.07693183 0.15354195 1.0
Sn Sn52 1 0.42022358 0.57894573 0.84151144 1.0
Sn Sn53 1 0.35657780 0.07414759 0.93068344 1.0
Sn Sn54 1 0.92128786 0.15872215 0.07977642 1.0
Sn Sn55 1 0.92320935 0.84565516 0.57715196 1.0
Sn Sn56 1 0.07410564 0.85653586 0.93068344 1.0
Sn Sn57 1 0.42306817 0.65304514 0.07661012 1.0
Sn Sn58 1 0.14342220 0.56931656 0.42585241 1.0
Sn Sn59 1 0.23743429 0.15872215 0.57894573 1.0
Sn Sn60 1 0.57755419 0.73149680 0.65434484 1.0
Sn Sn61 1 0.49822992 0.50000000 1.00000000 1.0
Sn Sn62 1 0.57894573 0.23743429 0.15872215 1.0
Sn Sn63 1 0.84565516 0.76850320 0.92244581 1.0
Sn Sn64 1 0.07414759 0.64346414 0.71756978 1.0
Sn Sn65 1 0.15394261 0.92244581 0.57679065 1.0
Sn Sn66 1 0.49822992 0.49822992 0.49822992 1.0
Sn Sn67 1 0.73149680 0.57715196 0.15394261 1.0
Sn Sn68 1 0.65434484 0.57755419 0.73149680 1.0
Sn Sn69 1 0.57715196 0.92320935 0.84565516 1.0
Sn Sn70 1 0.92105427 0.07977642 0.65848856 1.0
Sn Sn71 1 0.56931656 0.64346414 0.42589436 1.0
Sn Sn72 1 0.92284804 0.76850320 0.34605739 1.0
Sn Sn73 1 0.56931656 0.42585241 0.14342220 1.0
Sn Sn74 1 0.15394261 0.73149680 0.57715196 1.0
Sn Sn75 1 0.42589436 0.56931656 0.64346414 1.0
Sn Sn76 1 0.84695486 0.27002303 0.42356498 1.0
Sn Sn77 1 0.42585241 0.78243022 0.85653586 1.0
Sn Sn78 1 0.34645805 0.42338988 0.07643502 1.0
Sn Sn79 1 0.78243022 0.42589436 0.35657780 1.0
Sn Sn80 1 0.84565516 0.57715196 0.92320935 1.0
Sn Sn81 1 0.07410564 0.71756978 0.14342220 1.0
Sn Sn82 1 0.15354195 0.22997697 0.07693183 1.0
Sn Sn83 1 0.23743429 0.57871214 0.65848856 1.0
Sn Sn84 1 0.65848856 0.92105427 0.07977642 1.0
Sn Sn85 1 0.34605739 0.92284804 0.76850320 1.0
Sn Sn86 1 0.50000000 0.00000000 0.49822992 1.0
Sn Sn87 1 0.42338988 0.84695486 0.07693183 1.0
Sn Sn88 1 0.92244581 0.84565516 0.76850320 1.0
Sn Sn89 1 0.34605739 0.92320935 0.57755419 1.0
Sn Sn90 1 0.65304514 0.07643502 0.22997697 1.0
Sn Sn91 1 0.15354195 0.42356498 0.07661012 1.0
Sn Sn92 1 0.15872215 0.07977642 0.92128786 1.0
Sn Sn93 1 0.57679065 0.92284804 0.65434484 1.0
Sn Sn94 1 0.00177008 0.00177008 0.00177008 1.0
Sn Sn95 1 0.78243022 0.85653586 0.42585241 1.0
Sn Sn96 1 0.76850320 0.92244581 0.84565516 1.0
Sn Sn97 1 0.92105427 0.34127785 0.26256571 1.0
Sn Sn98 1 0.42589436 0.35657780 0.78243022 1.0
Sn Sn99 1 0.34127785 0.57871214 0.42022358 1.0
Sn Sn100 1 0.07661012 0.15354195 0.42356498 1.0
Sn Sn101 1 0.00000000 0.49822992 0.50000000 1.0
Sn Sn102 1 0.07414759 0.93068344 0.35657780 1.0
Sn Sn103 1 0.42022358 0.34127785 0.57871214 1.0
Sn Sn104 1 0.65304514 0.07661012 0.42306817 1.0
Sn Sn105 1 0.42356498 0.07661012 0.15354195 1.0
Sn Sn106 1 0.27002303 0.42356498 0.84695486 1.0
Sn Sn107 1 0.34127785 0.26256571 0.92105427 1.0
Sn Sn108 1 0.50000000 0.00000000 0.00177008 1.0
Sn Sn109 1 0.26256571 0.92105427 0.34127785 1.0
Sn Sn110 1 0.57715196 0.15394261 0.73149680 1.0
Sn Sn111 1 0.07693183 0.15354195 0.22997697 1.0
Sn Sn112 1 0.27002303 0.34645805 0.42306817 1.0
Sn Sn113 1 0.14342220 0.07410564 0.71756978 1.0
Sn Sn114 1 0.57679065 0.15394261 0.92244581 1.0
Sn Sn115 1 1.00000000 0.00177008 0.50000000 1.0
Sn Sn116 1 0.92244581 0.57679065 0.15394261 1.0
Sn Sn117 1 0.92284804 0.65434484 0.57679065 1.0
Sn Sn118 1 0.07661012 0.42306817 0.65304514 1.0
Sn Sn119 1 0.34645805 0.42306817 0.27002303 1.0
Sn Sn120 1 0.76850320 0.34605739 0.92284804 1.0
Sn Sn121 1 0.42356498 0.84695486 0.27002303 1.0
Sn Sn122 1 0.42585241 0.14342220 0.56931656 1.0
Sn Sn123 1 0.42306817 0.27002303 0.34645805 1.0
Sn Sn124 1 0.84151144 0.42022358 0.57894573 1.0
Sn Sn125 1 0.15872215 0.57894573 0.23743429 1.0
Sn Sn126 1 0.07977642 0.65848856 0.92105427 1.0
Sn Sn127 1 0.73149680 0.65434484 0.57755419 1.0
Rh Rh128 1 0.50024783 0.75024783 0.50049567 1.0
Rh Rh129 1 0.24982775 0.49965550 0.49982775 1.0
Rh Rh130 1 0.49965550 0.49982775 0.24982775 1.0
Rh Rh131 1 0.75024783 0.50049567 0.50024783 1.0
Rh Rh132 1 0.00034450 0.25017225 0.00017225 1.0
Rh Rh133 1 0.50000000 0.00000000 0.75000000 1.0
Rh Rh134 1 0.25000000 0.75024783 0.74975217 1.0
Rh Rh135 1 0.74975217 0.99975217 0.99950433 1.0
Rh Rh136 1 0.00017225 0.49982775 0.75000000 1.0
Rh Rh137 1 0.25000000 0.25000000 0.25000000 1.0
Rh Rh138 1 0.25000000 0.50000000 0.00000000 1.0
Rh Rh139 1 0.74975217 0.25000000 0.75024783 1.0
Rh Rh140 1 0.99975217 0.99950433 0.74975217 1.0
Rh Rh141 1 0.50000000 0.00000000 0.25000000 1.0
Rh Rh142 1 0.00017225 0.00034450 0.25017225 1.0
Rh Rh143 1 0.00000000 0.25000000 0.50000000 1.0
Rh Rh144 1 0.25017225 0.00017225 0.00034450 1.0
Rh Rh145 1 0.49982775 0.75000000 0.00017225 1.0
Rh Rh146 1 0.75000000 0.24982775 0.25017225 1.0
Rh Rh147 1 0.49982775 0.24982775 0.49965550 1.0
Rh Rh148 1 0.75024783 0.74975217 0.25000000 1.0
Rh Rh149 1 0.50024783 0.25000000 0.99975217 1.0
Rh Rh150 1 0.75000000 0.75000000 0.75000000 1.0
Rh Rh151 1 0.50049567 0.50024783 0.75024783 1.0
Rh Rh152 1 0.00000000 0.75000000 0.50000000 1.0
Rh Rh153 1 0.25017225 0.75000000 0.24982775 1.0
Rh Rh154 1 0.25000000 0.99975217 0.50024783 1.0
Rh Rh155 1 0.75000000 0.00017225 0.49982775 1.0
Rh Rh156 1 0.99950433 0.74975217 0.99975217 1.0
Rh Rh157 1 0.75000000 0.50000000 0.00000000 1.0
Rh Rh158 1 0.99975217 0.50024783 0.25000000 1.0
Rh Rh159 1 0.24982775 0.25017225 0.75000000 1.0
