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  1. Third-Parties
  2. MatprojStructure
  3. mp-862670

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-862670
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Sr', 'Co', 'C', 'N']
  • Chemical System: C-Co-N-Sr
  • Density: 3.7151017582157464
  • Atomic Density: 0.0559537911732866
  • Unit Cell Volume: 357.4377996668862
  • Molar Volume: 10.762703712693352
  • Full Formula: Sr6 Co2 C6 N6
  • Reduced Formula: Sr3Co(CN)3
  • Formula Anonymous: AB3C3D3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -144.11970573
  • Final energy per atom: -7.2059852865
  • 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.