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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227848

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-1227848
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 106
  • Number of elements: 5
  • Element list: ['Cr', 'H', 'C', 'N', 'O']
  • Chemical System: C-Cr-H-N-O
  • Density: 1.3952575276515022
  • Atomic Density: 0.099324568758464
  • Unit Cell Volume: 1067.2082579866942
  • Molar Volume: 6.063092782858742
  • Full Formula: Cr4 H56 C20 N12 O14
  • Reduced Formula: Cr2H28C10N6O7
  • Formula Anonymous: A2B6C7D10E28
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -628.7503904800001
  • Final energy per atom: -5.931607457358491
  • 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.