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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101129

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-1101129
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Th', 'Pb', 'I']
  • Chemical System: I-Pb-Th
  • Density: 4.608157998119564
  • Atomic Density: 0.019800994299104552
  • Unit Cell Volume: 707.0352017945438
  • Molar Volume: 30.413325053441053
  • Full Formula: Th1 Pb1 I12
  • Reduced Formula: ThPbI12
  • Formula Anonymous: ABC12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -40.909434520000005
  • Final energy per atom: -2.922102465714286
  • 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.