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{
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{
"id": "jvasp-1256",
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{
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{
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"structure_string": "Pb4 C4 O12\n1.0\n8.545417 -0.000000 0.000000\n0.000000 5.223941 0.003301\n-0.000000 -0.004180 6.081245\nPb C O\n4 4 12\ndirect\n0.416990 0.250036 0.244485 Pb\n0.916990 0.749963 0.255514 Pb\n0.583010 0.749963 0.755514 Pb\n0.083010 0.250036 0.744485 Pb\n0.762158 0.249976 0.090000 C\n0.262158 0.750024 0.409999 C\n0.237842 0.750024 0.909999 C\n0.737842 0.249976 0.590000 C\n0.185630 0.965620 0.408344 O\n0.685630 0.034380 0.091655 O\n0.814386 0.465566 0.591706 O\n0.314386 0.534434 0.908292 O\n0.185615 0.534434 0.408293 O\n0.414207 0.750006 0.399352 O\n0.585794 0.249994 0.600647 O\n0.085794 0.750006 0.899352 O\n0.314370 0.965620 0.908344 O\n0.914207 0.249994 0.100647 O\n0.685615 0.465566 0.091707 O\n0.814371 0.034380 0.591655 O\n",
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"formula_full": "Pb4 C4 O12",
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{
"id": "jvasp-114147",
"created_at": "2022-09-04T14:38:40.092704Z",
"updated_at": "2022-09-04T14:38:40.092719Z",
"structure_string": "Pb1 C1 O3\n1.0\n3.647108 0.000000 0.000000\n-0.000000 3.647108 0.000000\n-0.000000 -0.000000 3.647108\nPb C O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Pb1 C1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-32164",
"created_at": "2022-09-04T14:37:47.780530Z",
"updated_at": "2022-09-04T14:37:47.780557Z",
"structure_string": "Pb4 C4 O12\n1.0\n5.229115 0.000000 0.000000\n-0.000000 6.080136 0.000000\n0.000000 0.000000 8.559078\nPb C O\n4 4 12\ndirect\n0.749999 0.744580 0.416707 Pb\n0.749999 0.244580 0.083293 Pb\n0.250000 0.755421 0.916707 Pb\n0.250000 0.255420 0.583293 Pb\n0.250000 0.910585 0.261397 C\n0.749999 0.589416 0.761398 C\n0.250000 0.410585 0.238603 C\n0.749999 0.089415 0.738603 C\n0.964958 0.591188 0.685104 O\n0.035041 0.908813 0.185104 O\n0.535041 0.091187 0.814896 O\n0.749999 0.599411 0.912895 O\n0.749999 0.099411 0.587106 O\n0.250000 0.900590 0.412895 O\n0.535041 0.591188 0.685104 O\n0.035041 0.408813 0.314896 O\n0.964958 0.091187 0.814896 O\n0.464958 0.908813 0.185104 O\n0.464958 0.408813 0.314896 O\n0.250000 0.400590 0.087105 O\n",
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{
"id": "jvasp-55509",
"created_at": "2022-09-04T14:36:56.815123Z",
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"structure_string": "Pb4 C4 O12\n1.0\n5.229113 -0.000000 0.000000\n0.000000 6.079996 0.000000\n0.000000 0.000000 8.558502\nPb C O\n4 4 12\ndirect\n0.250000 0.755420 0.083281 Pb\n0.750000 0.244580 0.916719 Pb\n0.250000 0.255420 0.416719 Pb\n0.750000 0.744581 0.583281 Pb\n0.250000 0.910604 0.738614 C\n0.750000 0.089397 0.261386 C\n0.250000 0.410604 0.761386 C\n0.750000 0.589397 0.238614 C\n0.035046 0.408812 0.685083 O\n0.535046 0.591188 0.314917 O\n0.250000 0.900652 0.587106 O\n0.750000 0.099348 0.412894 O\n0.250000 0.400652 0.912894 O\n0.964953 0.591188 0.314917 O\n0.535046 0.091188 0.185083 O\n0.035046 0.908813 0.814917 O\n0.964953 0.091188 0.185083 O\n0.464953 0.408812 0.685083 O\n0.750000 0.599349 0.087106 O\n0.464953 0.908813 0.814917 O\n",
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"formula_full": "Pb4 C4 O12",
"formula_reduced": "PbCO3",
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{
"id": "jvasp-12450",
"created_at": "2022-09-04T14:37:20.144715Z",
"updated_at": "2022-09-04T14:37:20.144732Z",
"structure_string": "Pb2 C4 O8\n1.0\n-5.548317 0.036103 -0.006426\n2.291771 5.215189 -0.017979\n-0.188723 -2.459804 -6.371017\nPb C O\n2 4 8\ndirect\n0.268145 0.088287 0.257166 Pb\n0.731855 0.911714 0.742835 Pb\n0.123484 0.621812 0.494418 C\n0.876517 0.378189 0.505583 C\n0.354180 0.457024 0.955686 C\n0.645820 0.542977 0.044315 C\n0.878304 0.143299 0.433000 O\n0.121696 0.856702 0.567001 O\n0.308704 0.604590 0.873323 O\n0.691296 0.395411 0.126678 O\n0.181188 0.240540 0.974944 O\n0.818813 0.759461 0.025057 O\n0.683766 0.424979 0.585479 O\n0.316235 0.575022 0.414522 O\n",
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"formula_anonymous": "AB2C4",
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"spacegroup": 2
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{
"id": "jvasp-114146",
"created_at": "2022-09-04T14:38:40.410327Z",
"updated_at": "2022-09-04T14:38:40.410347Z",
"structure_string": "Pb1 C1 O2\n1.0\n4.202093 0.000000 0.000000\n0.000000 4.202093 0.000000\n0.000000 0.000000 4.090159\nPb C O\n1 1 2\ndirect\n0.500000 0.500000 0.673120 Pb\n0.000000 0.000000 0.935615 C\n0.000000 0.000000 0.224043 O\n0.500000 0.500000 0.177223 O\n",
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},
{
"id": "jvasp-114148",
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"structure_string": "Pb1 C1 O1\n1.0\n4.190419 -0.000000 0.000000\n-2.095209 3.629009 -0.000000\n-0.000000 0.000000 3.219243\nPb C O\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Pb\n0.000000 0.000000 0.000000 C\n0.333334 0.666667 0.000000 O\n",
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},
{
"id": "jvasp-29759",
"created_at": "2022-09-04T14:37:08.597941Z",
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"structure_string": "Pb4 C4 N8\n1.0\n3.838556 0.000000 0.000000\n0.000000 5.587220 0.000000\n0.000000 0.000000 11.927296\nPb C N\n4 4 8\ndirect\n0.471336 0.390862 0.636734 Pb\n0.971336 0.109138 0.136734 Pb\n0.971336 0.609138 0.363266 Pb\n0.471336 0.890862 0.863267 Pb\n0.971220 0.383274 0.897426 C\n0.471219 0.616726 0.102574 C\n0.971220 0.883274 0.602575 C\n0.471219 0.116726 0.397426 C\n0.471214 0.821279 0.060794 N\n0.971214 0.678721 0.560794 N\n0.471234 0.921685 0.350706 N\n0.971235 0.578315 0.850706 N\n0.471234 0.421685 0.149294 N\n0.471214 0.321279 0.439206 N\n0.971214 0.178721 0.939206 N\n0.971235 0.078315 0.649294 N\n",
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"formula_full": "Pb4 C4 N8",
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{
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{
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