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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218510

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-1218510
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 4
  • Element list: ['Sr', 'Zr', 'Nb', 'O']
  • Chemical System: Nb-O-Sr-Zr
  • Density: 4.9166553939434845
  • Atomic Density: 0.06834622264739369
  • Unit Cell Volume: 277.99634367539613
  • Molar Volume: 8.811226907255639
  • Full Formula: Sr3 Zr2 Nb2 O12
  • Reduced Formula: Sr3Zr2Nb2O12
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -166.58706502
  • Final energy per atom: -8.767740264210527
  • 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.