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  1. Third-Parties
  2. MatprojStructure
  3. mp-1020670

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-1020670
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 3
  • Element list: ['Sr', 'B', 'O']
  • Chemical System: B-O-Sr
  • Density: 3.258865232909408
  • Atomic Density: 0.09697123273872124
  • Unit Cell Volume: 1113.7323611322402
  • Molar Volume: 6.210234303431021
  • Full Formula: Sr9 B36 O63
  • Reduced Formula: SrB4O7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -893.0137688699999
  • Final energy per atom: -8.268646008055555
  • 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.