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  1. Third-Parties
  2. MatprojStructure
  3. mp-744126

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-744126
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Ti', 'Cr', 'O']
  • Chemical System: Ca-Cr-La-O-Ti
  • Density: 5.654996027471113
  • Atomic Density: 0.08218465815470144
  • Unit Cell Volume: 1216.772111064374
  • Molar Volume: 7.327572925672014
  • Full Formula: Ca6 La14 Ti10 Cr10 O60
  • Reduced Formula: Ca3La7Ti5Cr5O30
  • Formula Anonymous: A3B5C5D7E30
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -891.5197582300001
  • Final energy per atom: -8.915197582300001
  • 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.