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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189122

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-1189122
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['K', 'Yb', 'N']
  • Chemical System: K-N-Yb
  • Density: 2.564710424000536
  • Atomic Density: 0.04125554073256472
  • Unit Cell Volume: 484.7833683637351
  • Molar Volume: 14.597168411966722
  • Full Formula: K6 Yb2 N12
  • Reduced Formula: K3YbN6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -80.17351036999999
  • Final energy per atom: -4.0086755185
  • 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.