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{
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{
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{
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{
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"updated_at": "2021-11-28T01:37:26.841000Z",
"spacegroup": 64
},
{
"id": "mp-26201",
"created_at": "2022-09-04T14:46:21.499790Z",
"structure_string": "Li6 Co6 P8 O32\n1.0\n4.939616 0.000000 0.000000\n0.000000 8.072630 0.000000\n0.000000 5.545974 14.197097\nLi Co P O\n6 6 8 32\ndirect\n0.484482 0.701061 0.122169 Li\n0.015518 0.701061 0.622169 Li\n0.500000 0.000000 0.500000 Li\n0.515518 0.298939 0.877831 Li\n0.984482 0.298939 0.377831 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Co\n0.568383 0.817230 0.704915 Co\n0.931617 0.817230 0.204915 Co\n0.068383 0.182770 0.795085 Co\n0.431617 0.182770 0.295085 Co\n0.500000 0.500000 0.000000 Co\n0.510467 0.526749 0.355551 P\n0.980360 0.914632 0.393458 P\n0.480360 0.085368 0.106542 P\n0.519640 0.914632 0.893458 P\n0.489533 0.473251 0.644449 P\n0.019640 0.085368 0.606542 P\n0.989533 0.526749 0.855551 P\n0.010467 0.473251 0.144449 P\n0.190968 0.017389 0.107319 O\n0.180619 0.438655 0.069623 O\n0.318722 0.061507 0.899258 O\n0.319381 0.438655 0.569623 O\n0.450264 0.747931 0.980646 O\n0.690968 0.982611 0.392681 O\n0.950264 0.252069 0.519354 O\n0.542792 0.115245 0.199778 O\n0.809032 0.982611 0.892681 O\n0.457208 0.884755 0.800222 O\n0.796058 0.480623 0.620746 O\n0.181278 0.061507 0.399258 O\n0.582430 0.671476 0.258404 O\n0.203942 0.519377 0.379254 O\n0.549736 0.252069 0.019354 O\n0.084990 0.660503 0.150620 O\n0.584990 0.339497 0.349380 O\n0.915010 0.339497 0.849380 O\n0.296058 0.519377 0.879254 O\n0.082430 0.328524 0.241596 O\n0.417570 0.328524 0.741596 O\n0.819381 0.561345 0.930377 O\n0.415010 0.660503 0.650620 O\n0.309032 0.017389 0.607319 O\n0.042792 0.884755 0.300222 O\n0.049736 0.747931 0.480646 O\n0.917570 0.671476 0.758404 O\n0.703942 0.480623 0.120746 O\n0.681278 0.938493 0.100742 O\n0.818722 0.938493 0.600742 O\n0.957208 0.115245 0.699778 O\n0.680619 0.561345 0.430377 O\n",
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],
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"density_atomic": 0.09185346794050829,
"volume": 566.1190716683598,
"volume_molar": 6.556247570206519,
"formula_full": "Li6 Co6 P8 O32",
"formula_reduced": "Li3Co3(PO4)4",
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"formation_energy": null,
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"updated_at": "2021-11-28T01:37:22.168000Z",
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},
{
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"structure_string": "Sm2 Fe2 Si2 C1\n1.0\n1.988811 5.355727 0.000000\n-1.988811 5.355727 0.000000\n0.000000 4.346132 5.341921\nSm Fe Si C\n2 2 2 1\ndirect\n0.440462 0.440462 0.297378 Sm\n0.559538 0.559538 0.702622 Sm\n0.801901 0.801901 0.091111 Fe\n0.198099 0.198099 0.908889 Fe\n0.830368 0.830368 0.729725 Si\n0.169632 0.169632 0.270275 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
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],
"chemical_system": "C-Fe-Si-Sm",
"density": 7.0127113300261765,
"density_atomic": 0.06151182870465955,
"volume": 113.7992504435126,
"volume_molar": 9.790215779333218,
"formula_full": "Sm2 Fe2 Si2 C1",
"formula_reduced": "Sm2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
"energy": -50.78876511,
"energy_per_atom": -7.2555378728571425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.93076511,
"band_gap": 0.0,
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"total_magnetization": 2.35e-05,
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"updated_at": "2021-11-28T01:37:28.472000Z",
"spacegroup": 12
}
]
}