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  1. Third-Parties
  2. MatprojStructure
  3. mp-772176

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-772176
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['Li', 'Nb', 'O']
  • Chemical System: Li-Nb-O
  • Density: 4.570371872213163
  • Atomic Density: 0.08185142140565177
  • Unit Cell Volume: 708.6010114907442
  • Molar Volume: 7.357405230820068
  • Full Formula: Li6 Nb14 O38
  • Reduced Formula: Li3Nb7O19
  • Formula Anonymous: A3B7C19
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -508.28027094
  • Final energy per atom: -8.76345294724138
  • 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.