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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103648

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-1103648
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Hg', 'C', 'F']
  • Chemical System: C-F-Hg
  • Density: 3.526452002669442
  • Atomic Density: 0.06442077657744781
  • Unit Cell Volume: 170.7523656871103
  • Molar Volume: 9.348134375188842
  • Full Formula: Hg1 C4 F6
  • Reduced Formula: Hg(C2F3)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -59.92488681
  • Final energy per atom: -5.447716982727273
  • 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.