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{
"id": "jvasp-118805",
"created_at": "2022-09-04T14:38:53.000134Z",
"updated_at": "2022-09-04T14:38:53.000159Z",
"structure_string": "Na2 Si2\n1.0\n5.929013 0.436533 -0.993788\n-1.463838 -5.628610 -0.203642\n1.935474 -0.384900 -3.259604\nNa Si\n2 2\ndirect\n0.143849 0.183448 -0.096491 Na\n0.844964 0.587130 0.702817 Na\n0.557241 0.012626 -0.009747 Si\n0.431655 0.757999 0.616041 Si\n",
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{
"id": "jvasp-74869",
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"structure_string": "Sr1 Be1 Hg2\n1.0\n-2.558543 2.558543 3.615486\n2.558543 -2.558543 3.615486\n2.558543 2.558543 -3.615486\nSr Be Hg\n1 1 2\ndirect\n0.250000 0.750000 0.499999 Sr\n0.750000 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.000000 Hg\n",
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{
"id": "jvasp-34206",
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"structure_string": "Na3 S1 O4 F1\n1.0\n6.021570 0.710360 0.492397\n0.519628 6.054304 0.506906\n0.683866 0.716119 6.007494\nNa S O F\n3 1 4 1\ndirect\n0.401599 -0.009626 0.401762 Na\n0.402742 0.403178 -0.008622 Na\n-0.008018 0.403851 0.403607 Na\n0.503420 0.502379 0.503023 S\n0.648889 0.331694 0.649021 O\n0.329463 0.646710 0.646500 O\n0.647328 0.647653 0.330284 O\n0.385528 0.381548 0.384039 O\n0.167053 0.170608 0.168386 F\n",
"nsites": 9,
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"formula_full": "Na3 S1 O4 F1",
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"formula_anonymous": "ABC3D4",
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"spacegroup": 160
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{
"id": "jvasp-92181",
"created_at": "2022-09-04T14:36:09.330538Z",
"updated_at": "2022-09-04T14:36:09.330553Z",
"structure_string": "Zn3 Cr1 Se4\n1.0\n5.742132 -0.000000 0.000000\n0.000000 5.742132 -0.000000\n0.000000 0.000000 5.742132\nZn Cr Se\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cr\n0.748857 0.748857 0.251142 Se\n0.748857 0.251142 0.748857 Se\n0.251142 0.748857 0.748857 Se\n0.251142 0.251142 0.251142 Se\n",
"nsites": 8,
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"elements": [
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"volume": 189.33003513149208,
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"formula_full": "Zn3 Cr1 Se4",
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"spacegroup": 215
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{
"id": "jvasp-54879",
"created_at": "2022-09-04T14:37:12.183087Z",
"updated_at": "2022-09-04T14:37:12.183112Z",
"structure_string": "Ti2 Cl6\n1.0\n3.100639 -5.370465 0.000000\n3.100639 5.370465 -0.000000\n-0.000000 0.000000 5.684908\nTi Cl\n2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.685871 0.685871 0.250000 Cl\n0.000000 0.685871 0.750000 Cl\n0.314129 0.314129 0.750000 Cl\n0.000000 0.314129 0.250000 Cl\n0.685871 0.000000 0.750000 Cl\n0.314129 0.000000 0.250000 Cl\n",
"nsites": 8,
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"elements": [
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"density": 2.7053294214614687,
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"volume": 189.32873464785118,
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"formula_full": "Ti2 Cl6",
"formula_reduced": "TiCl3",
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},
{
"id": "jvasp-23900",
"created_at": "2022-09-04T14:37:35.963848Z",
"updated_at": "2022-09-04T14:37:35.963878Z",
"structure_string": "Rb2 V2 Cl6\n1.0\n3.622367 -6.274123 -0.000000\n3.622367 6.274123 0.000000\n-0.000000 0.000000 5.206061\nRb V Cl\n2 2 6\ndirect\n0.666667 0.333334 0.750000 Rb\n0.333334 0.666667 0.250000 Rb\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.834123 0.165877 0.250000 Cl\n0.165877 0.331753 0.750000 Cl\n0.668248 0.834124 0.750000 Cl\n0.331753 0.165877 0.250000 Cl\n0.165877 0.834123 0.750000 Cl\n0.834124 0.668248 0.250000 Cl\n",
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"volume": 236.63813036386142,
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"formula_full": "Rb2 V2 Cl6",
"formula_reduced": "RbVCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 194
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{
"id": "jvasp-50937",
"created_at": "2022-09-04T14:35:52.860035Z",
"updated_at": "2022-09-04T14:35:52.860063Z",
"structure_string": "Rb6 Ho2 O6\n1.0\n3.852630 6.081893 0.136631\n-3.852630 6.081893 -0.136631\n-1.413868 0.000000 7.019312\nRb Ho O\n6 2 6\ndirect\n0.360934 0.639065 0.638951 Rb\n0.799384 0.799385 0.500000 Rb\n0.200615 0.200615 0.500000 Rb\n0.259000 0.259000 -0.000000 Rb\n0.741000 0.741000 0.000000 Rb\n0.639065 0.360935 0.361048 Rb\n0.180510 0.819489 0.146340 Ho\n0.819489 0.180511 0.853660 Ho\n0.097841 0.902159 0.837491 O\n0.169111 0.548601 0.268002 O\n0.451399 0.830889 0.268002 O\n0.548601 0.169111 0.731997 O\n0.830889 0.451399 0.731997 O\n0.902158 0.097841 0.162509 O\n",
"nsites": 14,
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"elements": [
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"density": 4.704865855775973,
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"volume": 331.29275616035545,
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"formula_full": "Rb6 Ho2 O6",
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{
"id": "jvasp-36925",
"created_at": "2022-09-04T14:38:00.885623Z",
"updated_at": "2022-09-04T14:38:00.885643Z",
"structure_string": "K2 Cr2 Cl6\n1.0\n6.013288 -0.012148 3.406003\n1.979562 5.678125 3.406003\n-0.017137 -0.012148 6.910875\nK Cr Cl\n2 2 6\ndirect\n0.255644 0.255644 0.255644 K\n0.755644 0.755644 0.755643 K\n0.005709 0.005709 0.005709 Cr\n0.505708 0.505709 0.505708 Cr\n0.255737 0.800138 0.711271 Cl\n0.800138 0.711272 0.255737 Cl\n0.711272 0.255737 0.800137 Cl\n0.211271 0.300138 0.755737 Cl\n0.755738 0.211271 0.300137 Cl\n0.300138 0.755738 0.211271 Cl\n",
"nsites": 10,
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"volume": 236.63152898412523,
"volume_molar": 14.25028375796422,
"formula_full": "K2 Cr2 Cl6",
"formula_reduced": "KCrCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 167
},
{
"id": "jvasp-90438",
"created_at": "2022-09-04T14:35:56.672167Z",
"updated_at": "2022-09-04T14:35:56.672189Z",
"structure_string": "Fe2 Ag2 Se4\n1.0\n4.165790 4.165790 0.000000\n-4.165790 0.000000 5.454261\n4.165790 -4.165790 0.000000\nFe Ag Se\n2 2 4\ndirect\n0.750000 0.500000 0.250000 Fe\n0.500000 0.000000 0.500000 Fe\n0.250000 0.500000 0.750000 Ag\n0.000000 0.000000 0.000000 Ag\n0.125000 0.750000 0.164067 Se\n0.625000 0.750000 0.585933 Se\n0.414067 0.250000 0.875000 Se\n0.835933 0.250000 0.375000 Se\n",
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"formula_full": "Fe2 Ag2 Se4",
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},
{
"id": "jvasp-79012",
"created_at": "2022-09-04T14:36:36.608405Z",
"updated_at": "2022-09-04T14:36:36.608430Z",
"structure_string": "La2 Pd1 Ru1\n1.0\n0.000000 3.617147 3.617147\n3.617147 -0.000000 3.617147\n3.617147 3.617147 -0.000000\nLa Pd Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.499999 0.499999 0.499999 La\n0.250001 0.250001 0.250001 Pd\n0.750001 0.750001 0.750001 Ru\n",
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{
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"created_at": "2022-09-04T14:37:45.218519Z",
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"structure_string": "Mn1 Te1\n1.0\n3.516144 0.000000 2.030047\n1.172048 3.315052 2.030047\n0.000000 -0.000000 4.060093\nMn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500001 Te\n",
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{
"id": "jvasp-40205",
"created_at": "2022-09-04T14:38:34.480449Z",
"updated_at": "2022-09-04T14:38:34.480485Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n-0.000000 0.000000 -7.004564\n-5.990911 0.021717 -3.502282\n-2.002883 5.645930 -3.502282\nCa Sn S\n2 2 6\ndirect\n0.710868 0.219636 0.280329 Ca\n0.210834 0.780363 0.719671 Ca\n0.494394 -0.000000 -0.000000 Sn\n0.994402 0.500000 0.500000 Sn\n0.313664 0.380910 0.119088 S\n0.813662 0.619090 0.880913 S\n0.313209 0.158165 0.688503 S\n0.159877 0.841835 0.311498 S\n0.659879 0.811481 0.341845 S\n0.813205 0.188518 0.658156 S\n",
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