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  1. Third-Parties
  2. MatprojStructure
  3. mp-8614

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-8614
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['K', 'Nd', 'Si', 'O']
  • Chemical System: K-Nd-O-Si
  • Density: 3.247051778451326
  • Atomic Density: 0.059158121591877506
  • Unit Cell Volume: 1318.500281974969
  • Molar Volume: 10.179736269426865
  • Full Formula: K18 Nd6 Si12 O42
  • Reduced Formula: K3NdSi2O7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -558.6325004500001
  • Final energy per atom: -7.1619551339743595
  • 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.