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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218932

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-1218932
  • 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: 34
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Cu', 'Bi', 'O']
  • Chemical System: Bi-Ca-Cu-O-Sr
  • Density: 6.837631177881485
  • Atomic Density: 0.076058103955165
  • Unit Cell Volume: 447.0266576726977
  • Molar Volume: 7.917816046992116
  • Full Formula: Sr4 Ca2 Cu4 Bi4 O20
  • Reduced Formula: Sr2CaCu2(BiO5)2
  • Formula Anonymous: AB2C2D2E10
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -202.60662028
  • Final energy per atom: -5.959018243529411
  • 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.