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  1. Third-Parties
  2. MatprojStructure
  3. mp-777931

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-777931
  • 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: 152
  • Number of elements: 4
  • Element list: ['Li', 'Sn', 'S', 'O']
  • Chemical System: Li-O-S-Sn
  • Density: 3.1225301074228615
  • Atomic Density: 0.0662259047296165
  • Unit Cell Volume: 2295.1743826011484
  • Molar Volume: 9.093331053138296
  • Full Formula: Li16 Sn16 S24 O96
  • Reduced Formula: Li2Sn2(SO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -970.00585298
  • Final energy per atom: -6.38161745381579
  • 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.