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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209202

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-1209202
  • 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: 84
  • Number of elements: 4
  • Element list: ['Sc', 'B', 'P', 'O']
  • Chemical System: B-O-P-Sc
  • Density: 2.1758843412368423
  • Atomic Density: 0.06605803829060126
  • Unit Cell Volume: 1271.6090603609632
  • Molar Volume: 9.116438991886973
  • Full Formula: Sc6 B6 P12 O60
  • Reduced Formula: ScB(PO5)2
  • Formula Anonymous: ABC2D10
  • Spacegroup Number: 178
  • Spacegroup Symbol: P6_122
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -633.6802867600001
  • Final energy per atom: -7.543812937619048
  • 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.