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  1. Third-Parties
  2. MatprojStructure
  3. mp-560165

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-560165
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Cu', 'Bi', 'O']
  • Chemical System: Bi-Cu-O
  • Density: 8.148478924013306
  • Atomic Density: 0.06296906304345413
  • Unit Cell Volume: 222.33140090299236
  • Molar Volume: 9.563649940041508
  • Full Formula: Cu2 Bi4 O8
  • Reduced Formula: Cu(BiO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 108
  • Spacegroup Symbol: I4cm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -82.42605608999999
  • Final energy per atom: -5.887575435
  • 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.