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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218723

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-1218723
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Nd', 'Mn', 'O']
  • Chemical System: Ca-Mn-Nd-O-Sr
  • Density: 5.518103711176358
  • Atomic Density: 0.08637108042396208
  • Unit Cell Volume: 578.8974707109072
  • Molar Volume: 6.972404108458121
  • Full Formula: Sr6 Ca2 Nd2 Mn10 O30
  • Reduced Formula: Sr3CaNdMn5O15
  • Formula Anonymous: ABC3D5E15
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -392.69781246
  • Final energy per atom: -7.8539562492
  • 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.