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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226951

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-1226951
  • 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: 120
  • Number of elements: 6
  • Element list: ['K', 'Re', 'Te', 'C', 'S', 'N']
  • Chemical System: C-K-N-Re-S-Te
  • Density: 4.3648774777581965
  • Atomic Density: 0.044257469262109356
  • Unit Cell Volume: 2711.406729772887
  • Molar Volume: 13.607060820253007
  • Full Formula: K16 Re24 Te4 C24 S28 N24
  • Reduced Formula: K4Re6TeC6S7N6
  • Formula Anonymous: AB4C6D6E6F7
  • Spacegroup Number: 199
  • Spacegroup Symbol: I2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -940.58839373
  • Final energy per atom: -7.838236614416667
  • 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.