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{
"id": "jvasp-119439",
"created_at": "2022-09-04T14:38:50.195847Z",
"updated_at": "2022-09-04T14:38:50.195868Z",
"structure_string": "Hf6 Ga16 Pd7\n1.0\n7.632112 0.000000 4.406402\n2.544037 7.195625 4.406402\n-0.000000 0.000000 8.812804\nHf Ga Pd\n6 16 7\ndirect\n0.683686 0.683685 0.316314 Hf\n0.316315 0.683685 0.316314 Hf\n0.683686 0.316314 0.316314 Hf\n0.316314 0.316314 0.683685 Hf\n0.683686 0.316314 0.683685 Hf\n0.316315 0.683685 0.683685 Hf\n0.340897 0.340897 0.340897 Ga\n0.977308 0.340897 0.340897 Ga\n0.340898 0.977308 0.340897 Ga\n0.340897 0.340897 0.977308 Ga\n0.659103 0.659102 0.659102 Ga\n0.022692 0.659102 0.659102 Ga\n0.659103 0.022692 0.659102 Ga\n0.659103 0.659102 0.022691 Ga\n0.634935 0.121688 0.121688 Ga\n0.121689 0.634934 0.121688 Ga\n0.121688 0.121688 0.634934 Ga\n0.878312 0.878311 0.878311 Ga\n0.365066 0.878311 0.878311 Ga\n0.878311 0.365065 0.878311 Ga\n0.878312 0.878311 0.365065 Ga\n0.121688 0.121688 0.121688 Ga\n0.000000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.000000 -0.000000 Pd\n",
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{
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"structure_string": "Co8 P8 O28\n1.0\n6.535126 0.000000 -2.661145\n0.000000 8.266240 0.000000\n0.012445 0.000000 8.955669\nCo P O\n8 8 28\ndirect\n0.122241 0.073973 0.890336 Co\n0.375520 0.933146 0.678866 Co\n0.124481 0.433146 0.821135 Co\n0.624481 0.066854 0.321134 Co\n0.377760 0.573973 0.609664 Co\n0.622241 0.426027 0.390336 Co\n0.877760 0.926027 0.109664 Co\n0.875520 0.566854 0.178865 Co\n0.565428 0.275434 0.032855 P\n0.434573 0.724566 0.967144 P\n0.065428 0.224566 0.532856 P\n0.934573 0.775434 0.467144 P\n0.821702 0.765453 0.760103 P\n0.321701 0.734547 0.260103 P\n0.178300 0.234547 0.239897 P\n0.678300 0.265453 0.739897 P\n0.912193 0.254277 0.793938 O\n0.587808 0.754277 0.706062 O\n0.087808 0.745723 0.206062 O\n0.412193 0.245723 0.293938 O\n0.330340 0.264736 0.952252 O\n0.169661 0.764736 0.547748 O\n0.658074 0.110402 0.102832 O\n0.649708 0.331150 0.899515 O\n0.841927 0.610402 0.397168 O\n0.341927 0.889598 0.897168 O\n0.158074 0.389598 0.602832 O\n0.637280 0.412630 0.156779 O\n0.862721 0.912630 0.343221 O\n0.362721 0.587370 0.843221 O\n0.137280 0.087370 0.656779 O\n0.569683 0.105885 0.687849 O\n0.830340 0.235264 0.452252 O\n0.930319 0.605885 0.812151 O\n0.069682 0.394115 0.187849 O\n0.593337 0.402352 0.616384 O\n0.906665 0.902352 0.883616 O\n0.406664 0.597648 0.383616 O\n0.093336 0.097648 0.116384 O\n0.149707 0.168850 0.399515 O\n0.350294 0.668850 0.100485 O\n0.850294 0.831150 0.600485 O\n0.430319 0.894115 0.312151 O\n0.669661 0.735264 0.047748 O\n",
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{
"id": "jvasp-63402",
"created_at": "2022-09-04T14:35:46.095819Z",
"updated_at": "2022-09-04T14:35:46.095843Z",
"structure_string": "Ho6 Sb8 Au6\n1.0\n-4.946440 4.946440 4.946440\n4.946440 -4.946440 4.946440\n4.946440 4.946440 -4.946440\nHo Sb Au\n6 8 6\ndirect\n0.375000 0.125000 0.750000 Ho\n0.250000 0.875000 0.125000 Ho\n0.750000 0.625000 0.375000 Ho\n0.125000 0.375000 0.250000 Ho\n0.625000 0.750000 0.875000 Ho\n0.875000 0.250000 0.625000 Ho\n0.318352 0.500000 0.000000 Sb\n0.000000 0.000000 0.818352 Sb\n0.500000 0.318352 0.500000 Sb\n0.681648 0.181648 0.181648 Sb\n0.818352 0.500000 0.000000 Sb\n0.000000 0.000000 0.318352 Sb\n0.181648 0.681648 0.681648 Sb\n0.500000 0.818352 0.500000 Sb\n0.375000 0.250000 0.125000 Au\n0.125000 0.750000 0.375000 Au\n0.875000 0.625000 0.750000 Au\n0.625000 0.875000 0.250000 Au\n0.750000 0.125000 0.875000 Au\n0.250000 0.375000 0.625000 Au\n",
"nsites": 20,
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{
"id": "jvasp-57618",
"created_at": "2022-09-04T14:38:33.806281Z",
"updated_at": "2022-09-04T14:38:33.806307Z",
"structure_string": "Tb6 Cu2 Si2 S14\n1.0\n4.955640 -8.583420 -0.000000\n4.955640 8.583420 -0.000000\n0.000000 -0.000000 5.690947\nTb Cu Si S\n6 2 2 14\ndirect\n0.871845 0.229289 0.752273 Tb\n0.357444 0.128155 0.752273 Tb\n0.229289 0.357444 0.252273 Tb\n0.128155 0.770711 0.252273 Tb\n0.642556 0.871845 0.252273 Tb\n0.770712 0.642556 0.752273 Tb\n0.000000 0.000000 0.790182 Cu\n0.000000 0.000000 0.290182 Cu\n0.333333 0.666667 0.665533 Si\n0.666667 0.333333 0.165533 Si\n0.333333 0.666667 0.036579 S\n0.093791 0.835054 0.774980 S\n0.835054 0.741263 0.274979 S\n0.164946 0.258737 0.774980 S\n0.583341 0.105968 0.015888 S\n0.105968 0.522627 0.515888 S\n0.894032 0.477373 0.015888 S\n0.477373 0.583341 0.515888 S\n0.522627 0.416659 0.015888 S\n0.906209 0.164946 0.274979 S\n0.416659 0.894032 0.515888 S\n0.666667 0.333333 0.536579 S\n0.741263 0.906209 0.774980 S\n0.258737 0.093791 0.274979 S\n",
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{
"id": "jvasp-57459",
"created_at": "2022-09-04T14:38:35.722855Z",
"updated_at": "2022-09-04T14:38:35.722886Z",
"structure_string": "Cd4 Bi4 S8 Cl4\n1.0\n4.015101 0.000000 0.000000\n0.000000 9.493691 0.000000\n0.000000 0.000000 12.703806\nCd Bi S Cl\n4 4 8 4\ndirect\n0.750000 0.496537 0.738300 Cd\n0.250000 0.503462 0.261700 Cd\n0.750000 0.996537 0.761700 Cd\n0.250000 0.003463 0.238300 Cd\n0.250000 0.300467 0.976289 Bi\n0.250000 0.800467 0.523712 Bi\n0.750000 0.199533 0.476289 Bi\n0.750000 0.699533 0.023712 Bi\n0.250000 0.748080 0.167928 S\n0.250000 0.553929 0.889103 S\n0.750000 0.446070 0.110897 S\n0.750000 0.751920 0.667928 S\n0.250000 0.248080 0.332073 S\n0.750000 0.946070 0.389103 S\n0.750000 0.251920 0.832073 S\n0.250000 0.053930 0.610897 S\n0.250000 0.427548 0.604142 Cl\n0.750000 0.572452 0.395858 Cl\n0.750000 0.072452 0.104142 Cl\n0.250000 0.927548 0.895859 Cl\n",
"nsites": 20,
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],
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"formula_full": "Cd4 Bi4 S8 Cl4",
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{
"id": "jvasp-117348",
"created_at": "2022-09-04T14:38:26.267901Z",
"updated_at": "2022-09-04T14:38:26.267923Z",
"structure_string": "Rb4 U2 Te6\n1.0\n8.064649 0.009155 1.250542\n-4.320355 6.809786 1.250542\n0.019820 0.036096 8.826865\nRb U Te\n4 2 6\ndirect\n0.500000 0.500000 -0.000000 Rb\n0.651308 0.348692 0.500000 Rb\n0.348693 0.651308 0.500000 Rb\n0.000000 0.000000 0.500000 Rb\n0.831558 0.168442 -0.000000 U\n0.168443 0.831558 -0.000000 U\n0.804568 0.804567 0.202825 Te\n0.195433 0.195433 0.797175 Te\n0.428690 0.054188 0.209849 Te\n0.571311 0.945813 0.790151 Te\n0.945813 0.571310 0.790151 Te\n0.054188 0.428691 0.209849 Te\n",
"nsites": 12,
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],
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"volume": 484.3799996350666,
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"formula_full": "Rb4 U2 Te6",
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"spacegroup": 12
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{
"id": "jvasp-60910",
"created_at": "2022-09-04T14:35:52.375447Z",
"updated_at": "2022-09-04T14:35:52.375475Z",
"structure_string": "K6 Ge8 Au2\n1.0\n6.168349 0.000000 0.000000\n0.000000 6.630808 0.000000\n0.000000 0.000000 11.845416\nK Ge Au\n6 8 2\ndirect\n0.830264 0.000000 0.736570 K\n0.830264 0.000000 0.263430 K\n0.169736 0.500000 0.236570 K\n0.169736 0.500000 0.763430 K\n0.424173 0.000000 0.500000 K\n0.575827 0.500000 0.000000 K\n0.944723 0.289861 0.500000 Ge\n0.944723 0.710140 0.500000 Ge\n0.055277 0.210140 0.000000 Ge\n0.055277 0.789861 0.000000 Ge\n0.324293 0.000000 0.119135 Ge\n0.324293 0.000000 0.880865 Ge\n0.675707 0.500000 0.619135 Ge\n0.675707 0.500000 0.380865 Ge\n0.686365 0.000000 0.000000 Au\n0.313635 0.500000 0.500000 Au\n",
"nsites": 16,
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{
"id": "jvasp-98451",
"created_at": "2022-09-04T14:35:52.821754Z",
"updated_at": "2022-09-04T14:35:52.821778Z",
"structure_string": "K2 Ca4 Si8 O21\n1.0\n6.577964 -0.010227 -1.806857\n-2.675749 6.553493 -0.810068\n0.004990 -0.017896 11.249115\nK Ca Si O\n2 4 8 21\ndirect\n0.741862 0.712417 0.432113 K\n0.258136 0.287581 0.567886 K\n0.657962 0.783587 0.815782 Ca\n0.342037 0.216411 0.184217 Ca\n0.369020 0.733553 0.040028 Ca\n0.630979 0.266445 0.959971 Ca\n0.131051 0.528941 0.255927 Si\n0.868947 0.471058 0.744072 Si\n0.666997 0.202351 0.472032 Si\n0.333002 0.797647 0.527966 Si\n0.172956 0.904127 0.745412 Si\n0.900932 0.758200 0.111128 Si\n0.099066 0.241799 0.888871 Si\n0.827042 0.095872 0.254587 Si\n0.086325 0.460816 0.849846 O\n0.648982 0.407314 0.780404 O\n0.351017 0.592684 0.219595 O\n0.536145 0.318168 0.392945 O\n0.463854 0.681830 0.607054 O\n0.054665 0.281661 0.258000 O\n0.945334 0.718337 0.741999 O\n0.913674 0.539182 0.150153 O\n0.883223 0.889144 0.238483 O\n0.387519 0.912122 0.851820 O\n0.329441 0.310307 0.999533 O\n0.670557 0.689691 0.000466 O\n0.125528 0.877626 0.085035 O\n0.874471 0.122373 0.914964 O\n0.612480 0.087876 0.148179 O\n0.182781 0.878617 0.599498 O\n0.146398 0.652540 0.392974 O\n0.853601 0.347459 0.607025 O\n0.500000 -0.000001 0.500000 O\n0.116776 0.110854 0.761516 O\n0.817217 0.121382 0.400501 O\n",
"nsites": 35,
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"formula_full": "K2 Ca4 Si8 O21",
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{
"id": "jvasp-96798",
"created_at": "2022-09-04T14:35:44.208405Z",
"updated_at": "2022-09-04T14:35:44.208429Z",
"structure_string": "C4 I4 Cl4 F16\n1.0\n4.957540 -0.097571 0.000000\n-0.384681 4.943556 0.000000\n-0.000000 0.000000 19.804950\nC I Cl F\n4 4 4 16\ndirect\n0.288198 0.711803 0.423685 C\n0.788198 0.211803 0.076315 C\n0.711802 0.288198 0.576315 C\n0.211802 0.788199 0.923685 C\n0.646392 0.353609 0.687097 I\n0.853609 0.146392 0.187097 I\n0.353609 0.646392 0.312903 I\n0.146392 0.853609 0.812903 I\n0.829971 0.170029 0.853972 Cl\n0.329971 0.670030 0.646028 Cl\n0.670029 0.329971 0.353972 Cl\n0.170029 0.829972 0.146028 Cl\n0.802031 0.525991 0.548360 F\n0.071652 0.928349 0.301776 F\n0.571652 0.428349 0.198224 F\n0.525990 0.802031 0.451640 F\n0.928348 0.071652 0.698224 F\n0.974010 0.697970 0.951640 F\n0.474010 0.197970 0.548360 F\n0.891402 0.108599 0.566959 F\n0.302030 0.025990 0.951640 F\n0.197970 0.474010 0.451640 F\n0.108598 0.891403 0.433041 F\n0.608598 0.391402 0.066959 F\n0.428348 0.571652 0.801776 F\n0.391402 0.608599 0.933041 F\n0.025990 0.302031 0.048360 F\n0.697970 0.974011 0.048360 F\n",
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{
"id": "jvasp-85740",
"created_at": "2022-09-04T14:35:55.527992Z",
"updated_at": "2022-09-04T14:35:55.528029Z",
"structure_string": "Y10 Cu2 Pb6\n1.0\n9.164371 -0.000000 0.000000\n-4.582186 7.936578 0.000000\n0.000000 0.000000 6.663626\nY Cu Pb\n10 2 6\ndirect\n-0.000000 0.744805 0.750000 Y\n0.666667 0.333333 0.000000 Y\n0.255195 0.000000 0.250000 Y\n0.666667 0.333333 0.500000 Y\n-0.000000 0.255195 0.250000 Y\n0.744805 0.000000 0.750000 Y\n0.744804 0.744805 0.250000 Y\n0.333333 0.666667 0.000000 Y\n0.333333 0.666667 0.500000 Y\n0.255195 0.255195 0.750000 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n-0.000000 0.388586 0.750000 Pb\n0.388586 0.000000 0.750000 Pb\n0.388586 0.388586 0.250000 Pb\n0.611414 0.611414 0.750000 Pb\n-0.000000 0.611414 0.250000 Pb\n0.611414 0.000000 0.250000 Pb\n",
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{
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"created_at": "2022-09-04T14:37:48.101796Z",
"updated_at": "2022-09-04T14:37:48.101815Z",
"structure_string": "In4 Sb4 S12\n1.0\n3.882718 -0.000000 0.000000\n0.000000 9.444480 0.000000\n0.000000 0.000000 13.218657\nIn Sb S\n4 4 12\ndirect\n0.250000 0.153210 0.043858 In\n0.750000 0.846790 0.956142 In\n0.250000 0.653210 0.456142 In\n0.750000 0.346790 0.543858 In\n0.250000 0.524268 0.850719 Sb\n0.250000 0.024268 0.649281 Sb\n0.750000 0.975732 0.350719 Sb\n0.750000 0.475732 0.149281 Sb\n0.250000 -0.001127 0.882473 S\n0.750000 0.001127 0.117527 S\n0.250000 0.310902 0.208247 S\n0.750000 0.841422 0.520016 S\n0.250000 0.158578 0.479984 S\n0.750000 0.341422 0.979984 S\n0.250000 0.658578 0.020016 S\n0.750000 0.189098 0.708247 S\n0.250000 0.810902 0.291754 S\n0.750000 0.689098 0.791754 S\n0.750000 0.501127 0.382473 S\n0.250000 0.498873 0.617528 S\n",
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{
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"created_at": "2022-09-04T14:36:55.641040Z",
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