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  1. Third-Parties
  2. MatprojStructure
  3. mp-695475

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-695475
  • 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: 104
  • Number of elements: 5
  • Element list: ['Ca', 'Y', 'Ga', 'B', 'O']
  • Chemical System: B-Ca-Ga-O-Y
  • Density: 3.9700691905178194
  • Atomic Density: 0.08860689221536101
  • Unit Cell Volume: 1173.7235941784945
  • Molar Volume: 6.796469901419242
  • Full Formula: Ca12 Y4 Ga12 B16 O60
  • Reduced Formula: Ca3YGa3B4O15
  • Formula Anonymous: AB3C3D4E15
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -801.3097449200001
  • Final energy per atom: -7.704901393461539
  • 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.