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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195368

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-1195368
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 5
  • Element list: ['Si', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Si
  • Density: 1.1591917518135806
  • Atomic Density: 0.09137554162305478
  • Unit Cell Volume: 1181.935538565943
  • Molar Volume: 6.59053905786159
  • Full Formula: Si4 H56 C24 N8 O16
  • Reduced Formula: SiH14C6(NO2)2
  • Formula Anonymous: AB2C4D6E14
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -640.90974512
  • Final energy per atom: -5.934349491851852
  • 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.