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{
"id": "jvasp-11120",
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"structure_string": "Rb1 Sc5 Te8\n1.0\n4.080435 0.000000 -0.792757\n-0.482663 9.928109 -2.484337\n-0.003080 0.017489 10.881824\nRb Sc Te\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.205149 0.845367 0.410295 Sc\n0.500001 0.500000 -0.000000 Sc\n0.844196 0.522567 0.688388 Sc\n0.155806 0.477434 0.311611 Sc\n0.794853 0.154633 0.589704 Sc\n0.925428 0.333013 0.850853 Te\n0.074574 0.666987 0.149146 Te\n0.584756 0.313462 0.169508 Te\n0.415246 0.686538 0.830491 Te\n0.663675 0.999237 0.327346 Te\n0.336327 0.000763 0.672653 Te\n0.737997 0.659313 0.475991 Te\n0.262005 0.340687 0.524008 Te\n",
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{
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"structure_string": "Ni3 Ag1\n1.0\n3.352404 -0.004154 -2.997034\n-0.673626 3.284031 -2.997034\n0.003393 0.004154 4.496756\nNi Ag\n3 1\ndirect\n0.749998 0.250000 0.500000 Ni\n0.249998 0.750000 0.500000 Ni\n0.499999 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ag\n",
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"structure_string": "Na2 Tl1 Cu1 Br6\n1.0\n6.599524 0.000000 3.810237\n2.199841 6.222091 3.810237\n-0.000000 -0.000000 7.620474\nNa Tl Cu Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\n0.737239 0.262760 0.262761 Br\n0.262760 0.262760 0.737240 Br\n0.262760 0.737240 0.737240 Br\n0.262760 0.737240 0.262761 Br\n0.737239 0.262760 0.737240 Br\n0.737239 0.737240 0.262761 Br\n",
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{
"id": "jvasp-111204",
"created_at": "2022-09-04T14:38:43.547308Z",
"updated_at": "2022-09-04T14:38:43.547328Z",
"structure_string": "K3 Sc1 F6\n1.0\n5.491239 -0.000000 3.170368\n1.830413 5.177190 3.170368\n-0.000000 -0.000000 6.340737\nK Sc F\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Sc\n0.775103 0.224897 0.224898 F\n0.224897 0.224897 0.775103 F\n0.224897 0.775103 0.775104 F\n0.224897 0.775103 0.224898 F\n0.775103 0.224897 0.775103 F\n0.775102 0.775103 0.224898 F\n",
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{
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"created_at": "2022-09-04T14:38:49.002203Z",
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"structure_string": "Na2 Cu1 Bi1 Br6\n1.0\n6.675761 -0.000000 3.854253\n2.225254 6.293968 3.854253\n-0.000000 0.000000 7.708505\nNa Cu Bi Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.738420 0.261580 0.261580 Br\n0.261580 0.261580 0.738420 Br\n0.261580 0.738420 0.738420 Br\n0.261580 0.738420 0.261580 Br\n0.738420 0.261580 0.738420 Br\n0.738419 0.738420 0.261580 Br\n",
"nsites": 10,
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{
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"structure_string": "K2 Tl1 In1 Br6\n1.0\n7.053072 -0.000000 4.072093\n2.351024 6.649700 4.072093\n-0.000000 -0.000000 8.144186\nK Tl In Br\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 Tl\n0.500000 0.500000 0.500000 In\n0.734068 0.265932 0.265932 Br\n0.265932 0.265932 0.734068 Br\n0.265932 0.734068 0.734068 Br\n0.265932 0.734068 0.265932 Br\n0.734068 0.265932 0.734068 Br\n0.734067 0.734068 0.265932 Br\n",
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"structure_string": "K2 Sc1 Hg1 Cl6\n1.0\n6.517481 -0.000000 3.762869\n2.172494 6.144740 3.762869\n-0.000000 -0.000000 7.525739\nK Sc Hg Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.767142 0.232858 0.232858 Cl\n0.232858 0.232858 0.767143 Cl\n0.232857 0.767142 0.767143 Cl\n0.232857 0.767142 0.232858 Cl\n0.767142 0.232858 0.767143 Cl\n0.767142 0.767142 0.232858 Cl\n",
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"volume": 301.3924977937102,
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"formula_full": "K2 Sc1 Hg1 Cl6",
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{
"id": "jvasp-111211",
"created_at": "2022-09-04T14:38:49.125647Z",
"updated_at": "2022-09-04T14:38:49.125669Z",
"structure_string": "K2 Y1 Cu1 I6\n1.0\n7.149476 -0.000000 4.127752\n2.383159 6.740591 4.127752\n-0.000000 -0.000000 8.255504\nK Y Cu I\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Y\n0.000000 0.000000 0.000000 Cu\n0.756624 0.243376 0.243376 I\n0.243377 0.243376 0.756623 I\n0.243377 0.756623 0.756623 I\n0.243377 0.756623 0.243376 I\n0.756624 0.243376 0.756623 I\n0.756624 0.756623 0.243376 I\n",
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{
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"created_at": "2022-09-04T14:38:48.910425Z",
"updated_at": "2022-09-04T14:38:48.910458Z",
"structure_string": "K2 Ga1 Ag1 I6\n1.0\n7.078445 -0.000000 4.086742\n2.359482 6.673622 4.086742\n-0.000000 -0.000000 8.173485\nK Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Ag\n0.754203 0.245798 0.245797 I\n0.245798 0.245798 0.754201 I\n0.245798 0.754202 0.754201 I\n0.245798 0.754202 0.245798 I\n0.754203 0.245798 0.754201 I\n0.754202 0.754202 0.245797 I\n",
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{
"id": "jvasp-111219",
"created_at": "2022-09-04T14:38:49.033128Z",
"updated_at": "2022-09-04T14:38:49.033146Z",
"structure_string": "Rb2 Cu1 Bi1 Br6\n1.0\n6.721847 -0.000000 3.880860\n2.240616 6.337418 3.880860\n0.000000 -0.000000 7.761721\nRb Cu Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.738830 0.261170 0.261170 Br\n0.261171 0.261170 0.738829 Br\n0.261171 0.738830 0.738829 Br\n0.261171 0.738830 0.261170 Br\n0.738830 0.261170 0.738829 Br\n0.738830 0.738830 0.261170 Br\n",
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{
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"created_at": "2022-09-04T14:38:14.122766Z",
"updated_at": "2022-09-04T14:38:14.122792Z",
"structure_string": "Rb2 U2 Ag2 Se6\n1.0\n4.224023 0.000000 0.000000\n-2.112011 7.477188 -0.000000\n0.000000 0.000000 10.849419\nRb U Ag Se\n2 2 2 6\ndirect\n0.253611 0.507222 0.250000 Rb\n0.746389 0.492779 0.750000 Rb\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.456088 0.912177 0.750000 Ag\n0.543912 0.087824 0.250000 Ag\n0.372587 0.745174 0.539287 Se\n0.627413 0.254826 0.460713 Se\n0.627413 0.254826 0.039287 Se\n0.065306 0.130611 0.750000 Se\n0.934694 0.869389 0.250000 Se\n0.372587 0.745174 0.960713 Se\n",
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{
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"created_at": "2022-09-04T14:38:51.308547Z",
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"structure_string": "Na3 Sb1 Br6\n1.0\n6.844539 -0.000000 3.951696\n2.281513 6.453093 3.951696\n-0.000000 -0.000000 7.903393\nNa Sb Br\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.750686 0.249314 0.249315 Br\n0.249314 0.249314 0.750686 Br\n0.249314 0.750685 0.750686 Br\n0.249314 0.750685 0.249315 Br\n0.750686 0.249314 0.750686 Br\n0.750686 0.750685 0.249315 Br\n",
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}