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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235076

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-1235076
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Hg', 'O']
  • Chemical System: Cr-Hg-Li-O
  • Density: 6.85601520555124
  • Atomic Density: 0.08323045694654349
  • Unit Cell Volume: 180.2224876601851
  • Molar Volume: 7.2355012587133185
  • Full Formula: Li1 Cr4 Hg2 O8
  • Reduced Formula: LiCr4(HgO4)2
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -106.89522005
  • Final energy per atom: -7.126348003333334
  • 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.