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{
"id": "jvasp-110588",
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"updated_at": "2022-09-04T14:38:38.294317Z",
"structure_string": "Ga2 Hg1 Te4\n1.0\n5.503540 -0.048548 -5.215402\n-1.050692 5.402533 -5.215402\n0.040376 0.048548 7.582068\nGa Hg Te\n2 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500001 Ga\n0.000000 0.000000 0.000000 Hg\n0.837891 0.405213 -0.000000 Te\n0.405214 0.837890 0.000000 Te\n0.162110 0.162109 0.567324 Te\n0.594787 0.594786 0.432677 Te\n",
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"structure_string": "Ga2 Ag2 Se2 S2\n1.0\n5.330151 -0.011364 2.519372\n-1.207346 5.191624 2.519372\n-0.009021 -0.011335 6.773984\nGa Ag Se S\n2 2 2 2\ndirect\n0.249145 0.492921 0.501402 Ga\n0.492921 0.249146 0.001402 Ga\n0.735316 0.032876 0.498131 Ag\n0.032875 0.735315 -0.001868 Ag\n0.870663 0.605528 0.742395 Se\n0.605528 0.870663 0.242396 Se\n0.362605 0.160944 0.758070 S\n0.160944 0.362605 0.258071 S\n",
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"created_at": "2022-09-04T14:38:37.473845Z",
"updated_at": "2022-09-04T14:38:37.473864Z",
"structure_string": "Fe2 Co1 Se4\n1.0\n5.551410 0.000565 2.908900\n4.430282 3.345259 2.908900\n-0.028804 -0.009655 6.140405\nFe Co Se\n2 1 4\ndirect\n0.499999 0.499999 0.501534 Fe\n0.760992 0.760994 0.213980 Fe\n0.237261 0.237259 0.787488 Co\n0.618485 0.618487 0.047778 Se\n0.381448 0.381446 0.951161 Se\n0.135497 0.135496 0.524708 Se\n0.866319 0.866321 0.473353 Se\n",
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"formula_full": "Fe2 Co1 Se4",
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"spacegroup": 8
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{
"id": "jvasp-110584",
"created_at": "2022-09-04T14:38:37.236534Z",
"updated_at": "2022-09-04T14:38:37.236562Z",
"structure_string": "Fe2 Cu1 S3\n1.0\n3.573135 0.000000 0.000000\n-1.786567 3.094425 -0.000000\n0.000000 0.000000 8.653934\nFe Cu S\n2 1 3\ndirect\n0.000000 0.000000 0.269324 Fe\n0.666666 0.333334 0.566351 Fe\n0.333333 0.666668 0.917167 Cu\n0.000000 0.000000 0.019583 S\n0.666666 0.333334 0.322732 S\n0.333333 0.666668 0.654842 S\n",
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"volume": 95.68480250044728,
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"formula_full": "Fe2 Cu1 S3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 156
},
{
"id": "jvasp-110582",
"created_at": "2022-09-04T14:38:39.743107Z",
"updated_at": "2022-09-04T14:38:39.743129Z",
"structure_string": "Hf2 Al3 Cu1\n1.0\n4.527245 -0.006396 2.443666\n1.455031 4.287059 2.443666\n-0.008939 -0.006396 5.144646\nHf Al Cu\n2 3 1\ndirect\n0.124436 0.124435 0.124436 Hf\n0.875564 0.875563 0.875567 Hf\n-0.000000 0.500000 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.500000 -0.000001 0.500001 Al\n0.500000 0.499999 0.500002 Cu\n",
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{
"id": "jvasp-110581",
"created_at": "2022-09-04T14:38:39.164882Z",
"updated_at": "2022-09-04T14:38:39.164900Z",
"structure_string": "In1 Ag1 Se2\n1.0\n4.130505 -0.031529 6.135249\n1.849491 3.693433 6.135249\n-0.051488 -0.031529 7.395925\nIn Ag Se\n1 1 2\ndirect\n0.507882 0.507881 0.507881 In\n0.988934 0.988932 0.988933 Ag\n0.122736 0.122736 0.122736 Se\n0.630449 0.630448 0.630449 Se\n",
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"formula_full": "In1 Ag1 Se2",
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{
"id": "jvasp-110580",
"created_at": "2022-09-04T14:38:39.302540Z",
"updated_at": "2022-09-04T14:38:39.302563Z",
"structure_string": "Ho1 Cu4 Ni1\n1.0\n4.965035 0.000000 -0.000000\n-2.482516 4.299846 -0.000000\n0.000000 -0.000000 4.079325\nHo Cu Ni\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666666 0.333333 0.000000 Cu\n0.499125 0.998252 0.499999 Cu\n0.001749 0.500875 0.499999 Cu\n0.499125 0.500875 0.499999 Cu\n0.333333 0.666668 0.000000 Ni\n",
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"formula_full": "Ho1 Cu4 Ni1",
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"spacegroup": 187
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{
"id": "jvasp-11058",
"created_at": "2022-09-04T14:37:29.613199Z",
"updated_at": "2022-09-04T14:37:29.613210Z",
"structure_string": "Mg2 Co4 O8\n1.0\n4.992121 0.000005 2.882207\n1.664046 4.706739 2.882204\n0.000001 -0.000002 5.764412\nMg Co O\n2 4 8\ndirect\n0.875000 0.875003 0.874998 Mg\n0.125002 0.124996 0.125001 Mg\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.264144 0.264148 0.264145 O\n0.735856 0.735852 0.292436 O\n0.292438 0.735852 0.735854 O\n0.735857 0.292431 0.735856 O\n0.707563 0.264147 0.264145 O\n0.264144 0.707568 0.264144 O\n0.264144 0.264148 0.707564 O\n0.735856 0.735852 0.735855 O\n",
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"volume": 135.44410177903256,
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"formula_full": "Mg2 Co4 O8",
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{
"id": "jvasp-110579",
"created_at": "2022-09-04T14:38:39.126177Z",
"updated_at": "2022-09-04T14:38:39.126205Z",
"structure_string": "In2 Ag1 Te3 Br1\n1.0\n4.311386 0.000000 0.000000\n0.000000 4.311386 -0.000000\n0.000000 -0.000000 11.630796\nIn Ag Te Br\n2 1 3 1\ndirect\n0.500000 0.500000 0.737182 In\n0.500000 0.500000 0.262819 In\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.759390 Te\n0.000000 0.000000 0.240610 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Br\n",
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"spacegroup": 123
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{
"id": "jvasp-110578",
"created_at": "2022-09-04T14:38:39.233370Z",
"updated_at": "2022-09-04T14:38:39.233392Z",
"structure_string": "Ir1 Pt1\n1.0\n2.667523 0.000663 3.974016\n1.210584 2.377008 3.974016\n0.001082 0.000663 4.786281\nIr Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.499999 0.499999 0.500003 Pt\n",
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{
"id": "jvasp-110577",
"created_at": "2022-09-04T14:38:39.025786Z",
"updated_at": "2022-09-04T14:38:39.025806Z",
"structure_string": "K2 Ca1 Pr1 O4\n1.0\n3.629791 0.000000 0.000000\n0.000000 5.858998 1.865509\n0.000000 0.026954 6.536227\nK Ca Pr O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Pr\n0.500000 0.736001 0.301955 O\n0.000000 0.232503 0.300942 O\n0.500000 0.263998 0.698046 O\n0.000000 0.767496 0.699059 O\n",
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"spacegroup": 10
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{
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"created_at": "2022-09-04T14:38:39.059230Z",
"updated_at": "2022-09-04T14:38:39.059248Z",
"structure_string": "K1 Ti2 Bi1 O6\n1.0\n4.798886 -0.000000 2.770638\n1.599629 4.524433 2.770638\n0.000000 0.000000 5.541276\nK Ti Bi O\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ti\n0.750001 0.750000 0.750001 Ti\n0.500001 0.500000 0.500001 Bi\n0.500000 0.000000 -0.000000 O\n0.000000 0.500000 0.500001 O\n0.000000 0.000000 0.500000 O\n0.500001 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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