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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200391

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-1200391
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'B', 'O']
  • Chemical System: B-K-Nb-O
  • Density: 2.9465551994259567
  • Atomic Density: 0.07108545481525637
  • Unit Cell Volume: 2250.8120742256374
  • Molar Volume: 8.471691959558974
  • Full Formula: K16 Nb16 B32 O96
  • Reduced Formula: KNb(BO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1330.07531834
  • Final energy per atom: -8.312970739625
  • 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.