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  1. Third-Parties
  2. MatprojStructure
  3. mp-680168

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-680168
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['K', 'Re', 'C', 'Se', 'N']
  • Chemical System: C-K-N-Re-Se
  • Density: 5.327040177861927
  • Atomic Density: 0.041445264288516005
  • Unit Cell Volume: 1351.1797056031064
  • Molar Volume: 14.530347105709406
  • Full Formula: K8 Re12 C8 Se20 N8
  • Reduced Formula: K2Re3C2Se5N2
  • Formula Anonymous: A2B2C2D3E5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -407.1859334
  • Final energy per atom: -7.271177382142858
  • 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.