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{
"id": "jvasp-104521",
"created_at": "2022-09-04T14:37:11.502408Z",
"updated_at": "2022-09-04T14:37:11.502438Z",
"structure_string": "Rb2 Sc1 Au1 Br6\n1.0\n6.687103 0.000000 3.860800\n2.229034 6.304661 3.860800\n-0.000000 -0.000000 7.721601\nRb Sc Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.757546 0.242454 0.242454 Br\n0.242454 0.242454 0.757546 Br\n0.242453 0.757546 0.757546 Br\n0.242453 0.757546 0.242454 Br\n0.757546 0.242454 0.757546 Br\n0.757545 0.757546 0.242454 Br\n",
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{
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{
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"created_at": "2022-09-04T14:36:43.490319Z",
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"structure_string": "Rb2 Sc1 Au1 F6\n1.0\n5.475528 -0.000000 3.161298\n1.825176 5.162377 3.161298\n-0.000000 -0.000000 6.322595\nRb Sc Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.225726 0.225725 0.774275 F\n0.225726 0.774275 0.774275 F\n0.774275 0.774275 0.225726 F\n0.225726 0.774275 0.225725 F\n0.774275 0.225725 0.774275 F\n0.774275 0.225725 0.225726 F\n",
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"volume": 178.719147789361,
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"formula_full": "Rb2 Sc1 Au1 F6",
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{
"id": "jvasp-107624",
"created_at": "2022-09-04T14:36:31.416927Z",
"updated_at": "2022-09-04T14:36:31.416945Z",
"structure_string": "Rb2 Sc1 Au1 I6\n1.0\n7.181039 -0.000000 4.145975\n2.393680 6.770348 4.145975\n-0.000000 -0.000000 8.291950\nRb Sc Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.499999 Au\n0.753911 0.246089 0.246088 I\n0.246089 0.246089 0.753911 I\n0.246089 0.753911 0.753911 I\n0.246089 0.753911 0.246088 I\n0.753911 0.246089 0.753911 I\n0.753911 0.753911 0.246088 I\n",
"nsites": 10,
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"density_atomic": 0.024805332205954028,
"volume": 403.13912819114347,
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{
"id": "jvasp-108591",
"created_at": "2022-09-04T14:38:00.856547Z",
"updated_at": "2022-09-04T14:38:00.856583Z",
"structure_string": "Rb2 Sc1 Hg1 Br6\n1.0\n6.878010 -0.000000 3.971021\n2.292670 6.484650 3.971021\n-0.000000 -0.000000 7.942042\nRb Sc Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.764476 0.235524 0.235524 Br\n0.235524 0.235524 0.764476 Br\n0.235524 0.764476 0.764476 Br\n0.235524 0.764476 0.235524 Br\n0.764476 0.235524 0.764476 Br\n0.764476 0.764476 0.235523 Br\n",
"nsites": 10,
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},
{
"id": "jvasp-103156",
"created_at": "2022-09-04T14:36:43.117161Z",
"updated_at": "2022-09-04T14:36:43.117192Z",
"structure_string": "Rb2 Sc1 Hg1 F6\n1.0\n5.591244 -0.000000 3.228107\n1.863748 5.271476 3.228107\n-0.000000 -0.000000 6.456213\nRb Sc Hg F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.778537 0.221462 0.221463 F\n0.221462 0.221462 0.778538 F\n0.221462 0.778538 0.778538 F\n0.221462 0.778538 0.221462 F\n0.778537 0.221462 0.778538 F\n0.778537 0.778538 0.221463 F\n",
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"density_atomic": 0.05255105888082143,
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{
"id": "jvasp-104533",
"created_at": "2022-09-04T14:36:45.423314Z",
"updated_at": "2022-09-04T14:36:45.423340Z",
"structure_string": "Rb2 Sc1 In1 Br6\n1.0\n6.998461 -0.000000 4.040563\n2.332820 6.598212 4.040563\n-0.000000 -0.000000 8.081127\nRb Sc In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.768597 0.231403 0.231403 Br\n0.231403 0.231403 0.768597 Br\n0.231403 0.768597 0.768597 Br\n0.231403 0.768597 0.231403 Br\n0.768597 0.231403 0.768597 Br\n0.768597 0.768597 0.231403 Br\n",
"nsites": 10,
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"elements": [
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{
"id": "jvasp-100928",
"created_at": "2022-09-04T14:36:40.362045Z",
"updated_at": "2022-09-04T14:36:40.362068Z",
"structure_string": "Rb2 Sc1 In1 F6\n1.0\n5.629603 -0.000000 3.250253\n1.876534 5.307641 3.250253\n-0.000000 -0.000000 6.500506\nRb Sc In F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 In\n0.779725 0.220275 0.220275 F\n0.220274 0.220275 0.779726 F\n0.220274 0.779725 0.779726 F\n0.220274 0.779725 0.220275 F\n0.779725 0.220275 0.779726 F\n0.779724 0.779725 0.220275 F\n",
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{
"id": "jvasp-100931",
"created_at": "2022-09-04T14:36:33.410366Z",
"updated_at": "2022-09-04T14:36:33.410395Z",
"structure_string": "Rb2 Sc1 In1 I6\n1.0\n7.490767 -0.000000 4.324796\n2.496922 7.062363 4.324796\n-0.000000 -0.000000 8.649592\nRb Sc In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.764811 0.235189 0.235190 I\n0.235189 0.235189 0.764811 I\n0.235189 0.764810 0.764811 I\n0.235189 0.764810 0.235190 I\n0.764811 0.235189 0.764811 I\n0.764811 0.764810 0.235190 I\n",
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{
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"created_at": "2022-09-04T14:38:43.287419Z",
"updated_at": "2022-09-04T14:38:43.287441Z",
"structure_string": "Rb1 Sc1 S2 O8\n1.0\n5.271416 0.000000 0.000000\n-2.635707 4.565181 0.000000\n0.000000 0.000000 7.773815\nRb Sc S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666666 0.230022 S\n0.666667 0.333333 0.769979 S\n0.180449 0.361040 0.162211 O\n0.638960 0.819409 0.162211 O\n0.361040 0.180449 0.837789 O\n0.180590 0.819550 0.162211 O\n0.819410 0.638960 0.837789 O\n0.819551 0.180590 0.837789 O\n0.333333 0.666666 0.416816 O\n0.666667 0.333333 0.583185 O\n",
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],
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{
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"structure_string": "Rb2 Sc1 Tl1 Br6\n1.0\n7.035510 -0.000000 4.061953\n2.345170 6.633142 4.061953\n-0.000000 -0.000000 8.123907\nRb Sc Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.770176 0.229824 0.229824 Br\n0.229824 0.229824 0.770176 Br\n0.229824 0.770176 0.770176 Br\n0.229824 0.770176 0.229824 Br\n0.770176 0.229824 0.770176 Br\n0.770176 0.770176 0.229823 Br\n",
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{
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"structure_string": "Rb2 Sc1 Tl1 F6\n1.0\n5.674782 -0.000000 3.276337\n1.891594 5.350236 3.276337\n-0.000000 -0.000000 6.552674\nRb Sc Tl F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Tl\n0.781808 0.218192 0.218192 F\n0.218191 0.218192 0.781808 F\n0.218191 0.781809 0.781808 F\n0.218191 0.781809 0.218192 F\n0.781808 0.218192 0.781808 F\n0.781807 0.781809 0.218193 F\n",
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}