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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227802

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-1227802
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Ca', 'Al', 'Pb', 'O', 'F']
  • Chemical System: Al-Ca-F-O-Pb
  • Density: 4.416749599946831
  • Atomic Density: 0.07168990630942329
  • Unit Cell Volume: 362.6730921893034
  • Molar Volume: 8.400263119340162
  • Full Formula: Ca4 Al2 Pb2 O2 F16
  • Reduced Formula: Ca2AlPbOF8
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -155.20640718
  • Final energy per atom: -5.96947719923077
  • 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.