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  1. Third-Parties
  2. MatprojStructure
  3. mp-571484

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-571484
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Ca', 'Hg']
  • Chemical System: Ca-Hg
  • Density: 4.015671310250916
  • Atomic Density: 0.030151033444607324
  • Unit Cell Volume: 132.6654360736488
  • Molar Volume: 19.973248250557372
  • Full Formula: Ca3 Hg1
  • Reduced Formula: Ca3Hg
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -7.11091738
  • Final energy per atom: -1.777729345
  • 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.