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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197807

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-1197807
  • 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: 94
  • Number of elements: 4
  • Element list: ['Nd', 'Mo', 'Pt', 'O']
  • Chemical System: Mo-Nd-O-Pt
  • Density: 3.422245004470818
  • Atomic Density: 0.058099983945686044
  • Unit Cell Volume: 1617.9006191787348
  • Molar Volume: 10.365133259984571
  • Full Formula: Nd4 Mo12 Pt2 O76
  • Reduced Formula: Nd2Mo6PtO38
  • Formula Anonymous: AB2C6D38
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -596.6175287799999
  • Final energy per atom: -6.346994987021276
  • 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.