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{
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{
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{
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"structure_string": "Sc10 Ga6\n1.0\n0.126756 0.000000 -5.931954\n8.076675 0.000000 -0.028642\n4.038337 -6.995990 -0.014321\nGa Sc\n6 10\ndirect\n0.302999 0.189691 0.094846 Ga\n0.781664 0.599822 0.098729 Ga\n0.218335 0.400178 0.498907 Ga\n0.781664 0.599822 0.501093 Ga\n0.218335 0.400178 0.901271 Ga\n0.697001 0.810309 0.905154 Ga\n0.000000 0.000000 0.149859 Sc\n0.500000 0.000000 0.182400 Sc\n0.244864 0.754599 0.257958 Sc\n0.740966 0.532992 0.266497 Sc\n0.244863 0.754599 0.496643 Sc\n0.755138 0.245401 0.503357 Sc\n0.259033 0.467007 0.733504 Sc\n0.755136 0.245400 0.742044 Sc\n0.499999 0.000000 0.817600 Sc\n0.000000 0.000000 0.850141 Sc\n",
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"formula_full": "Sc10 Ga6",
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{
"id": "oqmd-1438556",
"created_at": "2022-09-04T15:50:10.305231Z",
"updated_at": "2022-09-04T15:50:10.305258Z",
"structure_string": "Ca2 Ir1 W1 N6\n1.0\n4.504191 -2.993038 0.000000\n4.504191 2.993038 0.000000\n-0.011369 0.000000 4.962090\nCa Ir N W\n2 1 6 1\ndirect\n0.148535 0.148535 0.110056 Ca\n0.851465 0.851465 0.889943 Ca\n0.000000 0.000000 0.000000 Ir\n0.921289 0.373218 0.172975 N\n0.373218 0.921289 0.172975 N\n0.882505 0.882505 0.295220 N\n0.117494 0.117494 0.704780 N\n0.626782 0.078710 0.827024 N\n0.078710 0.626782 0.827024 N\n0.500000 0.500000 0.500001 W\n",
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{
"id": "oqmd-680114",
"created_at": "2022-09-04T15:16:49.661067Z",
"updated_at": "2022-09-04T15:16:49.661095Z",
"structure_string": "Pu1 Nb1 O3\n1.0\n3.019305 0.000000 0.000000\n0.000000 3.019305 0.000000\n0.000000 0.000000 3.233253\nNb O Pu\n1 3 1\ndirect\n0.000000 0.000000 0.210945 Nb\n0.499999 0.000000 0.648090 O\n0.000000 0.499999 0.648090 O\n0.499999 0.499999 0.928552 O\n0.499999 0.499999 0.464323 Pu\n",
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{
"id": "oqmd-450156",
"created_at": "2022-09-04T15:01:14.768781Z",
"updated_at": "2022-09-04T15:01:14.768809Z",
"structure_string": "Np1 Cu1 Mo2\n1.0\n0.000000 3.173555 3.173555\n3.173555 0.000000 3.173555\n3.173555 3.173555 0.000000\nCu Mo Np\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Mo\n0.500001 0.500001 0.500001 Mo\n0.750000 0.750000 0.750000 Np\n",
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{
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"created_at": "2022-09-04T15:55:01.111928Z",
"updated_at": "2022-09-04T15:55:01.111947Z",
"structure_string": "Mn2 Ga4 Sb4\n1.0\n2.278284 -4.681981 0.000000\n2.278284 4.681981 0.000000\n-0.000956 0.000000 5.360040\nGa Mn Sb\n4 2 4\ndirect\n0.889646 0.116144 0.136658 Ga\n0.116144 0.889646 0.136658 Ga\n0.883470 0.110735 0.636659 Ga\n0.110735 0.883470 0.636659 Ga\n0.110873 0.110873 0.390997 Mn\n0.889108 0.889108 0.890939 Mn\n0.488874 0.099344 0.388954 Sb\n0.099344 0.488874 0.388954 Sb\n0.900661 0.511140 0.888762 Sb\n0.511140 0.900661 0.888762 Sb\n",
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{
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"created_at": "2022-09-04T14:57:38.166197Z",
"updated_at": "2022-09-04T14:57:38.166227Z",
"structure_string": "Mg1 Pa2 Cu1\n1.0\n0.000000 3.519277 3.519277\n3.519277 0.000000 3.519277\n3.519277 3.519277 0.000000\nCu Mg Pa\n1 1 2\ndirect\n0.250002 0.250002 0.250002 Cu\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500000 0.500000 Pa\n",
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{
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"created_at": "2022-09-04T15:55:29.978656Z",
"updated_at": "2022-09-04T15:55:29.978675Z",
"structure_string": "Ga6 Pb2 W2\n1.0\n2.502839 1.445015 5.259948\n-2.502839 1.445015 5.259948\n0.000000 -2.890029 5.259948\nGa Pb W\n6 2 2\ndirect\n0.384610 0.750000 0.115390 Ga\n0.884610 0.615390 0.250000 Ga\n0.750000 0.115390 0.384610 Ga\n0.250000 0.884610 0.615390 Ga\n0.115390 0.384610 0.750000 Ga\n0.615390 0.250000 0.884610 Ga\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n",
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{
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"created_at": "2022-09-04T15:09:18.360637Z",
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"structure_string": "Pa1 Ni1 Hg2\n1.0\n0.000000 3.473484 3.473484\n3.473484 0.000000 3.473484\n3.473484 3.473484 0.000000\nHg Ni Pa\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n0.250000 0.250000 0.250000 Ni\n0.750001 0.750001 0.750001 Pa\n",
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{
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{
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