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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226454

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-1226454
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 6
  • Element list: ['Co', 'Si', 'H', 'N', 'O', 'F']
  • Chemical System: Co-F-H-N-O-Si
  • Density: 1.9494463052955284
  • Atomic Density: 0.10956380589618948
  • Unit Cell Volume: 565.8803059355598
  • Molar Volume: 5.49646912202549
  • Full Formula: Co2 Si2 H30 N12 O4 F12
  • Reduced Formula: CoSiH15N6(OF3)2
  • Formula Anonymous: ABC2D6E6F15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -346.51803778
  • Final energy per atom: -5.589000609354838
  • 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.