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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227263

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-1227263
  • 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: 20
  • Number of elements: 5
  • Element list: ['Ca', 'Mn', 'Cu', 'Ru', 'O']
  • Chemical System: Ca-Cu-Mn-O-Ru
  • Density: 5.509238765443714
  • Atomic Density: 0.09636291530471792
  • Unit Cell Volume: 207.54872283342803
  • Molar Volume: 6.249438117305648
  • Full Formula: Ca1 Mn3 Cu3 Ru1 O12
  • Reduced Formula: CaMn3Cu3RuO12
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -143.95984323
  • Final energy per atom: -7.197992161499999
  • 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.