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  1. Third-Parties
  2. MatprojStructure
  3. mp-557672

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-557672
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Ga', 'Pb', 'S']
  • Chemical System: Ga-Pb-S
  • Density: 5.548515501302367
  • Atomic Density: 0.042108328723077196
  • Unit Cell Volume: 1709.87550879788
  • Molar Volume: 14.301543050079793
  • Full Formula: Ga16 Pb16 S40
  • Reduced Formula: Ga2Pb2S5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -338.38129663
  • Final energy per atom: -4.699740230972222
  • 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.