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  1. Third-Parties
  2. MatprojStructure
  3. mp-1049311

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-1049311
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Ho', 'Bi', 'O']
  • Chemical System: Bi-Ca-Ho-O
  • Density: 7.852489397107229
  • Atomic Density: 0.06577338574196058
  • Unit Cell Volume: 304.0743573466504
  • Molar Volume: 9.155892907240345
  • Full Formula: Ca2 Ho2 Bi4 O12
  • Reduced Formula: CaHo(BiO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -137.51036917
  • Final energy per atom: -6.875518458499999
  • 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.