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"structure_string": "Pr4 Sb4 O16\n1.0\n0.000000 7.770668 -0.016392\n5.599226 0.000000 0.000000\n0.000000 -1.402927 -7.609537\nPr Sb O\n4 4 16\ndirect\n0.099619 0.272580 0.848757 Pr\n0.400381 0.772580 0.151244 Pr\n0.900381 0.727421 0.151243 Pr\n0.599619 0.227421 0.848757 Pr\n0.301875 0.768651 0.663571 Sb\n0.198125 0.268651 0.336430 Sb\n0.698125 0.231349 0.336429 Sb\n0.801875 0.731350 0.663571 Sb\n0.701884 0.409115 0.562067 O\n0.798116 0.909115 0.437933 O\n0.369937 0.505316 0.829386 O\n0.130063 0.005316 0.170615 O\n0.630063 0.494685 0.170615 O\n0.869937 0.994685 0.829385 O\n0.555389 0.860005 0.667113 O\n0.827221 0.522392 0.880002 O\n0.444611 0.139995 0.332887 O\n0.055389 0.639995 0.667113 O\n0.201884 0.090886 0.562067 O\n0.672779 0.022392 0.119998 O\n0.172779 0.477608 0.119998 O\n0.327221 0.977609 0.880002 O\n0.944611 0.360005 0.332887 O\n0.298116 0.590886 0.437933 O\n",
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{
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.847664 -0.074079 0.056779\n0.122016 4.919009 0.130511\n-0.307913 -0.183435 14.179189\nLi Mn Co O\n7 2 3 12\ndirect\n0.001080 0.332649 0.653457 Li\n0.498773 0.149062 0.357007 Li\n0.000000 0.000000 0.000000 Li\n0.501228 0.850938 0.642993 Li\n-0.001078 0.667352 0.346543 Li\n0.500000 0.500000 0.000000 Li\n0.000001 0.000000 0.500000 Li\n-0.000649 0.672200 0.832486 Mn\n0.000651 0.327801 0.167514 Mn\n0.499353 0.170800 0.833672 Co\n0.500649 0.829201 0.166328 Co\n0.500001 0.500000 0.500000 Co\n0.501234 0.493370 0.237535 O\n0.498767 0.506631 0.762465 O\n-0.000607 0.346953 0.425356 O\n0.500081 0.165476 0.090851 O\n0.998729 0.004169 0.763032 O\n0.499691 0.806425 0.421708 O\n0.000073 0.661043 0.091995 O\n0.500311 0.193575 0.578292 O\n0.001271 -0.004169 0.236968 O\n0.499921 0.834525 0.909149 O\n0.000609 0.653048 0.574644 O\n-0.000071 0.338958 0.908005 O\n",
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"energy_above_hull": 2.3518129305555555,
"spacegroup": 15
},
{
"id": "jvasp-111704",
"created_at": "2022-09-04T14:38:38.028984Z",
"updated_at": "2022-09-04T14:38:38.029004Z",
"structure_string": "Dy16 In6 Co2\n1.0\n10.295974 0.000000 -0.000000\n-5.147988 8.916574 -0.000000\n-0.000000 -0.000000 6.934589\nDy In Co\n16 6 2\ndirect\n0.535135 0.070270 0.512099 Dy\n0.000000 0.000000 0.001420 Dy\n0.000000 0.000000 0.501420 Dy\n0.333333 0.666667 0.403347 Dy\n0.666667 0.333333 0.903347 Dy\n0.355847 0.177924 0.220342 Dy\n0.822076 0.644152 0.220342 Dy\n0.177923 0.822076 0.720342 Dy\n0.822076 0.177924 0.220342 Dy\n0.177923 0.355847 0.720342 Dy\n0.464864 0.535135 0.012099 Dy\n0.070269 0.535135 0.012099 Dy\n0.464864 0.929730 0.012099 Dy\n0.535135 0.464865 0.512099 Dy\n0.929730 0.464865 0.512099 Dy\n0.644152 0.822076 0.720342 Dy\n0.836901 0.673803 0.759893 In\n0.326197 0.163098 0.759893 In\n0.836901 0.163098 0.759893 In\n0.163098 0.326197 0.259893 In\n0.673803 0.836901 0.259893 In\n0.163098 0.836901 0.259893 In\n0.666667 0.333333 0.290330 Co\n0.333333 0.666667 0.790330 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Dy",
"In",
"Co"
],
"chemical_system": "Co-Dy-In",
"density": 8.885999603943175,
"density_atomic": 0.03769858591199019,
"volume": 636.628653818198,
"volume_molar": 15.974447354760418,
"formula_full": "Dy16 In6 Co2",
"formula_reduced": "Dy8In3Co",
"formula_anonymous": "AB3C8",
"energy_above_hull": 1.2994119008333334,
"spacegroup": 186
}
]
}