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  1. Third-Parties
  2. MatprojStructure
  3. mp-1516265

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-1516265
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Cu', 'Bi', 'O']
  • Chemical System: Bi-Ca-Cu-O-Sr
  • Density: 6.168982402818629
  • Atomic Density: 0.07486683425720005
  • Unit Cell Volume: 133.57049351980962
  • Molar Volume: 8.043803133589615
  • Full Formula: Sr1 Ca1 Cu1 Bi1 O6
  • Reduced Formula: SrCaCuBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -60.41255256
  • Final energy per atom: -6.041255256
  • 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.