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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180390

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-1180390
  • 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: 56
  • Number of elements: 4
  • Element list: ['Mg', 'Te', 'I', 'O']
  • Chemical System: I-Mg-O-Te
  • Density: 4.7068301548292935
  • Atomic Density: 0.03931651809936131
  • Unit Cell Volume: 1424.3377264099515
  • Molar Volume: 15.317075496819818
  • Full Formula: Mg4 Te4 I24 O24
  • Reduced Formula: MgTe(IO)6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -200.49480948
  • Final energy per atom: -3.5802644549999996
  • 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.