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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226691

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-1226691
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 3
  • Element list: ['Cu', 'B', 'O']
  • Chemical System: B-Cu-O
  • Density: 4.243977815468392
  • Atomic Density: 0.0912020479558258
  • Unit Cell Volume: 1447.3359201751139
  • Molar Volume: 6.603076241135348
  • Full Formula: Cu36 B24 O72
  • Reduced Formula: Cu3(BO3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -895.11107159
  • Final energy per atom: -6.781144481742425
  • 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.