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  1. Third-Parties
  2. MatprojStructure
  3. mp-31055

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-31055
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Sc', 'In', 'N']
  • Chemical System: In-N-Sc
  • Density: 4.88745373059805
  • Atomic Density: 0.05580921239208389
  • Unit Cell Volume: 89.59094360394901
  • Molar Volume: 10.790585464084053
  • Full Formula: Sc3 In1 N1
  • Reduced Formula: Sc3InN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -36.04497948
  • Final energy per atom: -7.208995896
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.