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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209382

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-1209382
  • 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: 62
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'Cu', 'Bi', 'I', 'O']
  • Chemical System: Bi-Ca-Cu-I-O-Sr
  • Density: 6.25725632749155
  • Atomic Density: 0.06136383960146991
  • Unit Cell Volume: 1010.3670240105844
  • Molar Volume: 9.813826512667804
  • Full Formula: Sr8 Ca4 Cu8 Bi8 I2 O32
  • Reduced Formula: Sr4Ca2Cu4Bi4IO16
  • Formula Anonymous: AB2C4D4E4F16
  • Spacegroup Number: 66
  • Spacegroup Symbol: Cccm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -371.40502161
  • Final energy per atom: -5.990403574354839
  • 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.