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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233122

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-1233122
  • 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: 22
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Ti', 'N', 'O']
  • Chemical System: Ca-N-O-Sr-Ti
  • Density: 3.90424255761995
  • Atomic Density: 0.07321190951687737
  • Unit Cell Volume: 300.4975576402415
  • Molar Volume: 8.225629955207944
  • Full Formula: Sr2 Ca1 Ti6 N2 O11
  • Reduced Formula: Sr2CaTi6N2O11
  • Formula Anonymous: AB2C2D6E11
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -190.86667314
  • Final energy per atom: -8.67575787
  • 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.