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  1. Third-Parties
  2. MatprojStructure
  3. mp-768887

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-768887
  • 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: 3
  • Element list: ['Y', 'B', 'O']
  • Chemical System: B-O-Y
  • Density: 4.134630861858895
  • Atomic Density: 0.11456645458736701
  • Unit Cell Volume: 349.1423396496614
  • Molar Volume: 5.256460786614974
  • Full Formula: Y4 B12 O24
  • Reduced Formula: Y(BO2)3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -350.18138082
  • Final energy per atom: -8.7545345205
  • 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.