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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205275

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-1205275
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Si', 'C', 'N', 'O']
  • Chemical System: C-N-O-Si
  • Density: 1.7022622188782623
  • Atomic Density: 0.06516303633461261
  • Unit Cell Volume: 1289.0743698415074
  • Molar Volume: 9.241651553921258
  • Full Formula: Si12 C40 N4 O28
  • Reduced Formula: Si3C10NO7
  • Formula Anonymous: AB3C7D10
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -666.1427769
  • Final energy per atom: -7.930271153571428
  • 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.