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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218783

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-1218783
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Sr', 'Ga', 'B', 'H', 'O']
  • Chemical System: B-Ga-H-O-Sr
  • Density: 4.049309690354785
  • Atomic Density: 0.0823531592316515
  • Unit Cell Volume: 607.1412495464177
  • Molar Volume: 7.312580131941627
  • Full Formula: Sr6 Ga6 B8 H2 O28
  • Reduced Formula: Sr3Ga3B4HO14
  • Formula Anonymous: AB3C3D4E14
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -366.70277422
  • Final energy per atom: -7.334055484399999
  • 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.