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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220034

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-1220034
  • 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: 14
  • Number of elements: 4
  • Element list: ['P', 'H', 'Pb', 'O']
  • Chemical System: H-O-P-Pb
  • Density: 5.451057101264049
  • Atomic Density: 0.07579317936475691
  • Unit Cell Volume: 184.71319078230758
  • Molar Volume: 7.945491679427078
  • Full Formula: P2 H2 Pb2 O8
  • Reduced Formula: PHPbO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -95.10441655
  • Final energy per atom: -6.793172610714286
  • 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.