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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218946

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-1218946
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Cu', 'B', 'O']
  • Chemical System: B-Ca-Cu-O-Sr
  • Density: 3.8011486092634508
  • Atomic Density: 0.07956241528508551
  • Unit Cell Volume: 829.5374111445826
  • Molar Volume: 7.5690773569676795
  • Full Formula: Sr4 Ca2 Cu12 B12 O36
  • Reduced Formula: Sr2CaCu6(BO3)6
  • Formula Anonymous: AB2C6D6E18
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -468.88763197
  • Final energy per atom: -7.104358060151514
  • 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.