Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-722866

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-722866
  • 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: 60
  • Number of elements: 5
  • Element list: ['Sb', 'H', 'C', 'N', 'F']
  • Chemical System: C-F-H-N-Sb
  • Density: 2.4931163740269775
  • Atomic Density: 0.08734696235936583
  • Unit Cell Volume: 686.9157023817951
  • Molar Volume: 6.8945050833290615
  • Full Formula: Sb4 H24 C4 N12 F16
  • Reduced Formula: SbH6CN3F4
  • Formula Anonymous: ABC3D4E6
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -341.02345897
  • Final energy per atom: -5.683724316166666
  • 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.