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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209837

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-1209837
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 122
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Mo', 'N', 'O']
  • Chemical System: Ca-Mo-N-O-Sr
  • Density: 3.5843888735517075
  • Atomic Density: 0.06387670392656805
  • Unit Cell Volume: 1909.9294813372
  • Molar Volume: 9.427757523185583
  • Full Formula: Sr2 Ca49 Mo12 N56 O3
  • Reduced Formula: Sr2Ca49Mo12N56O3
  • Formula Anonymous: A2B3C12D49E56
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -847.1442183300001
  • Final energy per atom: -6.943805068278689
  • 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.