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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210081

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-1210081
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Na', 'Ti', 'Cu', 'Bi', 'O']
  • Chemical System: Bi-Cu-Na-O-Ti
  • Density: 5.502572619930707
  • Atomic Density: 0.09603837332930369
  • Unit Cell Volume: 416.50018230572226
  • Molar Volume: 6.270556811026802
  • Full Formula: Na1 Ti8 Cu6 Bi1 O24
  • Reduced Formula: NaTi8Cu6BiO24
  • Formula Anonymous: ABC6D8E24
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -312.4769459
  • Final energy per atom: -7.8119236475
  • 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.