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{
"id": "jvasp-19094",
"created_at": "2022-09-04T14:36:33.519091Z",
"updated_at": "2022-09-04T14:36:33.519110Z",
"structure_string": "Na8 Ge4 S12\n1.0\n0.000000 5.822431 -0.012343\n15.328981 0.000000 0.000000\n0.000000 -2.753654 -6.247917\nNa Ge S\n8 4 12\ndirect\n0.981029 0.165536 0.441966 Na\n0.018971 0.834464 0.558034 Na\n0.481029 0.334464 0.441966 Na\n0.518971 0.665536 0.558034 Na\n0.834029 0.529595 0.225290 Na\n0.665971 0.029595 0.774710 Na\n0.165971 0.470405 0.774710 Na\n0.334029 0.970405 0.225290 Na\n0.849625 0.330869 0.039732 Ge\n0.650375 0.830869 0.960268 Ge\n0.150376 0.669131 0.960268 Ge\n0.349625 0.169131 0.039732 Ge\n0.197265 0.307940 0.966465 S\n0.549148 0.855141 0.616890 S\n0.049149 0.644859 0.616890 S\n0.950852 0.355141 0.383110 S\n0.450852 0.144859 0.383110 S\n0.829986 0.937735 0.184441 S\n0.670015 0.437735 0.815559 S\n0.170015 0.062265 0.815559 S\n0.329986 0.562265 0.184441 S\n0.802735 0.692060 0.033535 S\n0.697265 0.192060 0.966465 S\n0.302735 0.807940 0.033535 S\n",
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{
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"structure_string": "Ga2 Co1 S4\n1.0\n4.785217 -0.000001 -2.158829\n-0.973946 4.685054 -2.158829\n0.009187 0.011294 6.403186\nGa Co S\n2 1 4\ndirect\n0.500000 0.500000 -0.000000 Ga\n0.250000 0.749999 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n0.872549 0.892558 0.257063 S\n0.635495 0.127450 0.742937 S\n0.107441 0.615483 0.742936 S\n0.384515 0.364505 0.257064 S\n",
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{
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"created_at": "2022-09-04T14:36:33.532609Z",
"updated_at": "2022-09-04T14:36:33.532641Z",
"structure_string": "Tb3 In3 Au3\n1.0\n7.803834 -0.000000 0.000000\n-3.901917 6.758319 0.000000\n0.000000 0.000000 3.934086\nTb In Au\n3 3 3\ndirect\n0.597715 0.000000 0.500001 Tb\n0.402284 0.402285 0.500001 Tb\n-0.000000 0.597716 0.500001 Tb\n0.736395 0.736396 0.000000 In\n-0.000000 0.263605 0.000000 In\n0.263604 0.000000 0.000000 In\n0.333333 0.666667 0.000000 Au\n0.666666 0.333333 0.000000 Au\n0.000000 0.000000 0.500001 Au\n",
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{
"id": "jvasp-96774",
"created_at": "2022-09-04T14:36:33.554861Z",
"updated_at": "2022-09-04T14:36:33.554884Z",
"structure_string": "K4 Mo4 O14\n1.0\n6.425337 0.154927 2.596197\n0.064033 7.192561 0.937457\n-0.025016 -0.014236 7.554726\nK Mo O\n4 4 14\ndirect\n0.236145 0.617790 0.434877 K\n0.763855 0.382210 0.565125 K\n0.303117 0.159065 0.155290 K\n0.696882 0.840934 0.844712 K\n0.825790 0.349271 0.054183 Mo\n0.749349 0.913548 0.313751 Mo\n0.250651 0.086452 0.686250 Mo\n0.174209 0.650729 0.945818 Mo\n0.386450 0.538044 0.786189 O\n0.613549 0.461956 0.213813 O\n0.710865 0.206828 0.952635 O\n0.518932 0.089045 0.642919 O\n0.852506 0.150478 0.267044 O\n0.175097 0.230613 0.516202 O\n0.824902 0.769387 0.483800 O\n0.876319 0.814251 0.096886 O\n0.123681 0.185749 0.903116 O\n0.058613 0.469606 0.142722 O\n0.941387 0.530394 0.857279 O\n0.481067 0.910955 0.357082 O\n0.147493 0.849521 0.732957 O\n0.289134 0.793171 0.047366 O\n",
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"elements": [
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{
"id": "jvasp-8651",
"created_at": "2022-09-04T14:36:33.568716Z",
"updated_at": "2022-09-04T14:36:33.568733Z",
"structure_string": "K2 Pt1 Br4\n1.0\n7.341701 0.000000 -0.000000\n-0.000000 7.341701 0.000000\n0.000000 0.000000 4.262278\nK Pt Br\n2 1 4\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pt\n0.761869 0.761869 0.000000 Br\n0.238131 0.238131 0.000000 Br\n0.238131 0.761869 0.000000 Br\n0.761869 0.238131 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:36:33.575271Z",
"updated_at": "2022-09-04T14:36:33.575290Z",
"structure_string": "V6 O10 F2\n1.0\n0.000000 6.502393 0.002005\n2.897511 0.000000 0.000000\n0.000000 -3.241542 -9.815205\nV O F\n6 10 2\ndirect\n0.994826 0.000000 0.982309 V\n0.808778 0.500000 0.656856 V\n0.504572 0.500000 0.005250 V\n0.349570 0.000000 0.676323 V\n0.668284 0.000000 0.330184 V\n0.177487 0.500000 0.353058 V\n0.970356 0.000000 0.331884 O\n0.628291 0.000000 0.664533 O\n0.601037 0.500000 0.200414 O\n0.263099 0.500000 0.538865 O\n0.736011 0.500000 0.466171 O\n0.704733 0.000000 -0.000872 O\n0.366353 0.000000 0.335736 O\n0.298470 0.000000 0.001418 O\n0.931997 0.500000 0.857867 O\n0.396876 0.500000 0.802971 O\n0.031687 0.000000 0.665030 F\n0.067571 0.500000 0.132003 F\n",
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"formula_full": "V6 O10 F2",
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{
"id": "jvasp-100639",
"created_at": "2022-09-04T14:36:33.582959Z",
"updated_at": "2022-09-04T14:36:33.582991Z",
"structure_string": "Ta2 Cr1 Si6\n1.0\n4.768061 0.004266 0.000000\n-2.466111 4.080774 0.000000\n0.000000 0.000000 6.525969\nTa Cr Si\n2 1 6\ndirect\n0.500000 0.000000 0.663938 Ta\n-0.000000 0.500000 0.336062 Ta\n0.500000 0.500000 0.000000 Cr\n0.159672 0.840327 0.000000 Si\n0.169856 0.323799 0.675141 Si\n0.676201 0.830144 0.324859 Si\n0.840329 0.159672 0.000000 Si\n0.830144 0.676201 0.675141 Si\n0.323799 0.169856 0.324859 Si\n",
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{
"id": "jvasp-99732",
"created_at": "2022-09-04T14:36:33.552485Z",
"updated_at": "2022-09-04T14:36:33.552511Z",
"structure_string": "Cd1 Hg3 Te4\n1.0\n6.610067 0.000000 0.000000\n0.000000 6.610067 -0.000000\n-0.000000 0.000000 6.610067\nCd Hg Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.249093 0.249093 0.249093 Te\n0.750908 0.750908 0.249093 Te\n0.249093 0.750908 0.750908 Te\n0.750908 0.249093 0.750908 Te\n",
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{
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"created_at": "2022-09-04T14:36:33.557384Z",
"updated_at": "2022-09-04T14:36:33.557402Z",
"structure_string": "Nb2 Br4 O2\n1.0\n3.779407 0.000035 -1.067599\n-0.506777 6.824434 -1.793937\n0.009117 -0.028379 7.254380\nNb Br O\n2 4 2\ndirect\n0.012465 0.714940 0.999222 Nb\n0.013243 0.285055 0.000773 Nb\n0.916846 0.930999 0.733674 Br\n0.888421 0.415333 0.686459 Br\n0.201903 0.584669 0.313540 Br\n0.183123 0.068999 0.266326 Br\n0.537191 0.721235 0.997581 O\n0.539609 0.278766 0.002422 O\n",
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{
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"created_at": "2022-09-04T14:36:33.584605Z",
"updated_at": "2022-09-04T14:36:33.584627Z",
"structure_string": "Ta4 Tl8 S22\n1.0\n7.873638 -0.011283 0.159596\n0.601221 8.470247 2.689875\n-0.022643 0.012141 13.340963\nTa Tl S\n4 8 22\ndirect\n0.879828 0.634648 0.696581 Ta\n0.665435 0.892989 0.809564 Ta\n0.334566 0.107011 0.190436 Ta\n0.120172 0.365353 0.303418 Ta\n0.750064 0.580854 0.417967 Tl\n0.064851 0.762494 0.977738 Tl\n0.502607 0.718158 0.115876 Tl\n0.497393 0.281842 0.884124 Tl\n0.778986 0.032406 0.429297 Tl\n0.221015 0.967594 0.570702 Tl\n0.249937 0.419147 0.582033 Tl\n0.935150 0.237507 0.022262 Tl\n0.728825 0.600608 0.889866 S\n0.591418 0.926191 0.252400 S\n0.408582 0.073810 0.747600 S\n0.962631 0.870293 0.745893 S\n0.037369 0.129708 0.254106 S\n0.989629 0.292910 0.466055 S\n0.471856 0.683164 0.882013 S\n0.728837 0.962179 0.956196 S\n0.271164 0.037822 0.043804 S\n0.363472 0.856158 0.333467 S\n0.636528 0.143843 0.666533 S\n0.396463 0.437779 0.347956 S\n0.603537 0.562221 0.652044 S\n0.113179 0.488119 0.814119 S\n0.886821 0.511882 0.185881 S\n0.042304 0.651244 0.244001 S\n0.957697 0.348756 0.755999 S\n0.391326 0.194797 0.369628 S\n0.608674 0.805203 0.630372 S\n0.010371 0.707090 0.533945 S\n0.528145 0.316836 0.117987 S\n0.271175 0.399392 0.110134 S\n",
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{
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"structure_string": "Mg1 Cd1 S2\n1.0\n3.797691 0.000000 0.000000\n0.000000 3.797691 0.000000\n0.000000 0.000000 5.377312\nMg Cd S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
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{
"id": "jvasp-96775",
"created_at": "2022-09-04T14:36:33.615926Z",
"updated_at": "2022-09-04T14:36:33.615940Z",
"structure_string": "La1 Si2 Pt2\n1.0\n4.027096 0.000000 -1.603558\n-0.638524 3.976152 -1.603558\n-0.005132 -0.006022 5.845614\nLa Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.623994 0.623992 0.247984 Si\n0.376009 0.376008 0.752015 Si\n0.250001 0.750000 0.500000 Pt\n0.750001 0.250000 0.500000 Pt\n",
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"formula_full": "La1 Si2 Pt2",
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"spacegroup": 139
}
]
}