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  1. Third-Parties
  2. MatprojStructure
  3. mp-686183

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-686183
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 127
  • Number of elements: 3
  • Element list: ['Zn', 'Bi', 'O']
  • Chemical System: Bi-O-Zn
  • Density: 8.634133333749023
  • Atomic Density: 0.056293877993710745
  • Unit Cell Volume: 2256.017963697379
  • Molar Volume: 10.697683255491485
  • Full Formula: Zn1 Bi50 O76
  • Reduced Formula: Zn(Bi25O38)2
  • Formula Anonymous: AB50C76
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -775.66556441
  • Final energy per atom: -6.107602869370079
  • 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.