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{
"id": "jvasp-81470",
"created_at": "2022-09-04T14:37:18.602835Z",
"updated_at": "2022-09-04T14:37:18.602853Z",
"structure_string": "Ba2 Li1 Mg1\n1.0\n-17.025810 -0.000000 -9.829856\n-9.909393 -0.479336 -2.496139\n-8.752440 2.793022 -4.500041\nBa Li Mg\n2 1 1\ndirect\n0.840792 -0.000001 -0.000000 Ba\n0.159209 -0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 -0.000000 Mg\n",
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{
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"structure_string": "Li1 Mg1 Hg2\n1.0\n-9.672411 0.000000 -5.584370\n-6.420748 0.169151 -0.047676\n-5.444125 2.931459 -1.739238\nLi Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 0.000000 Mg\n0.763261 -0.000000 0.000000 Hg\n0.236739 -0.000000 0.000000 Hg\n",
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{
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"structure_string": "Sr4 Ca4 Ge4\n1.0\n4.936890 -0.000000 0.000000\n0.000000 8.075966 0.000000\n0.000000 0.000000 9.086041\nSr Ca Ge\n4 4 4\ndirect\n0.250000 0.521517 0.179389 Sr\n0.250000 0.021517 0.320611 Sr\n0.750000 0.978483 0.679388 Sr\n0.750000 0.478483 0.820611 Sr\n0.750000 0.852051 0.074820 Ca\n0.250000 0.147949 0.925179 Ca\n0.750000 0.352051 0.425179 Ca\n0.250000 0.647950 0.574820 Ca\n0.750000 0.232565 0.104830 Ge\n0.250000 0.267435 0.604830 Ge\n0.250000 0.767435 0.895170 Ge\n0.750000 0.732566 0.395170 Ge\n",
"nsites": 12,
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{
"id": "jvasp-8002",
"created_at": "2022-09-04T14:37:06.151577Z",
"updated_at": "2022-09-04T14:37:06.151584Z",
"structure_string": "Pr1 Cu5\n1.0\n2.581750 -4.471721 0.000000\n2.581750 4.471721 0.000000\n-0.000000 -0.000000 4.106852\nPr Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 6,
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"elements": [
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"density": 8.03139282165667,
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"volume": 94.82610951178974,
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"formula_full": "Pr1 Cu5",
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"spacegroup": 191
},
{
"id": "jvasp-58367",
"created_at": "2022-09-04T14:37:13.107399Z",
"updated_at": "2022-09-04T14:37:13.107411Z",
"structure_string": "Rb4 Li4 F8\n1.0\n5.791600 -0.000000 0.546764\n2.895800 5.553491 0.273381\n0.066391 0.000000 7.835210\nRb Li F\n4 4 8\ndirect\n0.324313 0.817976 0.568482 Rb\n0.857710 0.817976 0.931517 Rb\n0.675687 0.182023 0.431518 Rb\n0.142290 0.182023 0.068482 Rb\n0.440746 0.604869 0.139206 Li\n0.559254 0.395131 0.860794 Li\n0.045616 0.395131 0.639206 Li\n0.954384 0.604869 0.360793 Li\n0.114013 0.771973 0.250000 F\n0.316869 0.366262 0.750000 F\n0.885987 0.228026 0.750000 F\n0.683131 0.633738 0.250000 F\n0.150571 0.277870 0.415114 F\n0.571560 0.277870 0.084885 F\n0.849429 0.722130 0.584885 F\n0.428440 0.722130 0.915114 F\n",
"nsites": 16,
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"elements": [
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"F"
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"volume": 251.80695552955902,
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"formula_full": "Rb4 Li4 F8",
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{
"id": "jvasp-79991",
"created_at": "2022-09-04T14:37:18.514850Z",
"updated_at": "2022-09-04T14:37:18.514870Z",
"structure_string": "Yb2 Ag1 Pb1\n1.0\n-0.000000 3.716121 3.716121\n3.716121 -0.000000 3.716121\n3.716121 3.716121 0.000000\nYb Ag Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Yb\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Pb\n",
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{
"id": "jvasp-79745",
"created_at": "2022-09-04T14:37:18.511884Z",
"updated_at": "2022-09-04T14:37:18.511914Z",
"structure_string": "Li1 Hg2 Pt1\n1.0\n-11.957693 0.341888 -6.427200\n-7.209034 -0.755132 -1.132457\n-5.935830 2.762683 -3.312606\nLi Hg Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.218563 0.461141 0.460736 Hg\n0.781438 0.538856 -0.460735 Hg\n0.500002 -0.000002 0.999997 Pt\n",
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"formula_full": "Li1 Hg2 Pt1",
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"spacegroup": 12
},
{
"id": "jvasp-24629",
"created_at": "2022-09-04T14:37:18.532430Z",
"updated_at": "2022-09-04T14:37:18.532452Z",
"structure_string": "Hg6 Te4 Cl4\n1.0\n7.708041 -0.000000 -2.725204\n-3.854020 6.675359 -2.725204\n-0.000000 -0.000000 8.175611\nHg Te Cl\n6 4 4\ndirect\n0.250000 0.564261 0.314261 Hg\n0.935739 0.185739 0.750000 Hg\n0.185739 0.750000 0.935740 Hg\n0.564261 0.314261 0.250000 Hg\n0.314261 0.250000 0.564261 Hg\n0.750000 0.935739 0.185740 Hg\n0.571057 0.571057 0.571057 Te\n0.000000 0.928944 0.500000 Te\n0.500000 0.000000 0.928944 Te\n0.928943 0.500000 1.000001 Te\n0.044696 0.044696 0.044696 Cl\n0.000000 0.455305 0.500000 Cl\n0.500000 0.000000 0.455305 Cl\n0.455304 0.500000 1.000000 Cl\n",
"nsites": 14,
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"elements": [
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],
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"volume": 420.6674049024193,
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"formula_full": "Hg6 Te4 Cl4",
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"formula_anonymous": "A2B2C3",
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},
{
"id": "jvasp-39702",
"created_at": "2022-09-04T14:37:41.975322Z",
"updated_at": "2022-09-04T14:37:41.975344Z",
"structure_string": "Li1 Pr1 Hg2\n1.0\n0.000004 3.644905 3.644906\n3.644907 0.000004 3.644906\n3.644909 3.644906 0.000003\nLi Pr Hg\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Li\n0.750000 0.750001 0.749999 Pr\n0.000000 0.000000 0.000000 Hg\n0.499999 0.500000 0.499998 Hg\n",
"nsites": 4,
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"density": 9.413596705942934,
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"formula_full": "Li1 Pr1 Hg2",
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},
{
"id": "jvasp-107872",
"created_at": "2022-09-04T14:37:49.644308Z",
"updated_at": "2022-09-04T14:37:49.644327Z",
"structure_string": "Rb2 Li1 Ce1 Br6\n1.0\n6.797906 -0.000000 3.924773\n2.265969 6.409127 3.924773\n-0.000000 -0.000000 7.849545\nRb Li Ce Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.740951 0.259050 0.259049 Br\n0.259050 0.259050 0.740951 Br\n0.259050 0.740951 0.740950 Br\n0.259050 0.740951 0.259049 Br\n0.740951 0.259050 0.740950 Br\n0.740951 0.740951 0.259049 Br\n",
"nsites": 10,
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"elements": [
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{
"id": "jvasp-39273",
"created_at": "2022-09-04T14:37:55.995152Z",
"updated_at": "2022-09-04T14:37:55.995180Z",
"structure_string": "K3 Sm1\n1.0\n-2.886170 2.886170 6.503844\n2.886170 -2.886170 6.503844\n2.886170 2.886170 -6.503844\nK Sm\n3 1\ndirect\n0.750001 0.250000 0.500001 K\n0.250000 0.750001 0.500001 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Sm\n",
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},
{
"id": "jvasp-40432",
"created_at": "2022-09-04T14:37:56.051441Z",
"updated_at": "2022-09-04T14:37:56.051459Z",
"structure_string": "K4 Ba2 Cd2 Sb4\n1.0\n5.064518 0.000000 0.000000\n0.000000 8.562783 0.000000\n0.000000 0.000000 9.898473\nK Ba Cd Sb\n4 2 2 4\ndirect\n0.500000 0.976763 0.423669 K\n0.000000 0.652276 0.337964 K\n0.500000 0.476763 0.576331 K\n0.000000 0.152276 0.662036 K\n0.000000 0.003940 0.050561 Ba\n0.000000 0.503940 0.949439 Ba\n0.500000 0.847059 0.820513 Cd\n0.500000 0.347059 0.179487 Cd\n0.000000 0.758617 0.675942 Sb\n0.500000 0.715743 0.114948 Sb\n0.000000 0.258617 0.324058 Sb\n0.500000 0.215743 0.885052 Sb\n",
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