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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224638

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-1224638
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'In', 'As']
  • Chemical System: As-In-K-Nb
  • Density: 2.893533995818605
  • Atomic Density: 0.029922131005944895
  • Unit Cell Volume: 1203.1228655755688
  • Molar Volume: 20.12604235575176
  • Full Formula: K20 Nb2 In2 As12
  • Reduced Formula: K10NbInAs6
  • Formula Anonymous: ABC6D10
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -120.43429483
  • Final energy per atom: -3.345397078611111
  • 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.