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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227341

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-1227341
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Ca', 'Sc', 'P', 'Pt']
  • Chemical System: Ca-P-Pt-Sc
  • Density: 11.550757895394833
  • Atomic Density: 0.05710227739779463
  • Unit Cell Volume: 227.66167292133392
  • Molar Volume: 10.546235692225794
  • Full Formula: Ca2 Sc1 P3 Pt7
  • Reduced Formula: Ca2ScP3Pt7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -82.60709429
  • Final energy per atom: -6.354391868461539
  • 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.