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{
"id": "jvasp-10343",
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"structure_string": "Co2 Ge4 O12\n1.0\n5.227163 0.139855 1.324593\n1.520990 6.341710 0.841752\n0.236595 0.085393 6.570843\nCo Ge O\n2 4 12\ndirect\n0.750000 0.920226 0.079773 Co\n0.250001 0.079772 0.920226 Co\n0.771823 0.390411 0.197311 Ge\n0.728178 0.802687 0.609588 Ge\n0.228178 0.609588 0.802687 Ge\n0.271823 0.197311 0.390411 Ge\n0.631455 0.985142 0.820801 O\n0.868546 0.179197 0.014857 O\n0.762797 0.641796 0.051701 O\n0.737203 0.948298 0.358204 O\n0.237204 0.358204 0.948297 O\n0.568045 0.594122 0.677859 O\n-0.068044 0.322140 0.405877 O\n0.131455 0.820801 0.985142 O\n0.068045 0.677860 0.594122 O\n0.431956 0.405877 0.322139 O\n0.262798 0.051701 0.641796 O\n0.368546 0.014857 0.179198 O\n",
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"structure_string": "Li8 Pb2 O8\n1.0\n5.518846 -0.061733 -0.000000\n-0.776468 5.464300 0.000000\n-0.000000 -0.000000 6.590191\nLi Pb O\n8 2 8\ndirect\n0.153571 0.846429 0.500000 Li\n0.846430 0.153571 0.000000 Li\n0.889899 0.597243 0.250000 Li\n0.110101 0.402757 0.750000 Li\n0.597243 0.889899 0.250000 Li\n0.402757 0.110101 0.750000 Li\n0.153571 0.846429 0.000000 Li\n0.846430 0.153571 0.500000 Li\n0.357464 0.357464 0.250000 Pb\n0.642536 0.642536 0.750000 Pb\n0.286729 0.740305 0.750000 O\n0.793191 0.793191 0.023803 O\n0.206809 0.206809 0.523803 O\n0.793191 0.793191 0.476197 O\n0.206809 0.206809 0.976196 O\n0.259695 0.713271 0.250000 O\n0.740306 0.286730 0.750000 O\n0.713271 0.259695 0.250000 O\n",
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{
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"updated_at": "2022-09-04T14:37:16.550020Z",
"structure_string": "Ba2 Nd4 Zn2 S10\n1.0\n7.054693 0.000000 -3.520565\n-1.756899 6.832423 -3.520565\n-0.001661 -0.002142 8.825236\nBa Nd Zn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.750000 0.750000 0.499999 Ba\n0.338746 0.161254 -0.000000 Nd\n0.161254 0.661254 -0.000001 Nd\n0.661253 0.838746 -0.000001 Nd\n0.838746 0.338746 -0.000001 Nd\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.500000 0.500000 -0.000001 S\n0.484204 0.984204 0.268323 S\n0.984204 0.784118 0.268322 S\n0.284118 0.484204 0.268323 S\n0.015796 0.215882 0.731677 S\n0.715881 0.515796 0.731676 S\n0.515796 0.015796 0.731677 S\n0.215881 0.715882 0.731676 S\n0.784118 0.284118 0.268323 S\n0.000000 0.000000 0.000000 S\n",
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{
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"updated_at": "2022-09-04T14:37:06.552975Z",
"structure_string": "Hg2 I4 O12\n1.0\n0.000000 5.856432 0.014450\n5.576370 0.000000 0.000000\n0.000000 -1.952557 -8.808121\nHg I O\n2 4 12\ndirect\n0.931861 0.747270 0.826815 Hg\n0.068138 0.247270 0.173185 Hg\n0.567372 0.267537 0.848663 I\n0.432628 0.767537 0.151337 I\n0.729376 0.233881 0.433616 I\n0.270623 0.733881 0.566384 I\n0.827319 0.075782 0.934723 O\n0.172680 0.575782 0.065277 O\n0.966450 0.439712 0.415047 O\n0.033549 0.939712 0.584952 O\n0.296380 0.919654 0.295809 O\n0.661127 0.500408 0.993526 O\n0.338872 0.000408 0.006474 O\n0.238528 0.564036 0.739721 O\n0.479854 0.430801 0.351092 O\n0.520146 0.930801 0.648908 O\n0.703620 0.419654 0.704191 O\n0.761471 0.064036 0.260279 O\n",
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{
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"created_at": "2022-09-04T14:38:11.699888Z",
"updated_at": "2022-09-04T14:38:11.699915Z",
"structure_string": "Na3 Li3 C3 O9\n1.0\n4.162252 -7.209233 0.000000\n4.162252 7.209233 -0.000000\n-0.000000 -0.000000 3.255716\nNa Li C O\n3 3 3 9\ndirect\n0.038498 0.323765 0.500001 Na\n0.676235 0.714733 0.500001 Na\n0.285267 0.961501 0.500001 Na\n0.380184 0.340302 0.000000 Li\n0.960117 0.619815 0.000000 Li\n0.659698 0.039883 0.000000 Li\n0.333333 0.666667 0.000000 C\n0.666667 0.333333 0.500001 C\n0.000000 0.000000 0.000000 C\n0.541697 0.383699 0.500001 O\n0.265209 0.488542 0.000000 O\n0.511457 0.776666 0.000000 O\n0.223333 0.734791 0.000000 O\n0.911811 0.819993 0.000000 O\n0.180007 0.091818 0.000000 O\n0.842002 0.458303 0.500001 O\n0.616300 0.157998 0.500001 O\n0.908181 0.088188 0.000000 O\n",
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"volume": 195.38622503226608,
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"formula_full": "Na3 Li3 C3 O9",
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{
"id": "jvasp-57499",
"created_at": "2022-09-04T14:37:10.951587Z",
"updated_at": "2022-09-04T14:37:10.951611Z",
"structure_string": "Si6 O12\n1.0\n6.038877 0.136954 0.059612\n0.060363 6.040128 0.059612\n0.135227 0.136954 6.037657\nSi O\n6 12\ndirect\n0.252652 0.504342 0.889573 Si\n0.504343 0.889573 0.252651 Si\n0.495658 0.110426 0.747349 Si\n0.889573 0.252651 0.504343 Si\n0.110427 0.747348 0.495657 Si\n0.747349 0.495657 0.110427 Si\n-0.000000 0.500000 0.500000 O\n0.751449 0.273682 0.272847 O\n0.500001 -0.000001 0.500000 O\n0.727153 0.248550 0.726318 O\n0.500000 -0.000000 -0.000000 O\n0.273683 0.272847 0.751449 O\n-0.000000 0.500000 -0.000000 O\n0.000000 -0.000000 0.500000 O\n0.726318 0.727152 0.248551 O\n0.248551 0.726317 0.727153 O\n0.272847 0.751449 0.273682 O\n0.500000 0.500000 -0.000000 O\n",
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{
"id": "jvasp-12640",
"created_at": "2022-09-04T14:37:18.144524Z",
"updated_at": "2022-09-04T14:37:18.144534Z",
"structure_string": "Fe3 P3 O12\n1.0\n2.674443 -4.632271 0.000000\n2.674443 4.632271 -0.000000\n0.000000 -0.000000 11.796630\nFe P O\n3 3 12\ndirect\n-0.000000 0.500000 0.833333 Fe\n0.499999 0.499999 0.166667 Fe\n0.500000 -0.000000 0.500000 Fe\n-0.000000 0.500000 0.333333 P\n0.499999 0.499999 0.666667 P\n0.500000 -0.000000 0.000000 P\n0.235249 0.813534 0.925107 O\n0.764750 0.186465 0.925107 O\n0.813534 0.578285 0.258441 O\n0.578285 0.764750 0.591774 O\n0.421714 0.186465 0.074893 O\n0.235249 0.421714 0.741559 O\n0.764750 0.578285 0.741559 O\n0.186465 0.421714 0.258441 O\n0.186465 0.764750 0.408226 O\n0.578285 0.813534 0.074893 O\n0.421714 0.235249 0.591774 O\n0.813534 0.235249 0.408226 O\n",
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{
"id": "jvasp-42683",
"created_at": "2022-09-04T14:37:30.451150Z",
"updated_at": "2022-09-04T14:37:30.451172Z",
"structure_string": "Fe6 O8 F4\n1.0\n4.403454 0.001825 -0.002588\n0.001825 4.403454 -0.002588\n-0.002872 -0.002872 8.692314\nFe O F\n6 8 4\ndirect\n0.983449 0.960813 0.008793 Fe\n0.039186 0.016549 0.324540 Fe\n0.016385 0.983614 0.666666 Fe\n0.508100 0.491898 0.166667 Fe\n0.488234 0.530743 0.826365 Fe\n0.469256 0.511764 0.506967 Fe\n0.810220 0.189778 0.166667 O\n0.693656 0.703056 0.666922 O\n0.688851 0.683493 0.998774 O\n0.296943 0.306343 0.666411 O\n0.191543 0.805526 0.835206 O\n0.194472 0.808455 0.498126 O\n0.204239 0.795759 0.166667 O\n0.316506 0.311147 0.334559 O\n0.792054 0.195848 0.837448 F\n0.295640 0.292898 0.998891 F\n0.707100 0.704359 0.334441 F\n0.804151 0.207945 0.495884 F\n",
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{
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"created_at": "2022-09-04T14:37:34.007959Z",
"updated_at": "2022-09-04T14:37:34.007991Z",
"structure_string": "Sr6 Al2 O8 F2\n1.0\n6.019544 0.000000 -3.129536\n-1.627033 5.795487 -3.129536\n0.016664 0.021987 7.386002\nSr Al O F\n6 2 8 2\ndirect\n0.250000 0.250000 0.500000 Sr\n0.167821 0.667821 -0.000000 Sr\n0.332179 0.167821 -0.000000 Sr\n0.667821 0.832179 -0.000001 Sr\n0.832179 0.332179 -0.000001 Sr\n0.750000 0.750001 0.499999 Sr\n0.250000 0.750001 0.500000 Al\n0.749999 0.250000 0.499999 Al\n0.504876 0.004876 0.296151 O\n0.004876 0.791276 0.296152 O\n0.291276 0.504876 0.296151 O\n0.995123 0.208725 0.703847 O\n0.708724 0.495124 0.703847 O\n0.495124 0.995125 0.703848 O\n0.208724 0.708725 0.703848 O\n0.791275 0.291276 0.296151 O\n0.500000 0.500000 -0.000000 F\n0.000000 0.000000 0.000000 F\n",
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"structure_string": "Zr6 Sn6 Ir6\n1.0\n3.693433 -6.397214 -0.000000\n3.693433 6.397214 0.000000\n-0.000000 0.000000 7.425693\nZr Sn Ir\n6 6 6\ndirect\n0.980423 0.385243 0.250000 Zr\n0.385243 0.980423 0.750000 Zr\n0.404820 0.019576 0.250000 Zr\n0.614756 0.595179 0.250000 Zr\n0.595179 0.614756 0.750000 Zr\n0.019576 0.404820 0.750000 Zr\n0.270867 0.270867 0.000000 Sn\n-0.000000 0.729132 0.500000 Sn\n0.270867 0.270867 0.500000 Sn\n-0.000000 0.729132 0.000000 Sn\n0.729132 -0.000000 0.000000 Sn\n0.729132 -0.000000 0.500000 Sn\n0.666666 0.333333 0.537934 Ir\n0.666666 0.333333 0.962065 Ir\n0.333333 0.666666 0.037934 Ir\n0.333333 0.666666 0.462065 Ir\n0.000000 0.000000 0.750000 Ir\n0.000000 0.000000 0.250000 Ir\n",
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},
{
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"created_at": "2022-09-04T14:37:30.436393Z",
"updated_at": "2022-09-04T14:37:30.436436Z",
"structure_string": "Ca2 V2 Bi2 O12\n1.0\n0.000000 7.019511 0.150986\n5.339649 0.000000 0.000000\n0.000000 -1.691530 -7.313419\nCa V Bi O\n2 2 2 12\ndirect\n0.742536 0.746302 0.945072 Ca\n0.257464 0.246302 0.054927 Ca\n0.216835 0.709288 0.782484 V\n0.783164 0.209288 0.217516 V\n0.395593 0.236156 0.567492 Bi\n0.604407 0.736156 0.432508 Bi\n0.768512 0.544159 0.245256 O\n0.956256 0.137079 0.103736 O\n0.655687 0.471477 0.657741 O\n0.601353 0.951318 0.680613 O\n0.043744 0.637079 0.896263 O\n0.179841 0.525828 0.579969 O\n0.820159 0.025828 0.420031 O\n0.578297 0.084860 0.077756 O\n0.231488 0.044159 0.754743 O\n0.344312 0.971477 0.342258 O\n0.398647 0.451318 0.319387 O\n0.421703 0.584860 0.922244 O\n",
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{
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"created_at": "2022-09-04T14:37:16.252078Z",
"updated_at": "2022-09-04T14:37:16.252107Z",
"structure_string": "Li4 Pt2 F12\n1.0\n0.000000 4.651434 0.000283\n4.655194 0.000000 0.000000\n0.000000 -4.650927 -9.188611\nLi Pt F\n4 2 12\ndirect\n0.336571 0.999870 0.336568 Li\n0.336571 0.500129 0.836567 Li\n0.663427 0.000130 0.663433 Li\n0.663428 0.499870 0.163433 Li\n-0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.967876 0.306021 0.663175 F\n0.032122 0.806020 0.836826 F\n0.032123 0.693979 0.336826 F\n0.967876 0.193979 0.163175 F\n0.298240 0.200345 0.499996 F\n0.298240 0.299655 0.999996 F\n0.701759 0.799654 0.500005 F\n0.358450 0.805890 0.163145 F\n0.641549 0.194109 0.836855 F\n0.358449 0.694109 0.663145 F\n0.701759 0.700345 0.000005 F\n0.641549 0.305890 0.336855 F\n",
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]
}