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  1. Third-Parties
  2. MatprojStructure
  3. mp-12295

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-12295
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Sr', 'La', 'B', 'O']
  • Chemical System: B-La-O-Sr
  • Density: 4.59770822178901
  • Atomic Density: 0.07493790021819004
  • Unit Cell Volume: 1120.928125226683
  • Molar Volume: 8.036174942807133
  • Full Formula: Sr12 La8 B16 O48
  • Reduced Formula: Sr3La2(BO3)4
  • Formula Anonymous: A2B3C4D12
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -687.50677447
  • Final energy per atom: -8.18460445797619
  • 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.