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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227223

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-1227223
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Ca', 'Mn', 'V', 'Cu', 'O']
  • Chemical System: Ca-Cu-Mn-O-V
  • Density: 4.99583230925756
  • Atomic Density: 0.09738540151026172
  • Unit Cell Volume: 205.3695902038516
  • Molar Volume: 6.183822900155558
  • Full Formula: Ca1 Mn1 V4 Cu2 O12
  • Reduced Formula: CaMnV4(CuO6)2
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -159.57457277
  • Final energy per atom: -7.9787286385
  • 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.