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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199776

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-1199776
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 336
  • Number of elements: 5
  • Element list: ['Sn', 'H', 'C', 'I', 'N']
  • Chemical System: C-H-I-N-Sn
  • Density: 1.8491950967028736
  • Atomic Density: 0.07384692878807265
  • Unit Cell Volume: 4549.952252777624
  • Molar Volume: 8.154896701638677
  • Full Formula: Sn24 H224 C72 I8 N8
  • Reduced Formula: Sn3H28C9IN
  • Formula Anonymous: ABC3D9E28
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -1644.6256365800002
  • Final energy per atom: -4.894719156488096
  • 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.