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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211765

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-1211765
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['K', 'Sm', 'Nb', 'O']
  • Chemical System: K-Nb-O-Sm
  • Density: 4.792999042905139
  • Atomic Density: 0.07114877595152197
  • Unit Cell Volume: 646.5325563906064
  • Molar Volume: 8.464152305449716
  • Full Formula: K4 Sm2 Nb10 O30
  • Reduced Formula: K2SmNb5O15
  • Formula Anonymous: AB2C5D15
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -404.93915249
  • Final energy per atom: -8.803025054130435
  • 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.