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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201096

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-1201096
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 5
  • Element list: ['Ca', 'Cr', 'Bi', 'Mo', 'O']
  • Chemical System: Bi-Ca-Cr-Mo-O
  • Density: 6.848253762190251
  • Atomic Density: 0.060793535927798306
  • Unit Cell Volume: 1710.7081931130972
  • Molar Volume: 9.905889940588784
  • Full Formula: Ca2 Cr2 Bi24 Mo8 O68
  • Reduced Formula: CaCrBi12(Mo2O17)2
  • Formula Anonymous: ABC4D12E34
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -735.9037411500001
  • Final energy per atom: -7.075997511057693
  • 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.