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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198080

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-1198080
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 5
  • Element list: ['Sr', 'V', 'H', 'O', 'F']
  • Chemical System: F-H-O-Sr-V
  • Density: 3.604570726392621
  • Atomic Density: 0.07838566194272084
  • Unit Cell Volume: 1837.0706635765334
  • Molar Volume: 7.682707029253118
  • Full Formula: Sr20 V12 H24 O24 F64
  • Reduced Formula: Sr5V3H6(O3F8)2
  • Formula Anonymous: A3B5C6D6E16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -902.46358089
  • Final energy per atom: -6.267108200625
  • 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.