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  1. Third-Parties
  2. MatprojStructure
  3. mp-709549

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-709549
  • 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: 120
  • Number of elements: 7
  • Element list: ['Sb', 'Te', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-H-N-O-Sb-Te
  • Density: 2.9989600507232623
  • Atomic Density: 0.06658314496021242
  • Unit Cell Volume: 1802.2579148477812
  • Molar Volume: 9.044542374197862
  • Full Formula: Sb2 Te12 H24 C8 N2 O12 F60
  • Reduced Formula: SbTe6H12C4N(OF5)6
  • Formula Anonymous: ABC4D6E6F12G30
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -595.42555356
  • Final energy per atom: -4.961879613
  • 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.