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  1. Third-Parties
  2. MatprojStructure
  3. mp-684007

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-684007
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 3
  • Element list: ['Ba', 'In', 'N']
  • Chemical System: Ba-In-N
  • Density: 5.207285166761715
  • Atomic Density: 0.030787886472162396
  • Unit Cell Volume: 2403.5427071913127
  • Molar Volume: 19.560097980239934
  • Full Formula: Ba38 In18 N18
  • Reduced Formula: Ba19(InN)9
  • Formula Anonymous: A9B9C19
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -310.44299163
  • Final energy per atom: -4.1951755625675675
  • 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.