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  1. Third-Parties
  2. MatprojStructure
  3. mp-532540

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-532540
  • 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: 90
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'V', 'Bi', 'O']
  • Chemical System: Bi-Ca-O-Sr-V
  • Density: 3.6280792101645747
  • Atomic Density: 0.06481691401603348
  • Unit Cell Volume: 1388.5264574264843
  • Molar Volume: 9.29100197289604
  • Full Formula: Sr6 Ca12 V14 Bi2 O56
  • Reduced Formula: Sr3Ca6V7BiO28
  • Formula Anonymous: AB3C6D7E28
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -708.8103165
  • Final energy per atom: -7.875670183333333
  • 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.