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  1. Third-Parties
  2. MatprojStructure
  3. mp-1517648

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-1517648
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Ba', 'La', 'V', 'O']
  • Chemical System: Ba-La-O-V
  • Density: 5.943100648495937
  • Atomic Density: 0.06385433827897916
  • Unit Cell Volume: 626.4257226383004
  • Molar Volume: 9.431059693531408
  • Full Formula: Ba8 La4 V4 O24
  • Reduced Formula: Ba2LaVO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 201
  • Spacegroup Symbol: Pn-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -313.72219881
  • Final energy per atom: -7.84305497025
  • 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.