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  1. Third-Parties
  2. MatprojStructure
  3. mp-36508

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-36508
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Sn', 'Hg', 'F']
  • Chemical System: F-Hg-Sn
  • Density: 5.1469623173714565
  • Atomic Density: 0.05722855655025417
  • Unit Cell Volume: 139.79035087098435
  • Molar Volume: 10.522964622935705
  • Full Formula: Sn1 Hg1 F6
  • Reduced Formula: SnHgF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -35.06407996
  • Final energy per atom: -4.383009995
  • 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.