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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233530

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-1233530
  • 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: 43
  • Number of elements: 5
  • Element list: ['Sm', 'Mg', 'Mo', 'I', 'O']
  • Chemical System: I-Mg-Mo-O-Sm
  • Density: 4.959720913994724
  • Atomic Density: 0.06382960013049584
  • Unit Cell Volume: 673.6686413840764
  • Molar Volume: 9.434714846541558
  • Full Formula: Sm2 Mg1 Mo2 I8 O30
  • Reduced Formula: Sm2MgMo2(I4O15)2
  • Formula Anonymous: AB2C2D8E30
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -257.66272542
  • Final energy per atom: -5.99215640511628
  • 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.