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{
"id": "jvasp-10189",
"created_at": "2022-09-04T14:37:03.279437Z",
"updated_at": "2022-09-04T14:37:03.279463Z",
"structure_string": "K4 Cu4 O4\n1.0\n5.069267 0.000000 2.085535\n2.534634 6.586732 1.042767\n0.028597 0.000000 7.134140\nK Cu O\n4 4 4\ndirect\n0.250008 0.188726 0.811273 K\n0.250008 0.811273 0.188727 K\n0.938719 0.811273 0.811273 K\n0.561265 0.188726 0.188726 K\n0.890791 0.500000 0.218418 Cu\n0.609210 0.781581 0.500000 Cu\n0.609210 0.500000 0.781581 Cu\n0.890791 0.218418 0.499999 Cu\n0.470073 0.779908 0.779908 O\n0.750021 0.220091 0.779908 O\n0.750020 0.779908 0.220091 O\n0.029889 0.220091 0.220092 O\n",
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{
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"structure_string": "Ga2 Cu2 Cl8\n1.0\n5.302701 0.000000 -0.000000\n0.000000 5.302701 -0.000000\n0.000000 0.000000 10.343601\nGa Cu Cl\n2 2 8\ndirect\n0.500000 0.000000 0.750000 Ga\n0.000000 0.500000 0.250000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.263549 0.750961 0.627571 Cl\n0.750961 0.736451 0.372429 Cl\n0.249038 0.263549 0.372429 Cl\n0.736451 0.750961 0.872429 Cl\n0.263549 0.249038 0.872429 Cl\n0.736451 0.249038 0.627571 Cl\n0.750961 0.263549 0.127571 Cl\n0.249038 0.736451 0.127571 Cl\n",
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{
"id": "jvasp-15808",
"created_at": "2022-09-04T14:36:57.140921Z",
"updated_at": "2022-09-04T14:36:57.140940Z",
"structure_string": "Sr1 Cd2 Sb2\n1.0\n2.388294 -4.136647 0.000000\n2.388294 4.136647 -0.000000\n-0.000000 -0.000000 7.830924\nSr Cd Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.366781 Cd\n0.666666 0.333332 0.633219 Cd\n0.333332 0.666666 0.752158 Sb\n0.666666 0.333332 0.247842 Sb\n",
"nsites": 5,
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"elements": [
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"volume": 154.7316848019944,
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"spacegroup": 164
},
{
"id": "jvasp-14273",
"created_at": "2022-09-04T14:37:03.796827Z",
"updated_at": "2022-09-04T14:37:03.796854Z",
"structure_string": "Ti1 Cd1 Hg2\n1.0\n4.449802 0.000000 0.000000\n-0.000000 4.449802 0.000000\n-0.000000 0.000000 4.110486\nTi Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500001 Hg\n0.000000 0.500000 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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],
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},
{
"id": "jvasp-102569",
"created_at": "2022-09-04T14:36:50.328224Z",
"updated_at": "2022-09-04T14:36:50.328254Z",
"structure_string": "Tl3 Ag1\n1.0\n4.777660 -0.000000 0.000000\n0.000000 4.777660 0.000000\n0.000000 -0.000000 4.777660\nTl Ag\n3 1\ndirect\n-0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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},
{
"id": "jvasp-105061",
"created_at": "2022-09-04T14:36:49.843980Z",
"updated_at": "2022-09-04T14:36:49.843999Z",
"structure_string": "Rb2 As1 Au1 Br6\n1.0\n6.657760 -0.000000 3.843859\n2.219253 6.276996 3.843859\n-0.000000 -0.000000 7.687719\nRb As Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.753582 0.246418 0.246418 Br\n0.246418 0.246418 0.753582 Br\n0.246418 0.753582 0.753582 Br\n0.246418 0.753582 0.246418 Br\n0.753582 0.246418 0.753582 Br\n0.753581 0.753582 0.246418 Br\n",
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"density_atomic": 0.031125942570444955,
"volume": 321.2754112543827,
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"formula_full": "Rb2 As1 Au1 Br6",
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{
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"created_at": "2022-09-04T14:36:48.693055Z",
"updated_at": "2022-09-04T14:36:48.693075Z",
"structure_string": "K2 Al1 In1 I6\n1.0\n7.312754 -0.000000 4.222020\n2.437585 6.894531 4.222020\n-0.000000 -0.000000 8.444041\nK Al In I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500000 In\n0.767428 0.232571 0.232572 I\n0.232571 0.232571 0.767429 I\n0.232571 0.767429 0.767429 I\n0.232571 0.767429 0.232572 I\n0.767428 0.232571 0.767429 I\n0.767428 0.767429 0.232572 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.8279766912445754,
"density_atomic": 0.02348897003746982,
"volume": 425.7317363872451,
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"formula_full": "K2 Al1 In1 I6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-56825",
"created_at": "2022-09-04T14:36:50.376393Z",
"updated_at": "2022-09-04T14:36:50.376415Z",
"structure_string": "Rb2 Hg2 Pd1 Br8\n1.0\n6.684631 0.022477 1.935016\n2.861186 6.041390 1.935016\n-0.066775 -0.042418 10.236648\nRb Hg Pd Br\n2 2 1 8\ndirect\n0.399050 0.399050 0.828077 Rb\n0.600950 0.600950 0.171924 Rb\n0.133010 0.133010 0.602040 Hg\n0.866990 0.866990 0.397961 Hg\n0.000000 0.000000 0.000000 Pd\n0.353263 0.353263 0.497171 Br\n0.894303 0.379084 0.866517 Br\n0.088242 0.088242 0.303692 Br\n0.911759 0.911759 0.696309 Br\n0.646737 0.646737 0.502830 Br\n0.105696 0.620916 0.133484 Br\n0.620916 0.105696 0.133484 Br\n0.379084 0.894304 0.866517 Br\n",
"nsites": 13,
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"elements": [
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"density": 5.287629048457458,
"density_atomic": 0.03141350595941488,
"volume": 413.83473773336635,
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{
"id": "jvasp-2868",
"created_at": "2022-09-04T14:37:03.842549Z",
"updated_at": "2022-09-04T14:37:03.842566Z",
"structure_string": "Rb2 Na2 S2\n1.0\n4.676524 0.000000 0.000000\n0.000000 4.676524 0.000000\n0.000000 0.000000 7.562735\nRb Na S\n2 2 2\ndirect\n0.000000 0.500000 0.351720 Rb\n0.500000 0.000000 0.648279 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.207056 S\n0.000000 0.500000 0.792944 S\n",
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},
{
"id": "jvasp-107145",
"created_at": "2022-09-04T14:36:57.146242Z",
"updated_at": "2022-09-04T14:36:57.146263Z",
"structure_string": "Rb3 Ce1 Cl6\n1.0\n7.061277 -0.000000 4.076830\n2.353759 6.657436 4.076830\n-0.000000 -0.000000 8.153660\nRb Ce Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ce\n0.763278 0.236723 0.236722 Cl\n0.236723 0.236723 0.763277 Cl\n0.236723 0.763278 0.763277 Cl\n0.236723 0.763278 0.236722 Cl\n0.763278 0.236723 0.763277 Cl\n0.763278 0.763278 0.236722 Cl\n",
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{
"id": "jvasp-106446",
"created_at": "2022-09-04T14:36:56.020185Z",
"updated_at": "2022-09-04T14:36:56.020206Z",
"structure_string": "Rb2 In1 Au1 I6\n1.0\n7.233788 -0.000000 4.176429\n2.411263 6.820081 4.176429\n-0.000000 -0.000000 8.352859\nRb In Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Au\n0.747207 0.252794 0.252794 I\n0.252794 0.252794 0.747207 I\n0.252793 0.747206 0.747207 I\n0.252793 0.747206 0.252794 I\n0.747207 0.252794 0.747207 I\n0.747206 0.747206 0.252794 I\n",
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{
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"created_at": "2022-09-04T14:37:03.064899Z",
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"structure_string": "Ba2 In2 Ga2\n1.0\n4.907658 -0.003450 4.148741\n2.253910 4.359473 4.148741\n0.006800 0.004136 8.365912\nBa In Ga\n2 2 2\ndirect\n0.750032 0.750032 0.695262 Ba\n0.249968 0.249968 0.304738 Ba\n0.575815 0.575815 0.255703 In\n0.424185 0.424185 0.744296 In\n0.063924 0.063924 0.087927 Ga\n0.936076 0.936076 0.912072 Ga\n",
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}