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  1. Third-Parties
  2. MatprojStructure
  3. mp-556077

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-556077
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 53
  • Number of elements: 6
  • Element list: ['Zn', 'Cr', 'Si', 'Pb', 'O', 'F']
  • Chemical System: Cr-F-O-Pb-Si-Zn
  • Density: 6.1074085605172455
  • Atomic Density: 0.06379646217655342
  • Unit Cell Volume: 830.7670706461
  • Molar Volume: 9.439615543780526
  • Full Formula: Zn1 Cr6 Si2 Pb10 O32 F2
  • Reduced Formula: ZnCr6Si2Pb10(O16F)2
  • Formula Anonymous: AB2C2D6E10F32
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -371.7397228
  • Final energy per atom: -7.013957033962264
  • 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.