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  1. Third-Parties
  2. MatprojStructure
  3. mp-753471

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-753471
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Li', 'Cu', 'B', 'O']
  • Chemical System: B-Cu-Li-O
  • Density: 3.7667336175653516
  • Atomic Density: 0.10526434678625479
  • Unit Cell Volume: 227.9974248900566
  • Molar Volume: 5.720969106689369
  • Full Formula: Li4 Cu4 B4 O12
  • Reduced Formula: LiCuBO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -159.33049223
  • Final energy per atom: -6.638770509583334
  • 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.