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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217061

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-1217061
  • 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: 28
  • Number of elements: 4
  • Element list: ['Ti', 'Co', 'B', 'O']
  • Chemical System: B-Co-O-Ti
  • Density: 4.422238732612918
  • Atomic Density: 0.09961393808137081
  • Unit Cell Volume: 281.085162772381
  • Molar Volume: 6.04548005629568
  • Full Formula: Ti2 Co6 B4 O16
  • Reduced Formula: TiCo3(BO4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -228.99751136
  • Final energy per atom: -8.178482548571429
  • 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.