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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193459

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-1193459
  • 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: 30
  • Number of elements: 3
  • Element list: ['Ca', 'I', 'O']
  • Chemical System: Ca-I-O
  • Density: 3.034892558712041
  • Atomic Density: 0.05642306732018646
  • Unit Cell Volume: 531.697432005206
  • Molar Volume: 10.673189257552933
  • Full Formula: Ca2 I4 O24
  • Reduced Formula: Ca(IO6)2
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -143.01812469
  • Final energy per atom: -4.7672708230000005
  • 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.