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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202452

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-1202452
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 6
  • Element list: ['Sn', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-O-S-Sn
  • Density: 1.6114643246445282
  • Atomic Density: 0.0741905074772967
  • Unit Cell Volume: 1347.8813314574152
  • Molar Volume: 8.117131105812769
  • Full Formula: Sn4 H48 C24 S8 N8 O8
  • Reduced Formula: SnH12C6S2(NO)2
  • Formula Anonymous: AB2C2D2E6F12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -580.81983603
  • Final energy per atom: -5.8081983603000005
  • 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.