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{
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{
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},
{
"id": "mp-570399",
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"structure_string": "Nd1 Cr2 Si2\n1.0\n-1.960426 1.960426 5.413804\n1.960426 -1.960426 5.413804\n1.960426 1.960426 -5.413804\nNd Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.380034 0.380034 0.000000 Si\n0.619966 0.619966 0.000000 Si\n",
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{
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"structure_string": "Ce3 Al1\n1.0\n4.692459 0.000000 0.000000\n0.000000 4.692459 0.000000\n0.000000 0.000000 4.692459\nCe Al\n3 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Al\n",
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{
"id": "mp-1178694",
"created_at": "2022-09-04T14:41:51.612006Z",
"structure_string": "Yb4 Cu4 Pb4 Se12\n1.0\n3.978109 0.000000 0.000000\n0.000000 10.914303 0.000000\n0.000000 0.000000 13.740125\nYb Cu Pb Se\n4 4 4 12\ndirect\n0.250000 0.505264 0.746707 Yb\n0.250000 0.005264 0.753293 Yb\n0.750000 0.494736 0.253293 Yb\n0.750000 0.994736 0.246707 Yb\n0.250000 0.744829 0.220476 Cu\n0.250000 0.244829 0.279524 Cu\n0.750000 0.255171 0.779524 Cu\n0.750000 0.755171 0.720476 Cu\n0.250000 0.762433 0.508979 Pb\n0.250000 0.262433 0.991021 Pb\n0.750000 0.237567 0.491021 Pb\n0.750000 0.737567 0.008979 Pb\n0.250000 0.253754 0.675867 Se\n0.250000 0.753754 0.824133 Se\n0.750000 0.746246 0.324133 Se\n0.750000 0.246246 0.175867 Se\n0.250000 0.414642 0.396072 Se\n0.250000 0.914642 0.103928 Se\n0.750000 0.585358 0.603928 Se\n0.750000 0.085358 0.896072 Se\n0.250000 0.067982 0.391241 Se\n0.250000 0.567982 0.108759 Se\n0.750000 0.932018 0.608759 Se\n0.750000 0.432018 0.891241 Se\n",
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"density_atomic": 0.04022979995458121,
"volume": 596.5726905700652,
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"formula_full": "Yb4 Cu4 Pb4 Se12",
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"updated_at": "2021-11-28T01:35:30.342000Z",
"spacegroup": 62
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{
"id": "mp-866212",
"created_at": "2022-09-04T14:41:51.612421Z",
"structure_string": "Yb2 Ag1 Sn1\n1.0\n0.000000 3.737116 3.737116\n3.737116 0.000000 3.737116\n3.737116 3.737116 0.000000\nYb Ag Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sn\n",
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"spacegroup": 225
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{
"id": "mp-1224064",
"created_at": "2022-09-04T14:41:51.620572Z",
"structure_string": "K1 V6 S8\n1.0\n0.000076 -0.000071 -3.261947\n-9.203924 -0.004677 0.000208\n-4.597910 7.964322 0.000283\nK V S\n1 6 8\ndirect\n0.500000 0.000000 0.000000 K\n0.748710 0.375279 0.509223 V\n0.748752 0.115607 0.375032 V\n0.748676 0.509289 0.115509 V\n0.251290 0.624721 0.490777 V\n0.251248 0.884393 0.624968 V\n0.251324 0.490711 0.884491 V\n0.750794 0.666658 0.666676 S\n0.249206 0.333342 0.333324 S\n0.753270 0.050486 0.653051 S\n0.753312 0.296636 0.050357 S\n0.753290 0.652846 0.296561 S\n0.246730 0.949514 0.346949 S\n0.246688 0.703364 0.949643 S\n0.246710 0.347154 0.703439 S\n",
"nsites": 15,
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"density": 4.174366352797137,
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"volume": 239.1806939633079,
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"formula_full": "K1 V6 S8",
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{
"id": "mp-1221860",
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"structure_string": "Mn4 Si2 Ni4 Ge2\n1.0\n3.609009 0.000000 0.000000\n0.000000 5.922757 0.000000\n0.000000 0.000000 6.997122\nMn Si Ni Ge\n4 2 4 2\ndirect\n0.500000 0.464736 0.078961 Mn\n0.500000 0.964736 0.921039 Mn\n0.000000 0.528226 0.427369 Mn\n0.000000 0.028226 0.572631 Mn\n0.500000 0.742440 0.621791 Si\n0.500000 0.242440 0.378209 Si\n0.500000 0.360682 0.682103 Ni\n0.500000 0.860682 0.317897 Ni\n0.000000 0.647955 0.801208 Ni\n0.000000 0.147955 0.198792 Ni\n0.000000 0.255962 0.878140 Ge\n0.000000 0.755961 0.121860 Ge\n",
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{
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"structure_string": "Hf10 Co2 Sn6\n1.0\n0.000000 0.000000 -5.791758\n-4.315792 -7.475171 0.000000\n-4.315792 7.475171 0.000000\nHf Co Sn\n10 2 6\ndirect\n0.750000 0.754418 0.754418 Hf\n0.250000 0.245582 0.245582 Hf\n0.750000 0.000000 0.245582 Hf\n0.250000 0.000000 0.754418 Hf\n0.750000 0.245582 0.000000 Hf\n0.250000 0.754418 0.000000 Hf\n0.000000 0.666667 0.333333 Hf\n0.000000 0.333333 0.666667 Hf\n0.500000 0.333333 0.666667 Hf\n0.500000 0.666667 0.333333 Hf\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.750000 0.397996 0.397996 Sn\n0.250000 0.602004 0.602004 Sn\n0.750000 0.000000 0.602004 Sn\n0.250000 0.000000 0.397996 Sn\n0.750000 0.602004 0.000000 Sn\n0.250000 0.397996 0.000000 Sn\n",
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{
"id": "mp-542664",
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"structure_string": "Ce8 Si4 Se4 O16\n1.0\n6.285388 0.000000 0.000000\n0.000000 7.260301 0.000000\n0.000000 0.000000 11.179103\nCe Si Se O\n8 4 4 16\ndirect\n0.132218 0.034472 0.250000 Ce\n0.132218 0.465528 0.750000 Ce\n0.867782 0.534472 0.250000 Ce\n0.867782 0.965528 0.750000 Ce\n0.607462 0.250000 0.000000 Ce\n0.392538 0.750000 0.500000 Ce\n0.392538 0.750000 0.000000 Ce\n0.607462 0.250000 0.500000 Ce\n0.112964 0.250000 0.000000 Si\n0.887036 0.750000 0.500000 Si\n0.887036 0.750000 0.000000 Si\n0.112964 0.250000 0.500000 Si\n0.424178 0.389157 0.250000 Se\n0.424178 0.110843 0.750000 Se\n0.575822 0.889157 0.250000 Se\n0.575822 0.610843 0.750000 Se\n0.046779 0.765537 0.117325 O\n0.046779 0.734463 0.882675 O\n0.953221 0.265537 0.382675 O\n0.953221 0.234463 0.617325 O\n0.953221 0.234463 0.882675 O\n0.953221 0.265537 0.117325 O\n0.046779 0.734463 0.617325 O\n0.046779 0.765537 0.382675 O\n0.270056 0.075139 0.031602 O\n0.270056 0.424861 0.968398 O\n0.729944 0.575139 0.468398 O\n0.729944 0.924861 0.531602 O\n0.729944 0.924861 0.968398 O\n0.729944 0.575139 0.031602 O\n0.270056 0.424861 0.531602 O\n0.270056 0.075139 0.468398 O\n",
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{
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{
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"energy_uncorrected": -43.21652937,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.192000Z",
"spacegroup": 139
}
]
}