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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228670

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-1228670
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 138
  • Number of elements: 3
  • Element list: ['K', 'Nb', 'As']
  • Chemical System: As-K-Nb
  • Density: 2.783891635664108
  • Atomic Density: 0.029403298669587616
  • Unit Cell Volume: 4693.350958705051
  • Molar Volume: 20.481173992320844
  • Full Formula: K76 Nb14 As48
  • Reduced Formula: K38Nb7As24
  • Formula Anonymous: A7B24C38
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -515.27179512
  • Final energy per atom: -3.733853587826087
  • 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.