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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181614

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-1181614
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Mg', 'I', 'O']
  • Chemical System: I-Mg-O
  • Density: 2.1479579678904392
  • Atomic Density: 0.05276604763464393
  • Unit Cell Volume: 530.6442543105388
  • Molar Volume: 11.412908546226078
  • Full Formula: Mg2 I2 O24
  • Reduced Formula: MgIO12
  • Formula Anonymous: ABC12
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -124.31535705
  • Final energy per atom: -4.439834180357143
  • 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.