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  1. Third-Parties
  2. MatprojStructure
  3. mp-734098

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-734098
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 6
  • Element list: ['Ca', 'Al', 'Fe', 'Si', 'B', 'O']
  • Chemical System: Al-B-Ca-Fe-O-Si
  • Density: 3.2484700167419764
  • Atomic Density: 0.08937351144289715
  • Unit Cell Volume: 581.8278722686646
  • Molar Volume: 6.738171817102305
  • Full Formula: Ca4 Al4 Fe2 Si8 B2 O32
  • Reduced Formula: Ca2Al2FeSi4BO16
  • Formula Anonymous: ABC2D2E4F16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -417.92336385
  • Final energy per atom: -8.036987766346154
  • 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.