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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209124

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-1209124
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'Cu', 'Bi', 'I', 'O']
  • Chemical System: Bi-Ca-Cu-I-O-Sr
  • Density: 6.168902819730907
  • Atomic Density: 0.05854597721613027
  • Unit Cell Volume: 546.5789712906787
  • Molar Volume: 10.286173442401457
  • Full Formula: Sr4 Ca2 Cu4 Bi4 I2 O16
  • Reduced Formula: Sr2CaCu2Bi2IO8
  • Formula Anonymous: ABC2D2E2F8
  • Spacegroup Number: 53
  • Spacegroup Symbol: Pmna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -187.67812723
  • Final energy per atom: -5.8649414759375
  • 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.