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  1. Third-Parties
  2. MatprojStructure
  3. mp-653995

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-653995
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 4
  • Element list: ['As', 'Pb', 'Cl', 'O']
  • Chemical System: As-Cl-O-Pb
  • Density: 5.7224356060553605
  • Atomic Density: 0.04259927562279475
  • Unit Cell Volume: 2723.050998029852
  • Molar Volume: 14.136721040339873
  • Full Formula: As16 Pb32 Cl24 O44
  • Reduced Formula: As4Pb8Cl6O11
  • Formula Anonymous: A4B6C8D11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -638.1905836000001
  • Final energy per atom: -5.501642962068966
  • 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.