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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197149

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-1197149
  • 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: 42
  • Number of elements: 4
  • Element list: ['Re', 'Si', 'P', 'O']
  • Chemical System: O-P-Re-Si
  • Density: 3.2996944463678877
  • Atomic Density: 0.07253654774653713
  • Unit Cell Volume: 579.0184576575064
  • Molar Volume: 8.302215844408577
  • Full Formula: Re2 Si4 P6 O30
  • Reduced Formula: ReSi2(PO5)3
  • Formula Anonymous: AB2C3D15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -339.40423718
  • Final energy per atom: -8.081053266190477
  • 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.