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  1. Third-Parties
  2. MatprojStructure
  3. mp-21781

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-21781
  • 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: 56
  • Number of elements: 3
  • Element list: ['Sr', 'In', 'S']
  • Chemical System: In-S-Sr
  • Density: 3.9312361442845316
  • Atomic Density: 0.03719758706960862
  • Unit Cell Volume: 1505.4739947299815
  • Molar Volume: 16.189600547827585
  • Full Formula: Sr8 In16 S32
  • Reduced Formula: Sr(InS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -264.56739611
  • Final energy per atom: -4.724417787678571
  • 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.