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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211077

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-1211077
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 3
  • Element list: ['Li', 'I', 'O']
  • Chemical System: I-Li-O
  • Density: 3.1373734516115297
  • Atomic Density: 0.07181403829567083
  • Unit Cell Volume: 751.9421171898543
  • Molar Volume: 8.385743098314293
  • Full Formula: Li12 I6 O36
  • Reduced Formula: Li2IO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 169
  • Spacegroup Symbol: P6_1
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -261.24783989
  • Final energy per atom: -4.837922960925926
  • 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.