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{
"id": "jvasp-119031",
"created_at": "2022-09-04T14:38:32.957610Z",
"updated_at": "2022-09-04T14:38:32.957645Z",
"structure_string": "Zn2 Si2 Ag4 S8\n1.0\n6.589301 0.000000 0.000000\n-0.000000 5.050998 4.052081\n-0.000000 0.032740 10.203405\nZn Si Ag S\n2 2 4 8\ndirect\n0.686190 0.598741 0.679744 Zn\n0.313810 0.598741 0.179744 Zn\n0.816372 0.355685 0.425846 Si\n0.183627 0.355685 0.925846 Si\n0.679102 0.087708 0.174371 Ag\n0.320898 0.087708 0.674371 Ag\n0.848634 0.859051 0.919004 Ag\n0.151366 0.859051 0.419004 Ag\n0.872855 0.469327 0.915862 S\n0.127145 0.469327 0.415862 S\n0.682519 0.265631 0.648498 S\n0.317481 0.265631 0.148498 S\n0.800610 0.011480 0.438535 S\n0.199390 0.011480 0.938535 S\n0.660907 0.675720 0.200092 S\n0.339093 0.675720 0.700092 S\n",
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{
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"structure_string": "Nb2 Pb2 S4\n1.0\n1.696570 -2.938545 0.000000\n1.696570 2.938545 -0.000000\n-0.000000 0.000000 17.955612\nNb Pb S\n2 2 4\ndirect\n0.666667 0.333333 0.250000 Nb\n0.333333 0.666667 0.750000 Nb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.836676 S\n0.000000 0.000000 0.336676 S\n0.000000 0.000000 0.663324 S\n0.000000 0.000000 0.163324 S\n",
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{
"id": "jvasp-57731",
"created_at": "2022-09-04T14:38:32.955815Z",
"updated_at": "2022-09-04T14:38:32.955831Z",
"structure_string": "Sm8 Sb6\n1.0\n7.645432 -0.000000 -2.703068\n-3.822716 6.621138 -2.703068\n0.000000 0.000000 8.109205\nSm Sb\n8 6\ndirect\n0.357251 0.500000 -0.000000 Sm\n0.642749 0.642749 0.642749 Sm\n0.500000 0.000000 0.357251 Sm\n-0.000000 0.357251 0.500000 Sm\n0.500000 0.000000 0.857251 Sm\n-0.000000 0.857251 0.500000 Sm\n0.857251 0.500000 -0.000000 Sm\n0.142749 0.142749 0.142749 Sm\n0.749999 0.875000 0.125000 Sb\n0.625000 0.375000 0.250000 Sb\n0.875000 0.125000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.375000 0.250000 0.625000 Sb\n0.250000 0.625000 0.375000 Sb\n",
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"formula_full": "Sm8 Sb6",
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"spacegroup": 220
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{
"id": "jvasp-54941",
"created_at": "2022-09-04T14:38:32.953772Z",
"updated_at": "2022-09-04T14:38:32.953788Z",
"structure_string": "Ti4 Ga8\n1.0\n3.876743 0.000000 -0.617051\n-0.098214 3.875499 -0.617051\n0.012063 0.012372 12.562496\nTi Ga\n4 8\ndirect\n0.200747 0.450747 0.901495 Ti\n0.049252 0.299252 0.598505 Ti\n0.950747 0.700748 0.401495 Ti\n0.799252 0.549253 0.098505 Ti\n0.463997 0.213997 0.427995 Ga\n0.536002 0.786002 0.572005 Ga\n0.286002 0.036002 0.072005 Ga\n0.713997 0.963997 0.927996 Ga\n0.125572 0.875572 0.751144 Ga\n0.375572 0.625572 0.251144 Ga\n0.874427 0.124428 0.248857 Ga\n0.624427 0.374427 0.748857 Ga\n",
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{
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"created_at": "2022-09-04T14:38:32.952163Z",
"updated_at": "2022-09-04T14:38:32.952174Z",
"structure_string": "Sm1 Ni2 P2\n1.0\n3.678987 0.000000 -1.415329\n-0.544485 3.638472 -1.415329\n0.005171 0.006002 5.502661\nSm Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750001 0.250000 0.500000 Ni\n0.250001 0.749999 0.500000 Ni\n0.373810 0.373809 0.747619 P\n0.626191 0.626190 0.252380 P\n",
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{
"id": "jvasp-21106",
"created_at": "2022-09-04T14:38:32.948873Z",
"updated_at": "2022-09-04T14:38:32.948892Z",
"structure_string": "Y3 B3 Pt6\n1.0\n2.673220 -4.630153 -0.000000\n2.673220 4.630153 -0.000000\n0.000000 0.000000 7.998545\nY B Pt\n3 3 6\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.166667 Y\n0.500000 0.500000 0.833334 Y\n0.000000 0.500000 0.666667 B\n0.500000 0.000000 0.000000 B\n0.500000 0.500000 0.333333 B\n0.305908 0.152954 0.166667 Pt\n0.152954 0.305908 0.500000 Pt\n0.847045 0.152955 0.833334 Pt\n0.847046 0.694092 0.500000 Pt\n0.152955 0.847045 0.833334 Pt\n0.694092 0.847046 0.166667 Pt\n",
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"density_atomic": 0.06060524538674284,
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{
"id": "jvasp-119030",
"created_at": "2022-09-04T14:38:32.948373Z",
"updated_at": "2022-09-04T14:38:32.948395Z",
"structure_string": "Na6 Np2 O12\n1.0\n5.449156 -0.032323 1.841900\n2.440198 4.872349 1.841900\n-0.533326 -0.327189 10.528091\nNa Np O\n6 2 12\ndirect\n0.739825 0.240042 0.455221 Na\n0.240042 0.739826 -0.044779 Na\n0.132750 0.632922 0.276355 Na\n0.996434 0.496536 0.685709 Na\n0.632921 0.132750 0.776355 Na\n0.496536 0.996435 0.185709 Na\n0.386196 -0.113620 0.516096 Np\n-0.113620 0.386197 0.016096 Np\n0.039354 0.903753 0.624457 O\n0.386102 0.671120 0.399195 O\n0.107759 0.403481 0.124467 O\n-0.113848 0.718298 0.899217 O\n0.403480 0.107759 0.624467 O\n0.607286 0.539679 0.624569 O\n0.539678 0.607287 0.124569 O\n0.218353 0.171168 0.899136 O\n0.671120 0.386103 0.899195 O\n0.171167 0.218353 0.399136 O\n0.718298 -0.113847 0.399217 O\n0.903753 0.039355 0.124457 O\n",
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{
"id": "jvasp-11077",
"created_at": "2022-09-04T14:38:32.945843Z",
"updated_at": "2022-09-04T14:38:32.945862Z",
"structure_string": "Tb4 Cu4 Se8\n1.0\n0.000000 6.612928 0.011383\n7.331068 0.000000 0.000000\n0.000000 -0.762748 -7.049703\nTb Cu Se\n4 4 8\ndirect\n0.804168 0.542417 0.700555 Tb\n0.195832 0.042417 0.799444 Tb\n0.195833 0.457583 0.299445 Tb\n0.804168 0.957583 0.200556 Tb\n0.574517 0.341538 0.044701 Cu\n0.425483 0.658462 0.955299 Cu\n0.574516 0.158462 0.544701 Cu\n0.425484 0.841539 0.455299 Cu\n0.070790 0.775203 0.498285 Se\n0.070790 0.724798 0.998285 Se\n0.929210 0.275202 0.001715 Se\n0.929210 0.224798 0.501715 Se\n0.399009 0.388651 0.715482 Se\n0.600990 0.888651 0.784518 Se\n0.600991 0.611349 0.284518 Se\n0.399010 0.111349 0.215482 Se\n",
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{
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"created_at": "2022-09-04T14:38:32.943273Z",
"updated_at": "2022-09-04T14:38:32.943308Z",
"structure_string": "Rb8 I4 O4\n1.0\n5.632991 -0.000000 0.000000\n0.000000 7.964819 0.000000\n0.000000 -0.000000 11.787385\nRb I O\n8 4 4\ndirect\n0.250000 0.646714 0.939782 Rb\n0.250000 0.146714 0.560219 Rb\n0.750000 0.353286 0.060219 Rb\n0.750000 0.853286 0.439782 Rb\n0.250000 0.586268 0.283516 Rb\n0.250000 0.086268 0.216484 Rb\n0.750000 0.413733 0.716484 Rb\n0.750000 0.913733 0.783517 Rb\n0.250000 0.675783 0.614868 I\n0.250000 0.175783 0.885132 I\n0.750000 0.324217 0.385132 I\n0.750000 0.824217 0.114868 I\n0.250000 0.888988 0.394269 O\n0.250000 0.388987 0.105731 O\n0.750000 0.111013 0.605732 O\n0.750000 0.611013 0.894269 O\n",
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{
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"created_at": "2022-09-04T14:38:32.939119Z",
"updated_at": "2022-09-04T14:38:32.939151Z",
"structure_string": "Tl4 P4 Pb4 S16\n1.0\n6.614424 0.000000 0.000000\n0.000000 8.675909 0.000000\n0.000000 0.000000 12.496355\nTl P Pb S\n4 4 4 16\ndirect\n0.750000 0.624803 0.393805 Tl\n0.250000 0.375197 0.606195 Tl\n0.250000 0.124803 0.106195 Tl\n0.750000 0.875197 0.893805 Tl\n0.250000 0.873399 0.346998 P\n0.750000 0.126601 0.653003 P\n0.750000 0.373399 0.153003 P\n0.250000 0.626601 0.846998 P\n0.250000 0.607594 0.129838 Pb\n0.750000 0.392406 0.870163 Pb\n0.750000 0.107594 0.370162 Pb\n0.250000 0.892406 0.629838 Pb\n0.498427 0.863811 0.247929 S\n0.998426 0.136189 0.752072 S\n0.498427 0.636189 0.747929 S\n0.998426 0.363811 0.252071 S\n0.501573 0.136189 0.752072 S\n0.001573 0.863811 0.247929 S\n0.250000 0.421959 0.931848 S\n0.750000 0.314037 0.551567 S\n0.750000 0.921960 0.568152 S\n0.250000 0.078041 0.431848 S\n0.250000 0.814037 0.948434 S\n0.750000 0.185963 0.051566 S\n0.001573 0.636189 0.747929 S\n0.250000 0.685963 0.448434 S\n0.750000 0.578041 0.068152 S\n0.501573 0.363811 0.252071 S\n",
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{
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"structure_string": "Sr6 Sn2 N1 F1\n1.0\n-0.000000 5.207956 5.207956\n5.207956 0.000000 5.207956\n5.207956 5.207956 -0.000000\nSr Sn N F\n6 2 1 1\ndirect\n0.242398 0.757602 0.757602 Sr\n0.242398 0.757602 0.242398 Sr\n0.757602 0.242398 0.757602 Sr\n0.757602 0.757602 0.242398 Sr\n0.242398 0.242398 0.757602 Sr\n0.757602 0.242398 0.242398 Sr\n0.250000 0.250000 0.250000 Sn\n0.750001 0.750001 0.750001 Sn\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:38:32.938588Z",
"updated_at": "2022-09-04T14:38:32.938622Z",
"structure_string": "Dy2 P2 O8\n1.0\n5.525154 0.012121 -1.596901\n-3.120943 4.559297 -1.596901\n-0.006374 -0.012121 5.751294\nDy P O\n2 2 8\ndirect\n0.125001 0.875001 0.250000 Dy\n0.875000 0.125000 0.750000 Dy\n0.375001 0.625001 0.750000 P\n0.625000 0.375000 0.250000 P\n0.784445 0.359066 0.074621 O\n0.709825 0.784446 0.925379 O\n0.359067 0.784446 0.574621 O\n0.784446 0.709825 0.425379 O\n0.290176 0.215555 0.074621 O\n0.215556 0.640935 0.925379 O\n0.215556 0.290176 0.574621 O\n0.640934 0.215555 0.425379 O\n",
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]
}