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  1. Third-Parties
  2. MatprojStructure
  3. mp-699041

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-699041
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Ca', 'Nd', 'Mn', 'Cr', 'O']
  • Chemical System: Ca-Cr-Mn-Nd-O
  • Density: 5.624552413003081
  • Atomic Density: 0.08693914224174862
  • Unit Cell Volume: 1150.22988979962
  • Molar Volume: 6.9268463027326
  • Full Formula: Ca10 Nd10 Mn18 Cr2 O60
  • Reduced Formula: Ca5Nd5Mn9CrO30
  • Formula Anonymous: AB5C5D9E30
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -825.2486058199999
  • Final energy per atom: -8.252486058199999
  • 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.