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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193122

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-1193122
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Li', 'V', 'H', 'O']
  • Chemical System: H-Li-O-V
  • Density: 1.6866897960723615
  • Atomic Density: 0.10830037890811259
  • Unit Cell Volume: 240.07302894165946
  • Molar Volume: 5.56059066525472
  • Full Formula: Li3 V1 H12 O10
  • Reduced Formula: Li3V(H6O5)2
  • Formula Anonymous: AB3C10D12
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -147.88535452
  • Final energy per atom: -5.687898250769231
  • 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.