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{
"id": "jvasp-54857",
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"structure_string": "Al10 Mo2\n1.0\n4.788703 -0.004126 7.886826\n2.203749 4.251493 7.886826\n-0.006793 -0.004126 9.226791\nAl Mo\n10 2\ndirect\n0.330519 0.330517 0.330519 Al\n0.750000 0.402674 0.097326 Al\n0.250001 0.597323 0.902676 Al\n0.169482 0.169481 0.169482 Al\n0.597325 0.902674 0.250001 Al\n0.669482 0.669480 0.669483 Al\n0.402676 0.097323 0.750001 Al\n0.830519 0.830516 0.830520 Al\n0.902676 0.249998 0.597326 Al\n0.097325 0.749999 0.402676 Al\n0.500001 0.499999 0.500001 Mo\n0.000000 0.000000 0.000000 Mo\n",
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"structure_string": "Ce1 Si2 Ir3\n1.0\n2.796102 -4.842992 -0.000000\n2.796102 4.842992 0.000000\n0.000000 -0.000000 3.728896\nCe Si Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.666666 0.333333 0.000000 Si\n0.333333 0.666666 0.000000 Si\n0.500000 0.500000 0.500000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n",
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{
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"updated_at": "2022-09-04T14:37:51.990516Z",
"structure_string": "Dy1 B2 Rh2 C1\n1.0\n3.583273 0.000000 -1.242492\n-0.430832 3.557278 -1.242492\n0.009834 0.011097 5.816573\nDy B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.644016 0.644017 0.288033 B\n0.355983 0.355984 0.711967 B\n0.749999 0.250001 0.500000 Rh\n0.250000 0.750001 0.500000 Rh\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
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{
"id": "jvasp-54853",
"created_at": "2022-09-04T14:37:45.755587Z",
"updated_at": "2022-09-04T14:37:45.755606Z",
"structure_string": "Ca4 Al4 Pd4\n1.0\n5.641498 -0.000000 0.000000\n0.000000 5.717527 0.000000\n0.000000 0.000000 7.806414\nCa Al Pd\n4 4 4\ndirect\n0.250000 0.362773 0.599709 Ca\n0.750000 0.637227 0.400291 Ca\n0.750000 0.362773 0.900290 Ca\n0.250000 0.637227 0.099709 Ca\n0.000000 0.106872 0.250000 Al\n0.500000 0.106872 0.250000 Al\n0.500000 0.893128 0.750000 Al\n0.000000 0.893128 0.750000 Al\n0.250000 0.135288 0.972901 Pd\n0.250000 0.864712 0.472901 Pd\n0.750000 0.135288 0.527098 Pd\n0.750000 0.864712 0.027099 Pd\n",
"nsites": 12,
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"elements": [
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"density": 4.576180065002217,
"density_atomic": 0.04765703331898225,
"volume": 251.79913990198557,
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"formula_full": "Ca4 Al4 Pd4",
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"spacegroup": 57
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{
"id": "jvasp-54851",
"created_at": "2022-09-04T14:37:49.006781Z",
"updated_at": "2022-09-04T14:37:49.006814Z",
"structure_string": "Tl1 Pd3\n1.0\n3.955105 0.000000 -1.440552\n-0.524687 3.920149 -1.440552\n-0.495919 -0.566716 4.788173\nTl Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.000001 Pd\n0.250000 0.750000 0.500000 Pd\n0.750001 0.250000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-5485",
"created_at": "2022-09-04T14:35:49.231542Z",
"updated_at": "2022-09-04T14:35:49.231570Z",
"structure_string": "Cd2 I4\n1.0\n2.142630 -3.711143 0.000000\n2.142630 3.711143 0.000000\n0.000000 0.000000 13.750837\nCd I\n2 4\ndirect\n0.666667 0.333333 0.500062 Cd\n0.333333 0.666667 0.000062 Cd\n0.000000 0.000000 0.373856 I\n0.000000 0.000000 0.873857 I\n0.333333 0.666667 0.626082 I\n0.666667 0.333333 0.126081 I\n",
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{
"id": "jvasp-54849",
"created_at": "2022-09-04T14:37:48.421569Z",
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"structure_string": "K2 Sn2 Se4\n1.0\n6.470590 0.208293 -1.802709\n-3.687703 5.320974 -1.802709\n-0.104834 -0.208293 6.716197\nK Sn Se\n2 2 4\ndirect\n0.691718 0.691717 -0.000001 K\n0.191718 0.191718 -0.000000 K\n0.691776 0.191776 0.500000 Sn\n0.191776 0.691776 0.500000 Sn\n0.755357 0.255357 0.127208 Se\n0.128150 0.628149 0.872792 Se\n0.255358 0.128150 0.500000 Se\n0.628150 0.755357 0.500000 Se\n",
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"volume": 231.61588401073823,
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"formula_full": "K2 Sn2 Se4",
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{
"id": "jvasp-54847",
"created_at": "2022-09-04T14:37:36.694097Z",
"updated_at": "2022-09-04T14:37:36.694126Z",
"structure_string": "Pr1 Co2 As2\n1.0\n3.789005 0.000000 -1.392071\n-0.511444 3.754329 -1.392071\n0.052176 0.059766 5.994595\nPr Co As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250002 0.750001 0.500001 Co\n0.750002 0.250001 0.500001 Co\n0.362595 0.362594 0.725187 As\n0.637409 0.637407 0.274815 As\n",
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"density": 7.898584472012077,
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"volume": 85.9046190758053,
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{
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"created_at": "2022-09-04T14:37:42.547635Z",
"updated_at": "2022-09-04T14:37:42.547660Z",
"structure_string": "Th1 Ge2 Os2\n1.0\n4.028981 0.000000 -1.587094\n-0.625186 3.980180 -1.587094\n-0.015006 -0.017547 5.869421\nTh Ge Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.371132 0.371133 0.742268 Ge\n0.628865 0.628866 0.257732 Ge\n0.749999 0.250000 0.500000 Os\n0.249999 0.750000 0.500000 Os\n",
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{
"id": "jvasp-54845",
"created_at": "2022-09-04T14:37:45.375217Z",
"updated_at": "2022-09-04T14:37:45.375236Z",
"structure_string": "Na1 Li2 N1\n1.0\n1.804208 -3.124980 0.000000\n1.804208 3.124980 0.000000\n-0.000000 -0.000000 4.749675\nNa Li N\n1 2 1\ndirect\n0.000000 0.000000 0.499999 Na\n0.333333 0.666667 0.000000 Li\n0.666667 0.333333 0.000000 Li\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
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{
"id": "jvasp-54844",
"created_at": "2022-09-04T14:37:45.128538Z",
"updated_at": "2022-09-04T14:37:45.128547Z",
"structure_string": "Ti1 Si2\n1.0\n3.273079 0.122389 -1.067536\n-0.407191 2.810382 -0.926294\n-0.246868 -0.042245 4.796863\nTi Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.331002 0.330991 0.662006 Si\n0.668998 0.669007 0.337993 Si\n",
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{
"id": "jvasp-54839",
"created_at": "2022-09-04T14:37:44.741479Z",
"updated_at": "2022-09-04T14:37:44.741507Z",
"structure_string": "K2 Mn1 Nb6 Cl18\n1.0\n8.135038 0.001823 5.738915\n2.975666 7.571277 5.738916\n0.002674 0.001823 9.955600\nK Mn Nb Cl\n2 1 6 18\ndirect\n0.278095 0.278095 0.278096 K\n0.721905 0.721904 0.721905 K\n0.000000 0.000000 0.000000 Mn\n0.291562 0.655819 0.410474 Nb\n0.410474 0.291562 0.655820 Nb\n0.655820 0.410474 0.291563 Nb\n0.708438 0.344180 0.589527 Nb\n0.344181 0.589526 0.708438 Nb\n0.589526 0.708438 0.344181 Nb\n0.215496 0.357437 0.929638 Cl\n0.563352 0.422906 0.850464 Cl\n0.848848 0.303745 0.021843 Cl\n0.151153 0.696255 0.978158 Cl\n0.577093 0.149536 0.436648 Cl\n0.642563 0.070362 0.784505 Cl\n0.303745 0.021842 0.848848 Cl\n0.929638 0.215495 0.357438 Cl\n0.422907 0.850464 0.563353 Cl\n0.784505 0.642563 0.070363 Cl\n0.696256 0.978158 0.151153 Cl\n0.436648 0.577093 0.149537 Cl\n0.850464 0.563352 0.422907 Cl\n0.357438 0.929638 0.215496 Cl\n0.978158 0.151152 0.696256 Cl\n0.070362 0.784504 0.642563 Cl\n0.021842 0.848847 0.303745 Cl\n0.149536 0.436648 0.577094 Cl\n",
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