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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182657

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-1182657
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ca', 'B', 'O']
  • Chemical System: B-Ca-O
  • Density: 1.7440637586092929
  • Atomic Density: 0.06324249557362296
  • Unit Cell Volume: 442.74027686659116
  • Molar Volume: 9.5223009550428
  • Full Formula: Ca2 B6 O20
  • Reduced Formula: CaB3O10
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -188.21512119
  • Final energy per atom: -6.7219686139285715
  • 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.