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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227033

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-1227033
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Sn', 'Hg']
  • Chemical System: Ca-Hg-Sn
  • Density: 7.26688461899341
  • Atomic Density: 0.03653162025280949
  • Unit Cell Volume: 82.12063903104004
  • Molar Volume: 16.484734918202438
  • Full Formula: Ca1 Sn1 Hg1
  • Reduced Formula: CaSnHg
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -7.63279882
  • Final energy per atom: -2.544266273333333
  • 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.