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"structure_string": "Ba4 Hf1 Pt1\n1.0\n-0.000000 4.822429 4.822429\n4.822429 0.000000 4.822429\n4.822429 4.822429 0.000000\nBa Hf Pt\n4 1 1\ndirect\n0.122540 0.625821 0.625821 Ba\n0.625821 0.625821 0.625821 Ba\n0.625821 0.122540 0.625821 Ba\n0.625821 0.625821 0.122540 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Pt\n",
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"structure_string": "K4 U2 Te6\n1.0\n7.611638 0.000000 2.536267\n3.805819 6.945260 1.268134\n0.006666 0.000000 8.487902\nK U Te\n4 2 6\ndirect\n0.654260 0.691482 0.500000 K\n0.345741 0.308518 0.500000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.831809 0.336381 0.000000 U\n0.168191 0.663619 -0.000000 U\n0.206883 0.000000 0.787649 Te\n0.573558 0.365820 0.782485 Te\n0.939379 0.634180 0.782485 Te\n0.426443 0.634180 0.217514 Te\n0.060622 0.365820 0.217514 Te\n0.793117 0.000000 0.212350 Te\n",
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{
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"updated_at": "2022-09-04T14:38:51.621556Z",
"structure_string": "Mg1 Br2\n1.0\n3.662634 0.000000 0.000000\n0.000000 4.279996 0.000000\n0.000000 0.000000 7.154105\nMg Br\n1 2\ndirect\n0.466649 0.000000 0.000000 Mg\n-0.033324 0.000000 0.752112 Br\n-0.033324 0.000000 0.247889 Br\n",
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{
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"created_at": "2022-09-04T14:35:41.324527Z",
"updated_at": "2022-09-04T14:35:41.324548Z",
"structure_string": "Ba2 Sc1 Sb1\n1.0\n0.000000 4.212615 4.212615\n4.212615 0.000000 4.212615\n4.212615 4.212615 -0.000000\nBa Sc Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Sc\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"spacegroup": 225
},
{
"id": "jvasp-66346",
"created_at": "2022-09-04T14:36:07.523113Z",
"updated_at": "2022-09-04T14:36:07.523137Z",
"structure_string": "Ba4 Mg1 Re1\n1.0\n0.000000 4.821845 4.821845\n4.821845 -0.000000 4.821845\n4.821845 4.821845 -0.000000\nBa Mg Re\n4 1 1\ndirect\n0.121375 0.626209 0.626209 Ba\n0.626209 0.626209 0.626209 Ba\n0.626209 0.121375 0.626209 Ba\n0.626209 0.626209 0.121375 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Re\n",
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{
"id": "jvasp-66667",
"created_at": "2022-09-04T14:36:22.079050Z",
"updated_at": "2022-09-04T14:36:22.079075Z",
"structure_string": "Ba4 Sn1 Pt1\n1.0\n0.000000 4.821624 4.821624\n4.821624 0.000000 4.821624\n4.821624 4.821624 -0.000000\nBa Sn Pt\n4 1 1\ndirect\n0.126263 0.624578 0.624578 Ba\n0.624578 0.624578 0.624578 Ba\n0.624578 0.126263 0.624578 Ba\n0.624578 0.624578 0.126263 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "jvasp-32741",
"created_at": "2022-09-04T14:36:52.762456Z",
"updated_at": "2022-09-04T14:36:52.762482Z",
"structure_string": "Hf2 I6\n1.0\n7.317088 0.000000 -0.000000\n-3.658544 6.336785 -0.000000\n0.000000 -0.000000 6.445945\nHf I\n2 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.328433 0.000000 0.250000 I\n0.671567 0.000000 0.749999 I\n0.000000 0.328433 0.250000 I\n0.328433 0.328433 0.749999 I\n0.000000 0.671566 0.749999 I\n0.671567 0.671566 0.250000 I\n",
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"elements": [
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"volume": 298.87792953074614,
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"formula_full": "Hf2 I6",
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{
"id": "jvasp-66058",
"created_at": "2022-09-04T14:35:52.498568Z",
"updated_at": "2022-09-04T14:35:52.498601Z",
"structure_string": "Ba4 Cd1 Tc1\n1.0\n0.000000 4.821255 4.821255\n4.821255 -0.000000 4.821255\n4.821255 4.821255 0.000000\nBa Cd Tc\n4 1 1\ndirect\n0.122762 0.625745 0.625745 Ba\n0.625745 0.625745 0.625745 Ba\n0.625745 0.122762 0.625745 Ba\n0.625745 0.625745 0.122762 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Tc\n",
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"volume": 224.1353215256763,
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"formula_full": "Ba4 Cd1 Tc1",
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"spacegroup": 216
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{
"id": "jvasp-33838",
"created_at": "2022-09-04T14:37:59.115331Z",
"updated_at": "2022-09-04T14:37:59.115340Z",
"structure_string": "Tb2 Br6\n1.0\n9.575185 0.000000 -0.000000\n-4.787594 8.292356 0.000000\n-0.000000 -0.000000 3.763713\nTb Br\n2 6\ndirect\n0.333333 0.666667 0.750001 Tb\n0.666666 0.333333 0.250000 Tb\n0.205932 0.411864 0.250000 Br\n0.588136 0.794069 0.250000 Br\n0.205933 0.794069 0.250000 Br\n0.794067 0.588136 0.750001 Br\n0.411865 0.205933 0.750001 Br\n0.794068 0.205933 0.750001 Br\n",
"nsites": 8,
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"volume": 298.84198420409746,
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"formula_full": "Tb2 Br6",
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"spacegroup": 194
},
{
"id": "jvasp-66384",
"created_at": "2022-09-04T14:36:03.121580Z",
"updated_at": "2022-09-04T14:36:03.121608Z",
"structure_string": "Ba4 Ti1 Pt1\n1.0\n-0.000000 4.821119 4.821119\n4.821119 0.000000 4.821119\n4.821119 4.821119 -0.000000\nBa Ti Pt\n4 1 1\ndirect\n0.128061 0.623979 0.623979 Ba\n0.623979 0.623979 0.623979 Ba\n0.623979 0.128061 0.623979 Ba\n0.623979 0.623979 0.128061 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Pt\n",
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{
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"structure_string": "Li2 I1\n1.0\n6.580173 0.000000 0.096834\n0.000000 3.987267 0.000000\n-0.081591 0.000000 4.269658\nLi I\n2 1\ndirect\n-0.190898 0.000000 -0.037419 Li\n0.179694 0.000000 0.467848 Li\n0.411203 0.000000 -0.030429 I\n",
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{
"id": "jvasp-66589",
"created_at": "2022-09-04T14:36:10.936886Z",
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"structure_string": "Ba4 Sb1 Pt1\n1.0\n0.000000 4.820849 4.820849\n4.820849 0.000000 4.820849\n4.820849 4.820849 -0.000000\nBa Sb Pt\n4 1 1\ndirect\n0.125484 0.624838 0.624838 Ba\n0.624838 0.624838 0.624838 Ba\n0.624838 0.125484 0.624838 Ba\n0.624838 0.624838 0.125484 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
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