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"id": "jvasp-64580",
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{
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"structure_string": "Ba1 Tl1 Pb1\n1.0\n0.000000 3.982836 3.982836\n3.982836 -0.000000 3.982836\n3.982836 3.982836 0.000000\nBa Tl Pb\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Tl\n0.000000 0.000000 0.000000 Pb\n",
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{
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"updated_at": "2022-09-04T14:36:08.316277Z",
"structure_string": "Sr4 Ca4 I16\n1.0\n0.000000 7.994232 0.007449\n7.818407 0.000000 0.000000\n0.000000 -4.648660 -16.183599\nSr Ca I\n4 4 16\ndirect\n0.278451 0.054950 0.842525 Sr\n0.278451 0.445050 0.342525 Sr\n0.721549 0.554951 0.657475 Sr\n0.721549 0.945050 0.157475 Sr\n0.198541 0.337393 0.595863 Ca\n0.198541 0.162607 0.095863 Ca\n0.801459 0.837393 0.904137 Ca\n0.801459 0.662607 0.404137 Ca\n0.948181 0.295559 0.419062 I\n0.948181 0.204441 0.919062 I\n0.537062 0.604638 0.233274 I\n0.509861 0.747538 0.480670 I\n0.537062 0.895362 0.733274 I\n0.490139 0.247538 0.019330 I\n0.509861 0.752462 0.980670 I\n0.051819 0.795559 0.080938 I\n0.490139 0.252462 0.519330 I\n0.462938 0.395362 0.766726 I\n0.047723 0.676173 0.819737 I\n0.051819 0.704441 0.580938 I\n0.952276 0.323827 0.180263 I\n0.952277 0.176173 0.680263 I\n0.462938 0.104638 0.266726 I\n0.047723 0.823827 0.319737 I\n",
"nsites": 24,
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"elements": [
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{
"id": "jvasp-64335",
"created_at": "2022-09-04T14:35:59.169601Z",
"updated_at": "2022-09-04T14:35:59.169641Z",
"structure_string": "Ba4 Ga1 Pb1\n1.0\n-0.000000 5.018679 5.018679\n5.018679 -0.000000 5.018679\n5.018679 5.018679 0.000000\nBa Ga Pb\n4 1 1\ndirect\n0.123651 0.625449 0.625449 Ba\n0.625449 0.625449 0.625449 Ba\n0.625449 0.123651 0.625449 Ba\n0.625449 0.625449 0.123651 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "jvasp-64650",
"created_at": "2022-09-04T14:36:19.580287Z",
"updated_at": "2022-09-04T14:36:19.580315Z",
"structure_string": "Ba4 Ti1 Bi1\n1.0\n0.000000 5.018692 5.018692\n5.018692 -0.000000 5.018692\n5.018692 5.018692 0.000000\nBa Ti Bi\n4 1 1\ndirect\n0.126737 0.624421 0.624421 Ba\n0.624421 0.624421 0.624421 Ba\n0.624421 0.126737 0.624421 Ba\n0.624421 0.624421 0.126737 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Bi\n",
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{
"id": "jvasp-64633",
"created_at": "2022-09-04T14:36:10.704246Z",
"updated_at": "2022-09-04T14:36:10.704277Z",
"structure_string": "Ba4 Hf1 Te1\n1.0\n-0.000000 5.018719 5.018719\n5.018719 0.000000 5.018719\n5.018719 5.018719 -0.000000\nBa Hf Te\n4 1 1\ndirect\n0.124792 0.625070 0.625070 Ba\n0.625070 0.625070 0.625070 Ba\n0.625070 0.124792 0.625070 Ba\n0.625070 0.625070 0.124792 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Te\n",
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{
"id": "jvasp-64257",
"created_at": "2022-09-04T14:37:41.522388Z",
"updated_at": "2022-09-04T14:37:41.522408Z",
"structure_string": "Ba4 Li1 Si1\n1.0\n-0.000000 5.018736 5.018736\n5.018736 -0.000000 5.018736\n5.018736 5.018736 -0.000000\nBa Li Si\n4 1 1\ndirect\n0.119704 0.626766 0.626766 Ba\n0.626766 0.626766 0.626766 Ba\n0.626766 0.119704 0.626766 Ba\n0.626766 0.626766 0.119704 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Si\n",
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},
{
"id": "jvasp-107804",
"created_at": "2022-09-04T14:36:33.976197Z",
"updated_at": "2022-09-04T14:36:33.976210Z",
"structure_string": "K2 Rb1 Sb1 Br6\n1.0\n7.288174 -0.000000 4.207829\n2.429391 6.871356 4.207829\n-0.000000 -0.000000 8.415658\nK Rb Sb Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.764919 0.235081 0.235081 Br\n0.235081 0.235081 0.764919 Br\n0.235080 0.764920 0.764919 Br\n0.235080 0.764920 0.235081 Br\n0.764919 0.235081 0.764920 Br\n0.764919 0.764920 0.235081 Br\n",
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],
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"volume": 421.45310738318744,
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"formula_full": "K2 Rb1 Sb1 Br6",
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"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:36:42.491687Z",
"updated_at": "2022-09-04T14:36:42.491728Z",
"structure_string": "K2 Ag1 Sb1 I6\n1.0\n7.288526 -0.000000 4.208032\n2.429509 6.871688 4.208032\n0.000000 0.000000 8.416065\nK Ag Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.747203 0.252798 0.252797 I\n0.252798 0.252798 0.747202 I\n0.252798 0.747202 0.747202 I\n0.252798 0.747202 0.252797 I\n0.747203 0.252798 0.747202 I\n0.747203 0.747202 0.252797 I\n",
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{
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{
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"created_at": "2022-09-04T14:37:29.742346Z",
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"structure_string": "Ba2 Zn1\n1.0\n4.137164 0.000000 -0.000000\n0.000000 4.137164 0.000000\n-2.068582 -2.068582 7.389988\nBa Zn\n2 1\ndirect\n0.628722 0.628722 0.257444 Ba\n0.371278 0.371278 0.742556 Ba\n0.000000 0.000000 0.000000 Zn\n",
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}