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  1. Third-Parties
  2. MatprojStructure
  3. mp-570132

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-570132
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Mg', 'B', 'I', 'N']
  • Chemical System: B-I-Mg-N
  • Density: 2.3614720530843183
  • Atomic Density: 0.06621319338684964
  • Unit Cell Volume: 724.9310529332226
  • Molar Volume: 9.095076754289328
  • Full Formula: Mg16 B10 I2 N20
  • Reduced Formula: Mg8B5IN10
  • Formula Anonymous: AB5C8D10
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -316.35799357
  • Final energy per atom: -6.590791532708334
  • 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.