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  1. Third-Parties
  2. MatprojStructure
  3. mp-699555

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-699555
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 6
  • Element list: ['Cr', 'C', 'S', 'N', 'O', 'F']
  • Chemical System: C-Cr-F-N-O-S
  • Density: 1.7765449273607998
  • Atomic Density: 0.061736427634191716
  • Unit Cell Volume: 1101.4566700056241
  • Molar Volume: 9.754598687962853
  • Full Formula: Cr4 C26 S2 N6 O20 F10
  • Reduced Formula: Cr2C13SN3(O2F)5
  • Formula Anonymous: AB2C3D5E10F13
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -509.76065678
  • Final energy per atom: -7.496480246764706
  • 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.