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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217362

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-1217362
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Th', 'V', 'Pb', 'O']
  • Chemical System: O-Pb-Th-V
  • Density: 6.705185788966459
  • Atomic Density: 0.07241714196046348
  • Unit Cell Volume: 165.7066224258265
  • Molar Volume: 8.315905042604165
  • Full Formula: Th1 V2 Pb1 O8
  • Reduced Formula: ThV2PbO8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -101.99154534
  • Final energy per atom: -8.499295445
  • 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.