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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219526

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-1219526
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Sb', 'H', 'N', 'F']
  • Chemical System: F-H-N-Sb
  • Density: 2.505889507471231
  • Atomic Density: 0.09550058367188723
  • Unit Cell Volume: 335.07648612853376
  • Molar Volume: 6.305868015100681
  • Full Formula: Sb2 H16 N4 F10
  • Reduced Formula: SbH8N2F5
  • Formula Anonymous: AB2C5D8
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -161.62258185
  • Final energy per atom: -5.0507056828125
  • 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.