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  1. Third-Parties
  2. MatprojStructure
  3. mp-559608

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-559608
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['K', 'Nd', 'Si', 'O']
  • Chemical System: K-Nd-O-Si
  • Density: 2.871305737128273
  • Atomic Density: 0.06631183322515258
  • Unit Cell Volume: 1688.9896501536857
  • Molar Volume: 9.081547692329153
  • Full Formula: K12 Nd4 Si28 O68
  • Reduced Formula: K3NdSi7O17
  • Formula Anonymous: AB3C7D17
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -877.51106863
  • Final energy per atom: -7.834920255625
  • 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.