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  1. Third-Parties
  2. MatprojStructure
  3. mp-643902

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-643902
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Sn', 'H', 'N', 'F']
  • Chemical System: F-H-N-Sn
  • Density: 3.563827669505965
  • Atomic Density: 0.10233368720977734
  • Unit Cell Volume: 87.94757860674551
  • Molar Volume: 5.884807754122068
  • Full Formula: Sn1 H4 N2 F2
  • Reduced Formula: SnH4(NF)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -48.49106152
  • Final energy per atom: -5.387895724444444
  • 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.