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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197580

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-1197580
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['Li', 'Ca', 'Hg']
  • Chemical System: Ca-Hg-Li
  • Density: 4.365574053256621
  • Atomic Density: 0.03327489760208762
  • Unit Cell Volume: 1923.3718091437413
  • Molar Volume: 18.09814963824916
  • Full Formula: Li12 Ca34 Hg18
  • Reduced Formula: Li6Ca17Hg9
  • Formula Anonymous: A6B9C17
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -119.45839275
  • Final energy per atom: -1.86653738671875
  • 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.