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  1. Third-Parties
  2. MatprojStructure
  3. mp-630376

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-630376
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['Sb', 'Pb', 'S']
  • Chemical System: Pb-S-Sb
  • Density: 5.730661285442892
  • Atomic Density: 0.039732761331061
  • Unit Cell Volume: 1459.7525582662845
  • Molar Volume: 15.156612725258046
  • Full Formula: Sb12 Pb12 S34
  • Reduced Formula: Sb6Pb6S17
  • Formula Anonymous: A6B6C17
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -271.02666775
  • Final energy per atom: -4.672873581896551
  • 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.