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{
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{
"id": "jvasp-102460",
"created_at": "2022-09-04T14:36:50.569945Z",
"updated_at": "2022-09-04T14:36:50.569966Z",
"structure_string": "Ca2 Tl1 Zn1\n1.0\n4.599246 -0.000000 2.655376\n1.533082 4.336211 2.655376\n-0.000000 -0.000000 5.310752\nCa Tl Zn\n2 1 1\ndirect\n0.750000 0.750000 0.750001 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Zn\n",
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{
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"structure_string": "Mg1 Cu1 Pb1\n1.0\n3.897650 -0.000000 2.250309\n1.299217 3.674739 2.250309\n-0.000000 -0.000000 4.500618\nMg Cu Pb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Cu\n0.500000 0.500000 0.500000 Pb\n",
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{
"id": "jvasp-103341",
"created_at": "2022-09-04T14:36:41.892481Z",
"updated_at": "2022-09-04T14:36:41.892500Z",
"structure_string": "K2 Sr2 I6\n1.0\n7.981613 0.013254 0.000000\n-6.604730 4.481502 0.000000\n-0.000000 0.000000 11.943326\nK Sr I\n2 2 6\ndirect\n0.248870 0.751129 0.250000 K\n0.751129 0.248869 0.750000 K\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.641739 0.358259 0.063328 I\n0.358259 0.641739 0.936672 I\n0.358259 0.641739 0.563328 I\n0.641739 0.358259 0.436672 I\n0.917723 0.082275 0.250000 I\n0.082276 0.917723 0.750000 I\n",
"nsites": 10,
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"formula_full": "K2 Sr2 I6",
"formula_reduced": "KSrI3",
"formula_anonymous": "ABC3",
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"spacegroup": 63
},
{
"id": "jvasp-85028",
"created_at": "2022-09-04T14:37:01.360364Z",
"updated_at": "2022-09-04T14:37:01.360391Z",
"structure_string": "K1 Ba1 Hg2\n1.0\n-14.379136 1.121874 1.348663\n-11.579171 0.957434 4.481646\n-9.362480 3.671412 2.642225\nK Ba Hg\n1 1 2\ndirect\n0.000001 -0.000001 0.999999 K\n0.500001 1.000001 0.999997 Ba\n0.753419 0.007865 0.977605 Hg\n0.246583 0.992136 0.022392 Hg\n",
"nsites": 4,
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"elements": [
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"Ba",
"Hg"
],
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"density": 6.743856951482075,
"density_atomic": 0.028124711349542215,
"volume": 142.22368188198695,
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"formula_reduced": "KBaHg2",
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"spacegroup": 47
},
{
"id": "jvasp-105178",
"created_at": "2022-09-04T14:37:01.362101Z",
"updated_at": "2022-09-04T14:37:01.362120Z",
"structure_string": "Hg6 Pb2\n1.0\n6.611053 0.000000 0.000000\n-3.305527 5.725340 0.000000\n-0.000000 -0.000000 5.753415\nHg Pb\n6 2\ndirect\n0.165173 0.330347 0.250000 Hg\n0.669652 0.834827 0.250000 Hg\n0.165173 0.834827 0.250000 Hg\n0.834826 0.669653 0.750001 Hg\n0.330347 0.165173 0.750001 Hg\n0.834827 0.165173 0.750001 Hg\n0.333333 0.666667 0.750001 Pb\n0.666666 0.333333 0.250000 Pb\n",
"nsites": 8,
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"elements": [
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"density": 12.337122783998588,
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"volume": 217.76978509928003,
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"formula_full": "Hg6 Pb2",
"formula_reduced": "Hg3Pb",
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"spacegroup": 194
},
{
"id": "jvasp-100084",
"created_at": "2022-09-04T14:36:51.167120Z",
"updated_at": "2022-09-04T14:36:51.167153Z",
"structure_string": "K3 Au1 Cl6\n1.0\n6.568405 0.000000 3.792271\n2.189468 6.192752 3.792271\n0.000000 0.000000 7.584541\nK Au Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.767731 0.232269 0.232269 Cl\n0.232269 0.232269 0.767731 Cl\n0.232270 0.767731 0.767731 Cl\n0.232270 0.767731 0.232269 Cl\n0.767731 0.232269 0.767730 Cl\n0.767732 0.767731 0.232269 Cl\n",
"nsites": 10,
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"elements": [
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"formula_full": "K3 Au1 Cl6",
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"spacegroup": 225
},
{
"id": "jvasp-101548",
"created_at": "2022-09-04T14:36:56.893215Z",
"updated_at": "2022-09-04T14:36:56.893239Z",
"structure_string": "Ca2 In1 Hg1\n1.0\n4.652440 -0.000000 2.686087\n1.550813 4.386362 2.686087\n0.000000 -0.000000 5.372175\nCa In Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-105127",
"created_at": "2022-09-04T14:36:52.366956Z",
"updated_at": "2022-09-04T14:36:52.366973Z",
"structure_string": "Ca3 Ac1\n1.0\n5.317926 -0.000000 3.070306\n1.772642 5.013789 3.070306\n-0.000000 -0.000000 6.140612\nCa Ac\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750001 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ac\n",
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"spacegroup": 225
},
{
"id": "jvasp-107267",
"created_at": "2022-09-04T14:37:01.433909Z",
"updated_at": "2022-09-04T14:37:01.433941Z",
"structure_string": "Zn2 Te1 Se1\n1.0\n4.034462 0.001899 6.068562\n1.834569 3.593222 6.068562\n0.003100 0.001899 7.287272\nZn Te Se\n2 1 1\ndirect\n0.994834 0.994834 0.994834 Zn\n0.504934 0.504934 0.504934 Zn\n0.375576 0.375576 0.375576 Te\n0.874655 0.874656 0.874655 Se\n",
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"formula_full": "Zn2 Te1 Se1",
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"formula_anonymous": "ABC2",
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"spacegroup": 160
},
{
"id": "jvasp-85140",
"created_at": "2022-09-04T14:36:52.634534Z",
"updated_at": "2022-09-04T14:36:52.634558Z",
"structure_string": "Eu1 Zn1 Ge1\n1.0\n4.203181 -0.000020 0.000000\n-2.101608 3.640096 0.000000\n0.000000 0.000000 4.122884\nEu Zn Ge\n1 1 1\ndirect\n0.999897 0.999898 0.000000 Eu\n0.333229 0.666562 0.500000 Zn\n0.666574 0.333243 0.500000 Ge\n",
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},
{
"id": "jvasp-105072",
"created_at": "2022-09-04T14:36:50.615070Z",
"updated_at": "2022-09-04T14:36:50.615091Z",
"structure_string": "Rb2 Li1 Tb1 Cl6\n1.0\n6.311053 -0.000000 3.643688\n2.103684 5.950118 3.643688\n-0.000000 -0.000000 7.287377\nTb Rb Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Li\n0.744948 0.255051 0.255052 Cl\n0.255051 0.255051 0.744950 Cl\n0.255050 0.744949 0.744950 Cl\n0.255050 0.744949 0.255052 Cl\n0.744948 0.255051 0.744950 Cl\n0.744948 0.744949 0.255052 Cl\n",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-102064",
"created_at": "2022-09-04T14:36:41.790044Z",
"updated_at": "2022-09-04T14:36:41.790062Z",
"structure_string": "K2 Na1 Bi1 F6\n1.0\n5.485621 -0.000000 3.167125\n1.828541 5.171892 3.167125\n-0.000000 -0.000000 6.334250\nK Na Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Bi\n0.747874 0.252126 0.252125 F\n0.252126 0.252126 0.747874 F\n0.252126 0.747874 0.747874 F\n0.252126 0.747874 0.252125 F\n0.747874 0.252126 0.747873 F\n0.747874 0.747874 0.252125 F\n",
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