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  1. Third-Parties
  2. MatprojStructure
  3. mp-1185964

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-1185964
  • 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: 4
  • Number of elements: 3
  • Element list: ['Mg', 'Sc', 'Hg']
  • Chemical System: Hg-Mg-Sc
  • Density: 5.893776825272591
  • Atomic Density: 0.045098328188823686
  • Unit Cell Volume: 88.69508384550903
  • Molar Volume: 13.353356990941437
  • Full Formula: Mg1 Sc2 Hg1
  • Reduced Formula: MgSc2Hg
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -15.53139821
  • Final energy per atom: -3.8828495525
  • 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.