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La7SmTiV7O24

High-Entropy Materials HEA

MP-ID: mp-1075987 · Space group: R3m (#160)

Materials Project API

Basic Information

Formula
La7SmTiV7O24
MP-ID
mp-1075987
Elements
5
Sites
40
Density
6.3692
g/cm³
Volume
498.26
ų
Cell a
7.9278
Å
Cell b
7.9278
Å
Cell c
7.9278
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
R3m
Point Group
3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
22.43 3.9639 39.0 (2,0,0)
31.93 2.8030 100.0 (2,2,0)
31.93 2.8028 100.0 (2,0,-2)
39.37 2.2887 12.0 (2,2,2)
39.37 2.2885 36.1 (2,2,-2)
45.78 1.9820 67.2 (4,0,0)
51.55 1.7728 10.2 (4,2,0)
51.56 1.7727 10.2 (4,0,-2)
56.90 1.6184 19.1 (4,2,2)
56.90 1.6182 38.2 (4,2,-2)
56.90 1.6182 19.1 (4,-2,-2)
66.74 1.4015 19.6 (4,4,0)
66.75 1.4014 19.6 (4,0,-4)
71.38 1.3214 2.1 (4,4,2)
71.39 1.3213 4.2 (4,4,-2)
71.39 1.3213 1.4 (4,2,-4)
71.39 1.3213 2.8 (4,-2,-4)
75.90 1.2535 16.2 (6,2,0)
75.91 1.2535 16.2 (6,0,-2)
80.33 1.1952 3.9 (6,2,2)
80.34 1.1952 2.6 (6,2,-2)
80.34 1.1952 5.1 (6,-2,2)
80.34 1.1951 3.9 (6,-2,-2)
84.70 1.1444 3.3 (4,4,4)
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Energy Properties

Formation Energy/atom
-3.20009
eV/atom
Energy/atom
-8.93770
eV/atom
Energy above Hull
0.1341
eV/atom
Uncorrected Energy
-8.2280
eV/atom
Volume/atom
12.46
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
14.9920
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.030090
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1010
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1535
J/mol·K
Ω Parameter
0.5774
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
53.531%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0300
smaller = more stable mixing
VEC
4.050
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.189
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6841
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (3)
aaacjfym aaadrsid aaaechir

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1075987
Reference Citation

The crystal structure and related material properties of La7SmTiV7O24 were obtained from the Materials Project database (MP-ID: mp-1075987, 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

BibTeX 
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_La7SmTiV7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92779910
_cell_length_b   7.92779910
_cell_length_c   7.92779904
_cell_angle_alpha   89.99598819
_cell_angle_beta   89.99598819
_cell_angle_gamma   89.99598322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7SmTiV7O24
_chemical_formula_sum   'La7 Sm1 Ti1 V7 O24'
_cell_volume   498.26215458
_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
  La  La0  1  0.74685400  0.25268900  0.25268900  1.0
  La  La1  1  0.74730800  0.25316100  0.74730800  1.0
  La  La2  1  0.74730800  0.74730800  0.25316100  1.0
  La  La3  1  0.74802600  0.74802600  0.74802600  1.0
  La  La4  1  0.25268900  0.25268900  0.74685400  1.0
  La  La5  1  0.25268900  0.74685400  0.25268900  1.0
  La  La6  1  0.25316100  0.74730800  0.74730800  1.0
  Sm  Sm7  1  0.25334400  0.25334400  0.25334400  1.0
  Ti  Ti8  1  0.00082600  0.00082600  0.00082600  1.0
  V  V9  1  0.00026400  0.00026400  0.49972000  1.0
  V  V10  1  0.00026400  0.49972000  0.00026400  1.0
  V  V11  1  0.00036000  0.49960900  0.49960900  1.0
  V  V12  1  0.49972000  0.00026400  0.00026400  1.0
  V  V13  1  0.49960900  0.00036000  0.49960900  1.0
  V  V14  1  0.49960900  0.49960900  0.00036000  1.0
  V  V15  1  0.49955100  0.49955100  0.49955100  1.0
  O  O16  1  0.75531600  0.00026000  0.00026000  1.0
  O  O17  1  0.74893900  0.00020700  0.49976700  1.0
  O  O18  1  0.74893900  0.49976700  0.00020700  1.0
  O  O19  1  0.74808900  0.50114700  0.50114700  1.0
  O  O20  1  0.24509100  0.00135900  0.00135900  1.0
  O  O21  1  0.25082700  0.00179800  0.49822500  1.0
  O  O22  1  0.25082700  0.49822500  0.00179800  1.0
  O  O23  1  0.25152800  0.49666800  0.49666800  1.0
  O  O24  1  0.00135900  0.24509100  0.00135900  1.0
  O  O25  1  0.00179800  0.25082700  0.49822500  1.0
  O  O26  1  0.00026000  0.75531600  0.00026000  1.0
  O  O27  1  0.00020700  0.74893900  0.49976700  1.0
  O  O28  1  0.49822500  0.25082700  0.00179800  1.0
  O  O29  1  0.49666800  0.25152800  0.49666800  1.0
  O  O30  1  0.49976700  0.74893900  0.00020700  1.0
  O  O31  1  0.50114700  0.74808900  0.50114700  1.0
  O  O32  1  0.00135900  0.00135900  0.24509100  1.0
  O  O33  1  0.00026000  0.00026000  0.75531600  1.0
  O  O34  1  0.00179800  0.49822500  0.25082700  1.0
  O  O35  1  0.00020700  0.49976700  0.74893900  1.0
  O  O36  1  0.49822500  0.00179800  0.25082700  1.0
  O  O37  1  0.49976700  0.00020700  0.74893900  1.0
  O  O38  1  0.49666800  0.49666800  0.25152800  1.0
  O  O39  1  0.50114700  0.50114700  0.74808900  1.0
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