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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208716

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-1208716
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Ta', 'Ni', 'B', 'O']
  • Chemical System: B-Ni-O-Ta
  • Density: 5.654288036765776
  • Atomic Density: 0.10302786723604297
  • Unit Cell Volume: 698.840051061561
  • Molar Volume: 5.845157161414316
  • Full Formula: Ta2 Ni22 B8 O40
  • Reduced Formula: TaNi11(BO5)4
  • Formula Anonymous: AB4C11D20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -538.5116977299999
  • Final energy per atom: -7.4793291351388875
  • 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.