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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221086

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-1221086
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 53
  • Number of elements: 8
  • Element list: ['Na', 'Mg', 'V', 'Cr', 'Si', 'B', 'H', 'O']
  • Chemical System: B-Cr-H-Mg-Na-O-Si-V
  • Density: 3.097790459890984
  • Atomic Density: 0.08950488239030431
  • Unit Cell Volume: 592.1464682661967
  • Molar Volume: 6.72828185365266
  • Full Formula: Na1 Mg3 V3 Cr3 Si6 B3 H3 O31
  • Reduced Formula: NaMg3V3Cr3Si6B3H3O31
  • Formula Anonymous: AB3C3D3E3F3G6H31
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -426.11160007
  • Final energy per atom: -8.039841510754718
  • 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.