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{
"id": "jvasp-86620",
"created_at": "2022-09-04T14:36:07.417113Z",
"updated_at": "2022-09-04T14:36:07.417147Z",
"structure_string": "Cr2 Ag1 Bi1 O8\n1.0\n4.746238 0.000000 -1.870408\n-0.737095 4.688652 -1.870408\n-0.036164 -0.042294 6.865322\nCr Ag Bi O\n2 1 1 8\ndirect\n0.250001 0.750000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.750001 0.250000 0.500000 Ag\n0.500001 0.500000 -0.000000 Bi\n0.928994 0.543242 0.339678 O\n0.321658 0.207345 0.153182 O\n0.203565 0.071008 0.660322 O\n0.456759 0.589315 0.660322 O\n0.792657 0.168476 0.846818 O\n0.410686 0.796436 0.339678 O\n0.054163 0.678343 0.846818 O\n0.831527 0.945839 0.153182 O\n",
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{
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"structure_string": "Cr4 Ag1 Bi1 O14\n1.0\n6.941190 -0.076288 -2.264289\n-3.675272 5.888829 -2.264290\n0.042864 0.076289 7.301047\nCr Ag Bi O\n4 1 1 14\ndirect\n0.828543 0.368869 0.783179 Cr\n0.045365 0.828544 0.459674 Cr\n0.368869 0.585690 0.540326 Cr\n0.585690 0.045364 0.216821 Cr\n0.432388 0.432387 -0.000000 Ag\n0.008626 0.008626 -0.000000 Bi\n0.299386 0.393835 0.298827 O\n0.393835 0.095009 0.094449 O\n0.616418 0.296910 0.831708 O\n0.784711 0.616418 0.319508 O\n0.296910 0.465202 0.680492 O\n0.465202 0.784712 0.168292 O\n0.098484 0.969903 0.325553 O\n0.644349 0.772931 0.674447 O\n0.095009 0.000560 0.701174 O\n0.969902 0.644349 0.871417 O\n0.727759 0.227759 0.500000 O\n0.227759 0.727759 0.500000 O\n0.772931 0.098484 0.128583 O\n0.000559 0.299386 0.905552 O\n",
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{
"id": "jvasp-56366",
"created_at": "2022-09-04T14:38:31.401816Z",
"updated_at": "2022-09-04T14:38:31.401842Z",
"structure_string": "Ag2 Bi4 Se6 Cl2\n1.0\n0.000000 8.122489 0.004152\n4.143068 0.000000 0.000000\n0.000000 -2.769421 -10.871127\nAg Bi Se Cl\n2 4 6 2\ndirect\n0.049963 0.750000 0.412883 Ag\n0.950038 0.250000 0.587118 Ag\n0.807719 0.250000 0.066736 Bi\n0.192281 0.750000 0.933264 Bi\n0.532387 0.750000 0.341186 Bi\n0.467614 0.250000 0.658814 Bi\n0.797631 0.250000 0.335393 Se\n0.954667 0.250000 0.847814 Se\n0.309390 0.250000 0.410752 Se\n0.690611 0.750000 0.589249 Se\n0.202369 0.750000 0.664607 Se\n0.045333 0.750000 0.152186 Se\n0.406092 0.250000 0.098003 Cl\n0.593908 0.750000 0.901997 Cl\n",
"nsites": 14,
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"elements": [
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"volume": 365.78778986597393,
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"spacegroup": 11
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{
"id": "jvasp-26802",
"created_at": "2022-09-04T14:38:31.825430Z",
"updated_at": "2022-09-04T14:38:31.825460Z",
"structure_string": "Ag2 Bi2 S2 Cl4\n1.0\n4.037148 -0.000000 -0.000000\n-2.018573 6.900347 0.000000\n0.000000 -0.000000 8.730177\nAg Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.287552 0.575102 0.750000 Bi\n0.712450 0.424899 0.250000 Bi\n0.919056 0.838108 0.750000 S\n0.080946 0.161892 0.250000 S\n0.658202 0.316402 0.564365 Cl\n0.341800 0.683599 0.435635 Cl\n0.341800 0.683599 0.064365 Cl\n0.658202 0.316402 0.935635 Cl\n",
"nsites": 10,
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"formula_full": "Ag2 Bi2 S2 Cl4",
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"formula_anonymous": "ABCD2",
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"spacegroup": 63
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{
"id": "jvasp-57817",
"created_at": "2022-09-04T14:38:32.915557Z",
"updated_at": "2022-09-04T14:38:32.915579Z",
"structure_string": "Ag2 Bi4 S6 Cl2\n1.0\n0.000000 7.816090 0.019791\n4.026303 0.000000 0.000000\n0.000000 -2.449080 -10.570288\nAg Bi S Cl\n2 4 6 2\ndirect\n0.941323 0.250000 0.591720 Ag\n0.058677 0.749999 0.408280 Ag\n0.462156 0.250000 0.656699 Bi\n0.537844 0.749999 0.343301 Bi\n0.187169 0.749999 0.925231 Bi\n0.812831 0.250000 0.074770 Bi\n0.956583 0.250000 0.851334 S\n0.683721 0.749999 0.587375 S\n0.316279 0.250000 0.412626 S\n0.043418 0.749999 0.148667 S\n0.199273 0.749999 0.661033 S\n0.800727 0.250000 0.338967 S\n0.406409 0.250000 0.101377 Cl\n0.593592 0.749999 0.898623 Cl\n",
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"volume": 332.451245199278,
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"formula_full": "Ag2 Bi4 S6 Cl2",
"formula_reduced": "AgBi2S3Cl",
"formula_anonymous": "ABC2D3",
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{
"id": "jvasp-29420",
"created_at": "2022-09-04T14:37:58.929987Z",
"updated_at": "2022-09-04T14:37:58.930011Z",
"structure_string": "Ag2 Bi2 S2 Cl4\n1.0\n4.036907 -0.000000 0.000000\n-2.018453 6.900711 -0.000000\n-0.000000 -0.000000 8.729614\nAg Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.287556 0.575110 0.750000 Bi\n0.712446 0.424890 0.250000 Bi\n0.919064 0.838123 0.750000 S\n0.080938 0.161876 0.250000 S\n0.658210 0.316418 0.564365 Cl\n0.341791 0.683582 0.435634 Cl\n0.341791 0.683582 0.064365 Cl\n0.658210 0.316418 0.935634 Cl\n",
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"volume": 243.18547115583945,
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"formula_full": "Ag2 Bi2 S2 Cl4",
"formula_reduced": "AgBiSCl2",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-107625",
"created_at": "2022-09-04T14:36:45.656719Z",
"updated_at": "2022-09-04T14:36:45.656735Z",
"structure_string": "Rb2 Ag1 Bi1 Cl6\n1.0\n6.567906 -0.000000 3.791982\n2.189302 6.192281 3.791982\n-0.000000 -0.000000 7.583965\nRb Ag Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Bi\n0.747838 0.252162 0.252162 Cl\n0.252162 0.252162 0.747837 Cl\n0.252162 0.747838 0.747837 Cl\n0.252162 0.747838 0.252162 Cl\n0.747838 0.252162 0.747837 Cl\n0.747838 0.747838 0.252161 Cl\n",
"nsites": 10,
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"density_atomic": 0.03242097679942202,
"volume": 308.44227988153256,
"volume_molar": 18.574828257819053,
"formula_full": "Rb2 Ag1 Bi1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-107609",
"created_at": "2022-09-04T14:36:59.046074Z",
"updated_at": "2022-09-04T14:36:59.046094Z",
"structure_string": "K2 Ag1 Bi1 Cl6\n1.0\n6.549403 -0.000000 3.781300\n2.183134 6.174837 3.781300\n-0.000000 -0.000000 7.562600\nK Ag Bi Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.747585 0.252415 0.252415 Cl\n0.252415 0.252415 0.747585 Cl\n0.252414 0.747586 0.747585 Cl\n0.252414 0.747586 0.252415 Cl\n0.747585 0.252415 0.747585 Cl\n0.747584 0.747586 0.252415 Cl\n",
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{
"id": "jvasp-86740",
"created_at": "2022-09-04T14:35:43.966408Z",
"updated_at": "2022-09-04T14:35:43.966435Z",
"structure_string": "Ca2 Ag2 Bi2\n1.0\n4.867879 -0.000000 -0.000000\n-2.433939 4.215706 0.000000\n-0.000000 -0.000000 7.831247\nCa Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.021314 Ca\n0.000000 0.000000 0.521314 Ca\n0.333333 0.666668 0.340788 Ag\n0.666667 0.333333 0.840788 Ag\n0.666667 0.333333 0.237569 Bi\n0.333333 0.666668 0.737569 Bi\n",
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{
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"updated_at": "2022-09-04T14:38:06.411772Z",
"structure_string": "Ca2 Ag1 Bi1\n1.0\n-0.000000 3.806573 3.806573\n3.806573 -0.000000 3.806573\n3.806573 3.806573 0.000000\nCa Ag Bi\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250001 0.250001 0.250001 Ag\n0.749999 0.749999 0.749999 Bi\n",
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{
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"created_at": "2022-09-04T14:36:17.180140Z",
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"structure_string": "Ca2 Ag2 Bi2\n1.0\n4.867879 -0.000000 -0.000000\n-2.433939 4.215706 0.000000\n0.000000 -0.000000 7.831247\nCa Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.021314 Ca\n0.000000 0.000000 0.521314 Ca\n0.333333 0.666668 0.340788 Ag\n0.666667 0.333333 0.840788 Ag\n0.666667 0.333333 0.237569 Bi\n0.333333 0.666668 0.737569 Bi\n",
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{
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"created_at": "2022-09-04T14:38:20.051417Z",
"updated_at": "2022-09-04T14:38:20.051442Z",
"structure_string": "Rb2 Ag1 Bi1 Br6\n1.0\n6.901917 0.000000 3.984824\n2.300639 6.507190 3.984824\n-0.000000 -0.000000 7.969648\nRb Ag Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.746631 0.253369 0.253369 Br\n0.253369 0.253369 0.746631 Br\n0.253369 0.746631 0.746630 Br\n0.253369 0.746631 0.253369 Br\n0.746631 0.253369 0.746630 Br\n0.746631 0.746631 0.253368 Br\n",
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],
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]
}