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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218633

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-1218633
  • 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: 15
  • Number of elements: 4
  • Element list: ['Sr', 'Nb', 'Cu', 'O']
  • Chemical System: Cu-Nb-O-Sr
  • Density: 5.364781831733158
  • Atomic Density: 0.07384977200529523
  • Unit Cell Volume: 203.11504819438656
  • Molar Volume: 8.154582738005198
  • Full Formula: Sr3 Nb2 Cu1 O9
  • Reduced Formula: Sr3Nb2CuO9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -118.04828153
  • Final energy per atom: -7.869885435333333
  • 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.