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  1. Third-Parties
  2. MatprojStructure
  3. mp-6044

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-6044
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Sr', 'B', 'P', 'O']
  • Chemical System: B-O-P-Sr
  • Density: 3.566866270334746
  • Atomic Density: 0.06796260124029026
  • Unit Cell Volume: 941.6943853240699
  • Molar Volume: 8.860962720817543
  • Full Formula: Sr12 B2 P10 O40
  • Reduced Formula: Sr6B(PO4)5
  • Formula Anonymous: AB5C6D20
  • Spacegroup Number: 120
  • Spacegroup Symbol: I-4c2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -493.7037961
  • Final energy per atom: -7.7141218140625
  • 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.