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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181127

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-1181127
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 47
  • Number of elements: 5
  • Element list: ['Li', 'Ga', 'Te', 'H', 'O']
  • Chemical System: Ga-H-Li-O-Te
  • Density: 3.4747779859796823
  • Atomic Density: 0.07102481824726016
  • Unit Cell Volume: 661.7405177494145
  • Molar Volume: 8.478924562728198
  • Full Formula: Li2 Ga3 Te6 H12 O24
  • Reduced Formula: Li2Ga3Te6(HO2)12
  • Formula Anonymous: A2B3C6D12E24
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -264.05391029
  • Final energy per atom: -5.618168304042553
  • 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.