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{
"id": "jvasp-119938",
"created_at": "2022-09-04T14:38:51.986678Z",
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"structure_string": "Ba1 C1 O1\n1.0\n3.777816 -0.000000 -0.000000\n0.000000 3.777816 -0.000000\n0.000000 0.000000 6.696678\nBa C O\n1 1 1\ndirect\n0.000000 0.000000 0.380814 Ba\n0.000000 0.000000 0.795868 C\n0.000000 0.000000 -0.027568 O\n",
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{
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"structure_string": "K4 Si2 As4\n1.0\n5.892831 0.000000 -2.510670\n-1.283723 6.144994 -3.013044\n-0.008131 0.050074 8.151825\nK Si As\n4 2 4\ndirect\n0.856346 0.018339 0.712693 K\n0.356347 0.694353 0.712694 K\n0.643653 0.305646 0.287307 K\n0.143654 0.981660 0.287307 K\n0.250000 0.500000 0.000000 Si\n0.750000 0.500000 0.000000 Si\n0.602379 0.772262 0.204759 As\n0.102379 0.432496 0.204759 As\n0.897621 0.567503 0.795242 As\n0.397621 0.227737 0.795242 As\n",
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"structure_string": "Mo2 S4\n1.0\n3.189778 -0.000000 -0.000000\n-1.594889 2.762429 0.000000\n0.000000 0.000000 21.004769\nMo S\n2 4\ndirect\n0.666667 0.333333 0.447490 Mo\n0.333333 0.666667 0.150565 Mo\n0.333333 0.666667 0.522043 S\n0.666667 0.333333 0.225185 S\n0.333333 0.666667 0.372870 S\n0.666667 0.333333 0.076012 S\n",
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{
"id": "jvasp-102094",
"created_at": "2022-09-04T14:36:39.938716Z",
"updated_at": "2022-09-04T14:36:39.938736Z",
"structure_string": "Rb3 Tb1 Cl6\n1.0\n6.935284 -0.000000 4.004089\n2.311761 6.538649 4.004089\n-0.000000 -0.000000 8.008177\nTb Rb Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.767857 0.232142 0.232143 Cl\n0.232142 0.232142 0.767858 Cl\n0.232142 0.767858 0.767858 Cl\n0.232142 0.767858 0.232142 Cl\n0.767857 0.232142 0.767859 Cl\n0.767857 0.767858 0.232143 Cl\n",
"nsites": 10,
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"spacegroup": 225
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{
"id": "jvasp-91525",
"created_at": "2022-09-04T14:37:51.567853Z",
"updated_at": "2022-09-04T14:37:51.567875Z",
"structure_string": "Ba1 Mg4 Si3\n1.0\n4.625458 0.000000 0.000000\n0.000000 4.625458 0.000000\n0.000000 0.000000 8.616795\nBa Mg Si\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.682197 Mg\n0.000000 0.500000 0.682197 Mg\n0.500000 0.000000 0.317803 Mg\n0.000000 0.500000 0.317803 Mg\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.856647 Si\n0.500000 0.500000 0.143353 Si\n",
"nsites": 8,
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"elements": [
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"density": 2.8715536424236126,
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{
"id": "jvasp-57226",
"created_at": "2022-09-04T14:37:12.132959Z",
"updated_at": "2022-09-04T14:37:12.132984Z",
"structure_string": "Cr2 O6\n1.0\n0.000000 4.772452 0.000579\n5.760360 0.000000 0.000000\n0.000000 -2.384584 -4.207474\nCr O\n2 6\ndirect\n0.405071 0.500000 0.796016 Cr\n0.609033 0.000000 0.203987 Cr\n0.293441 0.000000 0.235710 O\n0.914387 0.000000 0.551966 O\n0.362519 0.500000 0.448001 O\n0.057810 0.500000 0.764387 O\n0.619869 0.249994 -0.000036 O\n0.619869 0.750006 -0.000036 O\n",
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"volume": 115.6598895962967,
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"formula_full": "Cr2 O6",
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"spacegroup": 40
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{
"id": "jvasp-94390",
"created_at": "2022-09-04T14:36:21.086933Z",
"updated_at": "2022-09-04T14:36:21.086953Z",
"structure_string": "Y2 Mg4\n1.0\n3.359978 0.000000 -0.000000\n-1.679988 2.909826 -0.000000\n-0.000000 0.000000 16.269155\nY Mg\n2 4\ndirect\n0.666667 0.333333 0.172580 Y\n0.666667 0.333333 0.827419 Y\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.343592 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.656407 Mg\n",
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{
"id": "jvasp-88031",
"created_at": "2022-09-04T14:35:59.421087Z",
"updated_at": "2022-09-04T14:35:59.421106Z",
"structure_string": "Cr2 O6\n1.0\n4.774903 0.000000 0.000000\n-2.387451 4.205092 0.000000\n0.000000 0.000000 5.760675\nCr O\n2 6\ndirect\n0.563683 0.795857 0.250000 Cr\n0.767825 0.204142 0.749999 Cr\n0.878945 0.763864 0.250000 O\n0.115081 0.236135 0.749999 O\n0.553068 0.000000 0.000000 O\n0.553068 0.000000 0.500000 O\n0.810260 0.552194 0.749999 O\n0.258066 0.447806 0.250000 O\n",
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"elements": [
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"volume": 115.66805416082185,
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"formula_full": "Cr2 O6",
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},
{
"id": "jvasp-106201",
"created_at": "2022-09-04T14:38:15.720483Z",
"updated_at": "2022-09-04T14:38:15.720502Z",
"structure_string": "K2 Li1 Dy1 Cl6\n1.0\n6.253708 0.000000 3.610580\n2.084569 5.896052 3.610580\n0.000000 0.000000 7.221159\nK Li Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.744650 0.255350 0.255350 Cl\n0.255351 0.255350 0.744650 Cl\n0.255351 0.744649 0.744650 Cl\n0.255351 0.744649 0.255351 Cl\n0.744650 0.255350 0.744649 Cl\n0.744650 0.744649 0.255351 Cl\n",
"nsites": 10,
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"density_atomic": 0.037557284851353234,
"volume": 266.25992905447447,
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-94406",
"created_at": "2022-09-04T14:36:14.553891Z",
"updated_at": "2022-09-04T14:36:14.553917Z",
"structure_string": "Mg5 Sb1\n1.0\n5.558547 -0.000000 0.000000\n-2.779273 4.813843 -0.000000\n-0.000000 0.000000 5.258962\nMg Sb\n5 1\ndirect\n0.000000 0.663317 0.000000 Mg\n0.663317 0.000000 0.000000 Mg\n0.336683 0.336683 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.000000 0.000000 0.500000 Sb\n",
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},
{
"id": "jvasp-93533",
"created_at": "2022-09-04T14:36:15.980900Z",
"updated_at": "2022-09-04T14:36:15.980934Z",
"structure_string": "Mg5 Cd1\n1.0\n3.213769 -0.000000 0.000000\n-1.606885 2.783206 0.000000\n-0.000000 -0.000000 15.128786\nMg Cd\n5 1\ndirect\n0.000000 0.000000 0.839680 Mg\n0.333335 0.666668 0.670328 Mg\n0.000000 0.000000 0.500000 Mg\n0.333335 0.666668 0.329673 Mg\n0.000000 0.000000 0.160320 Mg\n0.333335 0.666668 0.000000 Cd\n",
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{
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"created_at": "2022-09-04T14:38:13.025919Z",
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"structure_string": "Na4 V4 O12\n1.0\n5.752507 0.039581 1.436037\n1.581515 6.904497 0.831429\n0.055948 0.048150 7.131556\nNa V O\n4 4 12\ndirect\n0.249033 0.713590 0.286949 Na\n0.749033 0.286949 0.713590 Na\n0.249034 0.086272 0.914267 Na\n0.749034 0.914267 0.086272 Na\n0.264689 0.617099 0.798243 V\n0.233369 0.202301 0.383440 V\n0.733369 0.383440 0.202301 V\n0.764689 0.798242 0.617099 V\n0.452402 0.347939 0.358961 O\n0.952403 0.358960 0.347940 O\n0.545654 0.652604 0.641576 O\n0.334267 0.025554 0.228927 O\n0.834267 0.228927 0.025554 O\n0.163795 0.771614 0.974987 O\n0.663796 0.974987 0.771614 O\n0.327346 0.391309 0.894748 O\n0.827347 0.894748 0.391309 O\n0.045654 0.641576 0.652604 O\n0.670718 0.609231 0.105795 O\n0.170717 0.105795 0.609232 O\n",
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}