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  1. Third-Parties
  2. MatprojStructure
  3. mp-766877

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-766877
  • 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: 41
  • Number of elements: 3
  • Element list: ['Si', 'Bi', 'O']
  • Chemical System: Bi-O-Si
  • Density: 7.027543781388004
  • Atomic Density: 0.07038252513126944
  • Unit Cell Volume: 582.5309609669657
  • Molar Volume: 8.556301082929595
  • Full Formula: Si6 Bi9 O26
  • Reduced Formula: Si6Bi9O26
  • Formula Anonymous: A6B9C26
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -291.49876452
  • Final energy per atom: -7.109725963902439
  • 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.