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  1. Third-Parties
  2. MatprojStructure
  3. mp-6453

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-6453
  • 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: 100
  • Number of elements: 4
  • Element list: ['K', 'Nd', 'Si', 'O']
  • Chemical System: K-Nd-O-Si
  • Density: 2.5352548871699274
  • Atomic Density: 0.05696540986636563
  • Unit Cell Volume: 1755.451250760569
  • Molar Volume: 10.571574529398202
  • Full Formula: K12 Nd4 Si24 O60
  • Reduced Formula: K3Nd(Si2O5)3
  • Formula Anonymous: AB3C6D15
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -776.52630133
  • Final energy per atom: -7.7652630133
  • 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.