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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194439

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-1194439
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Sn', 'C', 'I', 'N']
  • Chemical System: C-I-N-Sn
  • Density: 4.103146434877181
  • Atomic Density: 0.03206393107418958
  • Unit Cell Volume: 873.2553701919314
  • Molar Volume: 18.781666995434712
  • Full Formula: Sn4 C4 I12 N8
  • Reduced Formula: SnCI3N2
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -132.74154716
  • Final energy per atom: -4.7407695414285715
  • 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.