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{
"id": "jvasp-103204",
"created_at": "2022-09-04T14:36:38.196243Z",
"updated_at": "2022-09-04T14:36:38.196265Z",
"structure_string": "K1 Rb2 Au1 Br6\n1.0\n6.931496 -0.000000 4.001901\n2.310499 6.535077 4.001901\n0.000000 0.000000 8.003802\nK Rb Au Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Au\n0.766768 0.233232 0.233232 Br\n0.233232 0.233232 0.766767 Br\n0.233232 0.766768 0.766767 Br\n0.233232 0.766768 0.233232 Br\n0.766768 0.233232 0.766767 Br\n0.766768 0.766768 0.233232 Br\n",
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{
"id": "jvasp-100088",
"created_at": "2022-09-04T14:36:38.199036Z",
"updated_at": "2022-09-04T14:36:38.199058Z",
"structure_string": "K2 Sc1 Hg1 I6\n1.0\n7.345182 0.000000 4.240742\n2.448394 6.925104 4.240742\n0.000000 0.000000 8.481485\nK Sc Hg I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.760634 0.239365 0.239365 I\n0.239365 0.239365 0.760635 I\n0.239365 0.760634 0.760635 I\n0.239365 0.760634 0.239366 I\n0.760634 0.239365 0.760635 I\n0.760634 0.760634 0.239365 I\n",
"nsites": 10,
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{
"id": "jvasp-99692",
"created_at": "2022-09-04T14:36:38.353931Z",
"updated_at": "2022-09-04T14:36:38.353947Z",
"structure_string": "Na3 Dy1 Cl6\n1.0\n6.424219 0.000000 3.709024\n2.141406 6.056812 3.709024\n0.000000 0.000000 7.418050\nNa Dy Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Dy\n0.751868 0.248132 0.248132 Cl\n0.248133 0.248132 0.751867 Cl\n0.248133 0.751867 0.751867 Cl\n0.248133 0.751867 0.248132 Cl\n0.751868 0.248132 0.751867 Cl\n0.751868 0.751867 0.248131 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.034645418565028306,
"volume": 288.6384524762006,
"volume_molar": 17.382213895602504,
"formula_full": "Na3 Dy1 Cl6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-102921",
"created_at": "2022-09-04T14:36:38.356717Z",
"updated_at": "2022-09-04T14:36:38.356732Z",
"structure_string": "Ca1 Yb1 Hg2\n1.0\n4.554772 -0.000000 2.629698\n1.518258 4.294280 2.629698\n0.000000 0.000000 5.259398\nYb Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750001 Hg\n",
"nsites": 4,
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"elements": [
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"Ca",
"Hg"
],
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"density": 9.915969023649778,
"density_atomic": 0.038883643608056725,
"volume": 102.87101796116649,
"volume_molar": 15.48759375716582,
"formula_full": "Ca1 Yb1 Hg2",
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"spacegroup": 225
},
{
"id": "jvasp-100094",
"created_at": "2022-09-04T14:36:38.404406Z",
"updated_at": "2022-09-04T14:36:38.404417Z",
"structure_string": "K2 Ga1 Hg1 I6\n1.0\n7.190597 -0.000000 4.151493\n2.396866 6.779360 4.151493\n-0.000000 -0.000000 8.302986\nK Ga Hg I\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.756842 0.243158 0.243158 I\n0.243158 0.243158 0.756842 I\n0.243159 0.756842 0.756842 I\n0.243159 0.756842 0.243157 I\n0.756842 0.243158 0.756842 I\n0.756843 0.756842 0.243157 I\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.02470654678019935,
"volume": 404.75101959673026,
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"formula_full": "K2 Ga1 Hg1 I6",
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"spacegroup": 225
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{
"id": "jvasp-79084",
"created_at": "2022-09-04T14:36:38.529347Z",
"updated_at": "2022-09-04T14:36:38.529368Z",
"structure_string": "Ta2 V1 Ru1\n1.0\n0.000001 3.155765 3.155764\n3.155766 0.000002 3.155763\n3.155766 3.155764 0.000001\nTa V Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.499998 0.500001 0.500001 Ta\n0.749998 0.750002 0.750000 V\n0.250000 0.250001 0.250001 Ru\n",
"nsites": 4,
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"elements": [
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"V",
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],
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"density": 13.576577471172024,
"density_atomic": 0.0636379883784458,
"volume": 62.85553805083507,
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"formula_full": "Ta2 V1 Ru1",
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},
{
"id": "jvasp-99688",
"created_at": "2022-09-04T14:36:38.254277Z",
"updated_at": "2022-09-04T14:36:38.254289Z",
"structure_string": "K2 Na1 Lu1 Cl6\n1.0\n6.382673 0.000000 3.685038\n2.127557 6.017642 3.685038\n-0.000000 -0.000000 7.370075\nK Na Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Lu\n0.755147 0.244853 0.244854 Cl\n0.244853 0.244853 0.755148 Cl\n0.244853 0.755147 0.755148 Cl\n0.244853 0.755147 0.244853 Cl\n0.755147 0.244853 0.755148 Cl\n0.755147 0.755147 0.244854 Cl\n",
"nsites": 10,
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"elements": [
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"Na",
"Lu",
"Cl"
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"density_atomic": 0.035326381146068966,
"volume": 283.0745656808602,
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"formula_full": "K2 Na1 Lu1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-106208",
"created_at": "2022-09-04T14:36:38.266080Z",
"updated_at": "2022-09-04T14:36:38.266102Z",
"structure_string": "K2 Hg1 Rh1 F6\n1.0\n5.425572 -0.000000 3.132456\n1.808524 5.115278 3.132456\n0.000000 0.000000 6.264911\nK Hg Rh F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Hg\n0.000000 0.000000 0.000000 Rh\n0.772011 0.227989 0.227990 F\n0.227988 0.227989 0.772012 F\n0.227988 0.772012 0.772012 F\n0.227988 0.772012 0.227990 F\n0.772011 0.227989 0.772012 F\n0.772010 0.772012 0.227990 F\n",
"nsites": 10,
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"Rh",
"F"
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"density_atomic": 0.0575135694329748,
"volume": 173.8720113981763,
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"formula_full": "K2 Hg1 Rh1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-100614",
"created_at": "2022-09-04T14:36:38.301546Z",
"updated_at": "2022-09-04T14:36:38.301565Z",
"structure_string": "Pm1 Nd1 Zn2\n1.0\n4.478061 -0.000000 2.585410\n1.492687 4.221956 2.585410\n-0.000000 -0.000000 5.170819\nPm Nd Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750001 0.750000 Zn\n",
"nsites": 4,
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-103320",
"created_at": "2022-09-04T14:36:38.322410Z",
"updated_at": "2022-09-04T14:36:38.322431Z",
"structure_string": "Ti1 Al1 Ir2\n1.0\n3.770483 -0.000000 2.176889\n1.256827 3.554846 2.176889\n-0.000000 -0.000000 4.353779\nTi Al Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500001 0.500000 Al\n0.750000 0.750001 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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},
{
"id": "jvasp-107795",
"created_at": "2022-09-04T14:36:38.332248Z",
"updated_at": "2022-09-04T14:36:38.332269Z",
"structure_string": "Na3 Tb1 Cl6\n1.0\n6.434189 -0.000000 3.714781\n2.144730 6.066212 3.714781\n-0.000000 -0.000000 7.429562\nTb Na Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.751053 0.248947 0.248946 Cl\n0.248947 0.248947 0.751053 Cl\n0.248947 0.751053 0.751053 Cl\n0.248947 0.751053 0.248947 Cl\n0.751053 0.248947 0.751053 Cl\n0.751054 0.751053 0.248946 Cl\n",
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{
"id": "jvasp-102977",
"created_at": "2022-09-04T14:36:38.349774Z",
"updated_at": "2022-09-04T14:36:38.349805Z",
"structure_string": "Rb3 Mg1\n1.0\n6.059902 -0.000000 3.498686\n2.019967 5.713331 3.498686\n-0.000000 0.000000 6.997372\nRb Mg\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Mg\n",
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]
}