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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218674

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-1218674
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Sr', 'Pr', 'Cu', 'Hg', 'O']
  • Chemical System: Cu-Hg-O-Pr-Sr
  • Density: 6.209424217930659
  • Atomic Density: 0.06359843366706544
  • Unit Cell Volume: 754.7355686663221
  • Molar Volume: 9.469007981431744
  • Full Formula: Sr8 Pr4 Cu9 Hg3 O24
  • Reduced Formula: Sr8Pr4Cu9(HgO8)3
  • Formula Anonymous: A3B4C8D9E24
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -292.90148961
  • Final energy per atom: -6.102114366875
  • 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.