Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1212375

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-1212375
  • 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: 20
  • Number of elements: 4
  • Element list: ['Gd', 'Ga', 'B', 'O']
  • Chemical System: B-Ga-Gd-O
  • Density: 4.994701335934631
  • Atomic Density: 0.09998671835143279
  • Unit Cell Volume: 200.02656682564685
  • Molar Volume: 6.022940705817958
  • Full Formula: Gd1 Ga3 B4 O12
  • Reduced Formula: GdGa3(BO3)4
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -164.79827509
  • Final energy per atom: -8.2399137545
  • 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.