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  1. Third-Parties
  2. MatprojStructure
  3. mp-1106307

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-1106307
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Mn', 'V', 'O']
  • Chemical System: Ca-Mn-O-V
  • Density: 4.66534266412036
  • Atomic Density: 0.09354967615816785
  • Unit Cell Volume: 213.79015750076218
  • Molar Volume: 6.4373721078607975
  • Full Formula: Ca1 Mn3 V4 O12
  • Reduced Formula: CaMn3V4O12
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -173.68413636
  • Final energy per atom: -8.684206818
  • 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.