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{
"id": "jvasp-47796",
"created_at": "2022-09-04T14:36:40.374858Z",
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"structure_string": "Li4 Fe2 Si2 O8\n1.0\n3.670583 3.853442 0.000000\n-3.670583 3.853442 0.000000\n0.000000 0.000000 6.166559\nLi Fe Si O\n4 2 2 8\ndirect\n0.320746 0.679254 0.500000 Li\n0.187740 0.187740 0.750000 Li\n0.812259 0.812259 0.250000 Li\n0.679254 0.320746 0.000000 Li\n0.177066 0.177066 0.250000 Fe\n0.822934 0.822934 0.750000 Fe\n0.321807 0.678192 0.000000 Si\n0.678192 0.321807 0.500000 Si\n0.189622 0.798899 0.221716 O\n0.201101 0.810377 0.778284 O\n0.292448 0.369804 -0.001612 O\n0.630196 0.707551 0.001612 O\n0.369804 0.292448 0.501612 O\n0.707551 0.630196 0.498388 O\n0.810377 0.201101 0.721716 O\n0.798899 0.189622 0.278284 O\n",
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"structure_string": "Li4 Ti2 Mn2 O8\n1.0\n5.778542 -0.135897 -0.019753\n0.216079 5.776099 -0.019753\n-3.013614 -2.835441 4.134976\nLi Ti Mn O\n4 2 2 8\ndirect\n0.000001 0.500001 0.500001 Li\n0.500001 0.500001 0.500001 Li\n0.500000 -0.000000 0.000000 Li\n0.500000 0.500000 0.000001 Li\n0.000001 0.000000 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.248702 0.751240 0.013224 O\n0.243014 0.240331 0.491700 O\n0.248762 0.751299 0.486778 O\n0.759670 0.756986 0.008302 O\n0.240332 0.243015 0.991701 O\n0.751240 0.248702 0.513224 O\n0.756986 0.759670 0.508303 O\n0.751300 0.248761 0.986779 O\n",
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{
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"structure_string": "Sr1 Ca1 Cu2 O4\n1.0\n4.646997 -0.019302 -2.153144\n-1.903621 4.239243 -2.153144\n0.012548 0.019302 5.121567\nSr Ca Cu O\n1 1 2 4\ndirect\n0.500000 0.500000 0.000001 Sr\n0.000000 0.000000 0.000000 Ca\n0.250000 0.749999 0.500001 Cu\n0.750001 0.250000 0.500001 Cu\n0.500000 0.500000 0.500001 O\n0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000001 O\n",
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"volume": 101.09270115225836,
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"formula_full": "Sr1 Ca1 Cu2 O4",
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{
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"created_at": "2022-09-04T14:36:43.687090Z",
"updated_at": "2022-09-04T14:36:43.687122Z",
"structure_string": "Mn2 In1 Cu4 Sn1\n1.0\n4.200168 0.001092 6.341253\n1.910443 3.740537 6.341253\n0.001783 0.001092 7.606109\nMn In Cu Sn\n2 1 4 1\ndirect\n0.250858 0.250858 0.250858 Mn\n0.749141 0.749142 0.749142 Mn\n0.000000 0.000000 0.000000 In\n0.625206 0.625206 0.625207 Cu\n0.124617 0.124617 0.124617 Cu\n0.875382 0.875383 0.875383 Cu\n0.374793 0.374793 0.374794 Cu\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 8,
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{
"id": "jvasp-47889",
"created_at": "2022-09-04T14:36:49.241159Z",
"updated_at": "2022-09-04T14:36:49.241183Z",
"structure_string": "Li4 Cr2 Si2 O8\n1.0\n0.000000 4.830007 0.034648\n5.620423 0.000000 0.000000\n0.000000 -4.719458 -6.265924\nLi Cr Si O\n4 2 2 8\ndirect\n0.505928 0.815234 0.001693 Li\n0.250125 0.346590 0.744779 Li\n0.505927 0.184765 0.501693 Li\n0.250126 0.653409 0.244779 Li\n0.010391 0.152653 -0.011103 Cr\n0.010390 0.847347 0.488896 Cr\n0.739082 0.666155 0.746533 Si\n0.739082 0.333844 0.246533 Si\n0.064956 0.801813 0.966832 O\n0.847496 0.389441 0.743225 O\n0.399749 0.663396 0.749125 O\n0.619271 0.821851 0.528912 O\n0.064956 0.198187 0.466832 O\n0.847496 0.610559 0.243226 O\n0.399749 0.336603 0.249126 O\n0.619272 0.178148 0.028913 O\n",
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{
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"created_at": "2022-09-04T14:36:53.675955Z",
"updated_at": "2022-09-04T14:36:53.675967Z",
"structure_string": "K4 Nb2 Ag2 S8\n1.0\n5.723374 0.000000 1.494472\n2.861686 6.558092 0.747236\n0.022888 -0.000000 11.618976\nK Nb Ag S\n4 2 2 8\ndirect\n0.193586 0.250000 0.612828 K\n0.806414 0.750000 0.387172 K\n0.556414 0.250000 0.887172 K\n0.443586 0.750000 0.112828 K\n0.375000 0.250000 0.250000 Nb\n0.625000 0.750000 0.750000 Nb\n0.875000 0.250000 0.250000 Ag\n0.125001 0.750000 0.750000 Ag\n0.886673 0.538501 0.869333 S\n0.794507 0.961499 0.630668 S\n0.574826 0.538501 0.630668 S\n0.243995 0.961499 0.869333 S\n0.113327 0.461499 0.130667 S\n0.756006 0.038501 0.130667 S\n0.425174 0.461499 0.369333 S\n0.205493 0.038501 0.369333 S\n",
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{
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"created_at": "2022-09-04T14:36:54.276056Z",
"updated_at": "2022-09-04T14:36:54.276080Z",
"structure_string": "Zn1 Cu2 Ge1 S4\n1.0\n4.859631 0.000000 -2.201872\n-0.997655 4.756122 -2.201872\n0.044568 0.054886 6.562012\nZn Cu Ge S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Cu\n0.249999 0.750000 0.500000 Cu\n0.499999 0.500000 -0.000000 Ge\n0.870635 0.870636 0.254837 S\n0.615800 0.129365 0.745164 S\n0.384199 0.384200 0.254837 S\n0.129364 0.615801 0.745163 S\n",
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{
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"created_at": "2022-09-04T14:36:54.248106Z",
"updated_at": "2022-09-04T14:36:54.248130Z",
"structure_string": "Zr1 Nb2 V1 C4\n1.0\n3.135892 -0.001661 9.987587\n1.529714 2.737480 9.987587\n-0.002833 -0.001661 10.468319\nZr Nb V C\n1 2 1 4\ndirect\n0.121855 0.121856 0.121856 Zr\n0.876537 0.876539 0.876540 Nb\n0.628165 0.628166 0.628166 Nb\n0.373125 0.373126 0.373126 V\n0.501138 0.501139 0.501140 C\n0.252143 0.252144 0.252144 C\n0.003237 0.003237 0.003237 C\n0.743794 0.743795 0.743796 C\n",
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{
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"created_at": "2022-09-04T14:36:49.166420Z",
"updated_at": "2022-09-04T14:36:49.166450Z",
"structure_string": "Ag2 Bi1 Sb1 Te4\n1.0\n5.648529 0.013516 -5.028764\n-1.127922 5.534785 -5.028764\n-0.011013 -0.013516 7.562686\nAg Bi Sb Te\n2 1 1 4\ndirect\n0.500000 0.500001 0.000001 Ag\n0.250001 0.750000 0.500001 Ag\n0.000000 0.000000 0.000000 Bi\n0.750001 0.250000 0.500001 Sb\n0.002484 0.502483 0.500001 Te\n0.743191 0.743192 0.000002 Te\n0.497518 0.997518 0.500002 Te\n0.256810 0.256810 0.000001 Te\n",
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{
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"created_at": "2022-09-04T14:36:40.833843Z",
"updated_at": "2022-09-04T14:36:40.833866Z",
"structure_string": "Pr1 Tl2 In1 Te4\n1.0\n6.767197 0.046877 -2.083410\n-3.678699 5.680170 -2.083410\n-0.025280 -0.046877 7.080602\nPr Tl In Te\n1 2 1 4\ndirect\n0.500000 0.500000 0.000000 Pr\n0.500000 -0.000000 0.500000 Tl\n-0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.583390 0.970060 0.000000 Te\n0.970060 0.583390 0.000000 Te\n0.029940 0.029940 0.613329 Te\n0.416611 0.416611 0.386670 Te\n",
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{
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"created_at": "2022-09-04T14:36:51.275474Z",
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"structure_string": "Mn1 Ga1 Cu2 Se4\n1.0\n5.124943 -0.009527 -4.643190\n-1.013784 5.023681 -4.643190\n0.007811 0.009527 6.915503\nMn Ga Cu Se\n1 1 2 4\ndirect\n0.750000 0.250000 0.499999 Mn\n0.500000 0.500000 -0.000000 Ga\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.124795 0.118936 0.494056 Se\n0.624879 0.630739 0.505943 Se\n0.369261 0.875205 0.994140 Se\n0.881064 0.375120 0.005859 Se\n",
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{
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"created_at": "2022-09-04T14:36:44.842108Z",
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"structure_string": "Li4 Si2 Ni2 O8\n1.0\n4.862989 0.000000 0.000000\n0.000000 5.275621 0.000000\n0.000000 0.000000 6.311904\nLi Si Ni O\n4 2 2 8\ndirect\n0.007739 0.671791 0.249332 Li\n0.507739 0.328209 0.250668 Li\n0.007739 0.671791 0.750667 Li\n0.507739 0.328209 0.749332 Li\n0.498052 0.836248 0.000000 Si\n0.998052 0.163752 0.500000 Si\n0.013633 0.188400 0.000000 Ni\n0.513633 0.811600 0.500000 Ni\n0.157577 0.836792 0.000000 O\n0.605827 0.134230 0.000000 O\n0.104718 0.314350 0.285556 O\n0.604718 0.685650 0.214444 O\n0.105826 0.865770 0.500000 O\n0.657577 0.163208 0.500000 O\n0.604718 0.685650 0.785555 O\n0.104718 0.314350 0.714444 O\n",
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}
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}