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  1. Third-Parties
  2. MatprojStructure
  3. mp-686599

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-686599
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 134
  • Number of elements: 5
  • Element list: ['Sr', 'Nd', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Nd-O-Se-Sr
  • Density: 4.046451405366181
  • Atomic Density: 0.04892408282714741
  • Unit Cell Volume: 2738.9373955855735
  • Molar Volume: 12.309154126152333
  • Full Formula: Sr2 Nd20 Se24 Cl16 O72
  • Reduced Formula: SrNd10Se12(Cl2O9)4
  • Formula Anonymous: AB8C10D12E36
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -781.4028806
  • Final energy per atom: -5.831364780597015
  • 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.