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{
"id": "jvasp-117857",
"created_at": "2022-09-04T14:38:51.704523Z",
"updated_at": "2022-09-04T14:38:51.704544Z",
"structure_string": "Pb1 Se1 Br1\n1.0\n3.062982 -0.000000 -0.000000\n0.000000 3.062982 -0.000000\n-0.000000 0.000000 9.707745\nPb Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.347042 Pb\n0.000000 0.000000 0.652670 Se\n0.000000 0.000000 0.028592 Br\n",
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{
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{
"id": "jvasp-114135",
"created_at": "2022-09-04T14:38:26.191095Z",
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"volume": 91.08125579070798,
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"formula_full": "C1 I1 N1",
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{
"id": "jvasp-10571",
"created_at": "2022-09-04T14:37:15.302444Z",
"updated_at": "2022-09-04T14:37:15.302452Z",
"structure_string": "Rb2 Sb4 Se8\n1.0\n6.473446 0.147010 -0.005126\n1.835547 6.891353 -0.052938\n0.816405 1.464322 9.575227\nRb Sb Se\n2 4 8\ndirect\n0.175400 0.185223 0.560155 Rb\n0.824601 0.814776 0.439845 Rb\n0.844072 0.812856 0.955276 Sb\n0.155929 0.187144 0.044724 Sb\n0.446196 0.598505 0.167275 Sb\n0.553805 0.401494 0.832725 Sb\n0.228302 0.852447 0.880265 Se\n0.771698 0.147552 0.119735 Se\n0.320611 0.933091 0.273628 Se\n0.679390 0.066908 0.726372 Se\n0.390971 0.600292 0.584256 Se\n0.609030 0.399707 0.415744 Se\n0.084934 0.491330 0.212880 Se\n0.915067 0.508670 0.787120 Se\n",
"nsites": 14,
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"elements": [
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"volume": 425.0852543604143,
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"formula_full": "Rb2 Sb4 Se8",
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"spacegroup": 2
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{
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"created_at": "2022-09-04T14:37:12.721022Z",
"updated_at": "2022-09-04T14:37:12.721047Z",
"structure_string": "Y3 Mg1\n1.0\n3.545833 0.000000 0.000000\n-1.772916 3.070782 -0.000000\n-0.000000 -0.000000 11.155368\nY Mg\n3 1\ndirect\n0.333332 0.666667 0.500000 Y\n0.666666 0.333333 0.244827 Y\n0.666666 0.333333 0.755173 Y\n0.333332 0.666667 0.000000 Mg\n",
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"formula_full": "Y3 Mg1",
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{
"id": "jvasp-85305",
"created_at": "2022-09-04T14:36:08.151289Z",
"updated_at": "2022-09-04T14:36:08.151315Z",
"structure_string": "Ti2 Ge2 Te12\n1.0\n3.917926 0.000098 0.449260\n1.839605 7.085584 1.261603\n-0.022454 0.012332 17.501463\nTi Ge Te\n2 2 12\ndirect\n0.736587 0.785999 0.740782 Ti\n0.263416 0.214001 0.259218 Ti\n0.280187 0.033483 0.406368 Ge\n0.719816 0.966517 0.593632 Ge\n0.914143 0.917063 0.254655 Te\n0.155326 0.706910 0.982446 Te\n0.411077 0.061856 0.115991 Te\n0.627132 0.400465 0.345373 Te\n0.085861 0.082936 0.745345 Te\n0.588927 0.938144 0.884009 Te\n0.844678 0.293090 0.017554 Te\n0.122537 0.218415 0.536437 Te\n0.877467 0.781584 0.463563 Te\n0.317899 0.543316 0.820801 Te\n0.682104 0.456683 0.179199 Te\n0.372872 0.599534 0.654627 Te\n",
"nsites": 16,
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"elements": [
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],
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"density": 6.056801406566574,
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"volume": 485.87206081826247,
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"formula_full": "Ti2 Ge2 Te12",
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{
"id": "jvasp-22729",
"created_at": "2022-09-04T14:35:58.417168Z",
"updated_at": "2022-09-04T14:35:58.417189Z",
"structure_string": "Sr2 Sb1 Au1\n1.0\n0.000000 3.930797 3.930797\n3.930797 0.000000 3.930797\n3.930797 3.930797 -0.000000\nSr Sb Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sb\n0.249999 0.249999 0.249999 Au\n",
"nsites": 4,
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"Au"
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"formula_full": "Sr2 Sb1 Au1",
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"spacegroup": 225
},
{
"id": "jvasp-79329",
"created_at": "2022-09-04T14:37:12.878882Z",
"updated_at": "2022-09-04T14:37:12.878913Z",
"structure_string": "Sr2 Sb1 Au1\n1.0\n-0.000000 3.930798 3.930798\n3.930798 -0.000000 3.930798\n3.930798 3.930798 0.000000\nSr Sb Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.749999 0.749999 0.749999 Sb\n0.249999 0.249999 0.249999 Au\n",
"nsites": 4,
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],
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"formula_full": "Sr2 Sb1 Au1",
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{
"id": "jvasp-78990",
"created_at": "2022-09-04T14:37:11.925152Z",
"updated_at": "2022-09-04T14:37:11.925170Z",
"structure_string": "Tm3 Th1\n1.0\n-2.489726 2.489726 4.899140\n2.489726 -2.489726 4.899140\n2.489726 2.489726 -4.899140\nTm Th\n3 1\ndirect\n0.750002 0.250000 0.500002 Tm\n0.250000 0.750002 0.500002 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 Th\n",
"nsites": 4,
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},
{
"id": "jvasp-113659",
"created_at": "2022-09-04T14:38:46.735397Z",
"updated_at": "2022-09-04T14:38:46.735421Z",
"structure_string": "Li1 Bi2\n1.0\n5.459916 0.000000 -2.721822\n0.000000 3.272323 0.000000\n-1.587723 0.000000 5.891236\nLi Bi\n1 2\ndirect\n0.086767 0.000000 0.421452 Li\n-0.268023 0.000000 -0.223790 Bi\n0.441778 0.000000 0.066492 Bi\n",
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{
"id": "jvasp-28514",
"created_at": "2022-09-04T14:37:06.108859Z",
"updated_at": "2022-09-04T14:37:06.108889Z",
"structure_string": "Mo3 Se6\n1.0\n3.327024 -0.000000 0.000000\n-1.663513 2.881288 0.000000\n0.000000 0.000000 28.515684\nMo Se\n3 6\ndirect\n0.666667 0.333333 0.349294 Mo\n0.333333 0.666668 0.118450 Mo\n0.333333 0.666668 0.580137 Mo\n0.333333 0.666668 0.407983 Se\n0.666667 0.333333 0.177150 Se\n0.666667 0.333333 0.638762 Se\n0.333333 0.666668 0.290605 Se\n0.666667 0.333333 0.059825 Se\n0.666667 0.333333 0.521438 Se\n",
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},
{
"id": "jvasp-65682",
"created_at": "2022-09-04T14:35:58.808506Z",
"updated_at": "2022-09-04T14:35:58.808532Z",
"structure_string": "K1 Ba1 Se2\n1.0\n4.170431 -0.000000 0.000000\n-0.000000 4.170599 0.000000\n0.000000 0.000000 6.985380\nK Ba Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.760415 Se\n0.000000 0.000000 0.239585 Se\n",
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