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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233753

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-1233753
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 4
  • Element list: ['Mg', 'I', 'O', 'F']
  • Chemical System: F-I-Mg-O
  • Density: 3.4946040463542105
  • Atomic Density: 0.05612015167317416
  • Unit Cell Volume: 801.8510046456329
  • Molar Volume: 10.730799152274257
  • Full Formula: Mg1 I8 O12 F24
  • Reduced Formula: MgI8(OF2)12
  • Formula Anonymous: AB8C12D24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -189.68861039
  • Final energy per atom: -4.215302453111112
  • 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.