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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224047

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-1224047
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['K', 'Nb', 'Se']
  • Chemical System: K-Nb-Se
  • Density: 5.0080320619119805
  • Atomic Density: 0.039937342361333734
  • Unit Cell Volume: 550.8628942044929
  • Molar Volume: 15.078972219820203
  • Full Formula: K4 Nb6 Se12
  • Reduced Formula: K2(NbSe2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -135.26695869
  • Final energy per atom: -6.148498122272727
  • 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.