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{
"id": "jvasp-12489",
"created_at": "2022-09-04T14:38:04.719371Z",
"updated_at": "2022-09-04T14:38:04.719388Z",
"structure_string": "Ba2 Bi1 Sb1 O6\n1.0\n5.287878 -0.015965 3.002172\n1.740369 4.993298 3.002172\n-0.022543 -0.015965 6.080640\nBa Bi Sb O\n2 1 1 6\ndirect\n0.748937 0.748935 0.748935 Ba\n0.251064 0.251063 0.251064 Ba\n0.000000 0.000000 0.000000 Bi\n0.500001 0.499999 0.500000 Sb\n0.271649 0.780730 0.683105 O\n0.780731 0.683105 0.271647 O\n0.683107 0.271647 0.780730 O\n0.728353 0.219269 0.316894 O\n0.316895 0.728352 0.219269 O\n0.219271 0.316894 0.728352 O\n",
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{
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"updated_at": "2022-09-04T14:38:09.782243Z",
"structure_string": "Rb2 In1 As1 Cl6\n1.0\n6.578644 -0.000000 3.798182\n2.192881 6.202405 3.798182\n-0.000000 -0.000000 7.596363\nRb In As Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.764963 0.235037 0.235037 Cl\n0.235037 0.235037 0.764963 Cl\n0.235037 0.764963 0.764963 Cl\n0.235037 0.764963 0.235037 Cl\n0.764963 0.235037 0.764963 Cl\n0.764963 0.764963 0.235037 Cl\n",
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{
"id": "jvasp-109899",
"created_at": "2022-09-04T14:38:09.811996Z",
"updated_at": "2022-09-04T14:38:09.812021Z",
"structure_string": "Rb2 Sc1 Tl1 F6\n1.0\n5.674782 -0.000000 3.276337\n1.891594 5.350236 3.276337\n-0.000000 -0.000000 6.552674\nRb Sc Tl F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Tl\n0.781808 0.218192 0.218192 F\n0.218191 0.218192 0.781808 F\n0.218191 0.781809 0.781808 F\n0.218191 0.781809 0.218192 F\n0.781808 0.218192 0.781808 F\n0.781807 0.781809 0.218193 F\n",
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"density_atomic": 0.050264262662523804,
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"spacegroup": 225
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{
"id": "jvasp-37537",
"created_at": "2022-09-04T14:38:09.651165Z",
"updated_at": "2022-09-04T14:38:09.651199Z",
"structure_string": "Sm4 Mg2 Ir2 O12\n1.0\n0.000000 5.403398 -0.007046\n5.754971 0.000000 0.000000\n0.000000 -5.361674 -7.758351\nSm Mg Ir O\n4 2 2 12\ndirect\n0.268923 0.430788 0.249166 Sm\n0.731079 0.930787 0.250834 Sm\n0.268923 0.069212 0.749166 Sm\n0.731079 0.569212 0.750834 Sm\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 0.000000 Ir\n0.500001 0.000000 0.500000 Ir\n0.145111 0.465814 0.751240 O\n0.854891 0.965814 0.748760 O\n0.365306 0.300121 0.553940 O\n0.246885 0.801976 0.553428 O\n0.753117 0.198024 0.446573 O\n0.365306 0.199879 0.053940 O\n0.145111 0.034186 0.251240 O\n0.854890 0.534186 0.248760 O\n0.634696 0.800121 0.946061 O\n0.246884 0.698023 0.053428 O\n0.634695 0.699878 0.446061 O\n0.753117 0.301976 0.946573 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 8.434080017822785,
"density_atomic": 0.08282458676101247,
"volume": 241.47418999758273,
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"formula_full": "Sm4 Mg2 Ir2 O12",
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{
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"created_at": "2022-09-04T14:38:07.193244Z",
"updated_at": "2022-09-04T14:38:07.193263Z",
"structure_string": "Cd4 Bi2 As2 O12\n1.0\n5.697847 0.000000 0.000000\n0.000000 6.939827 -2.129603\n0.000000 0.169732 7.257244\nCd Bi As O\n4 2 2 12\ndirect\n0.367514 0.593284 0.815882 Cd\n0.367514 0.184117 0.406716 Cd\n0.867514 0.406716 0.184117 Cd\n0.867514 0.815883 0.593284 Cd\n0.374841 0.096866 0.903133 Bi\n0.874842 0.903134 0.096867 Bi\n0.355613 0.665950 0.334050 As\n0.855614 0.334050 0.665950 As\n0.321396 0.519369 0.480631 O\n0.717001 0.434724 0.883134 O\n0.717001 0.116866 0.565276 O\n0.651332 0.703137 0.296864 O\n0.821396 0.480631 0.519369 O\n0.217001 0.883134 0.434724 O\n0.619600 0.153191 0.157992 O\n0.119600 0.846809 0.842008 O\n0.151332 0.296864 0.703136 O\n0.619600 0.842008 0.846809 O\n0.119600 0.157992 0.153191 O\n0.217001 0.565276 0.116866 O\n",
"nsites": 20,
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{
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"created_at": "2022-09-04T14:38:14.903235Z",
"updated_at": "2022-09-04T14:38:14.903245Z",
"structure_string": "Sr4 Ca2 Ir2 O12\n1.0\n0.000000 5.779777 -0.001003\n5.882604 0.000000 0.000000\n0.000000 -5.727903 -8.218441\nSr Ca Ir O\n4 2 2 12\ndirect\n0.240631 0.044279 0.250279 Sr\n0.759370 0.544278 0.249721 Sr\n0.240631 0.455721 0.750279 Sr\n0.759370 0.955721 0.749721 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 -0.000000 Ca\n0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.232035 0.808890 0.460427 O\n0.767965 0.308890 0.039573 O\n0.857131 0.771330 0.043775 O\n0.142870 0.271330 0.456224 O\n0.142870 0.228670 0.956224 O\n0.691552 0.521137 0.769725 O\n0.308449 0.478862 0.230275 O\n0.691552 0.978862 0.269725 O\n0.232035 0.691109 0.960427 O\n0.308449 0.021138 0.730275 O\n0.857131 0.728670 0.543775 O\n0.767966 0.191110 0.539573 O\n",
"nsites": 20,
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],
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"density": 5.983881570700023,
"density_atomic": 0.07156609721335873,
"volume": 279.4619348931989,
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"formula_full": "Sr4 Ca2 Ir2 O12",
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"spacegroup": 14
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{
"id": "jvasp-88148",
"created_at": "2022-09-04T14:38:11.107346Z",
"updated_at": "2022-09-04T14:38:11.107376Z",
"structure_string": "Sr4 U2 Mn2 O12\n1.0\n5.903257 0.000000 0.000000\n0.000000 5.850793 -0.004684\n0.000000 0.011784 8.169107\nSr U Mn O\n4 2 2 12\ndirect\n0.536613 0.506136 0.249230 Sr\n0.963388 0.006136 0.749230 Sr\n0.463388 0.493863 0.750770 Sr\n0.036612 0.993863 0.250771 Sr\n0.000000 0.499999 0.500000 U\n0.500000 0.000000 0.000000 U\n0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.979644 0.423045 0.245418 O\n0.708517 0.287452 0.960544 O\n0.791483 0.787452 0.460544 O\n0.213347 0.209072 0.958818 O\n0.713347 0.290927 0.541183 O\n0.291483 0.712547 0.039457 O\n0.520357 0.923045 0.745419 O\n0.020357 0.576954 0.754583 O\n0.786654 0.790927 0.041183 O\n0.208517 0.212547 0.539457 O\n0.286653 0.709072 0.458818 O\n0.479644 0.076954 0.254582 O\n",
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],
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"volume": 282.15094551455246,
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"formula_full": "Sr4 U2 Mn2 O12",
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"spacegroup": 14
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{
"id": "jvasp-58437",
"created_at": "2022-09-04T14:38:18.295006Z",
"updated_at": "2022-09-04T14:38:18.295021Z",
"structure_string": "K2 Yb2 C4 O12\n1.0\n6.277678 -0.178528 -1.437436\n-1.230122 6.158565 -1.437436\n0.064673 0.076621 6.841780\nYb K C O\n2 2 4 12\ndirect\n0.592562 0.407438 0.249999 Yb\n0.407438 0.592561 0.749999 Yb\n0.130465 0.869535 0.249999 K\n0.869535 0.130464 0.749999 K\n0.139950 0.391195 0.244498 C\n0.391195 0.139949 0.744498 C\n0.860050 0.608804 0.755501 C\n0.608805 0.860049 0.255501 C\n0.057720 0.588012 0.787961 O\n0.588013 0.057720 0.287961 O\n0.942280 0.411987 0.212038 O\n0.241224 0.197888 0.625206 O\n0.758776 0.802111 0.374792 O\n0.197888 0.241224 0.125206 O\n0.527799 0.290111 0.894847 O\n0.709889 0.472200 0.605151 O\n0.472201 0.709888 0.105151 O\n0.290111 0.527799 0.394847 O\n0.411987 0.942279 0.712038 O\n0.802112 0.758775 0.874792 O\n",
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"formula_full": "K2 Yb2 C4 O12",
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{
"id": "jvasp-23432",
"created_at": "2022-09-04T14:38:14.631998Z",
"updated_at": "2022-09-04T14:38:14.632026Z",
"structure_string": "Mg8 Bi4 P4 O24\n1.0\n5.327559 -0.000000 0.000000\n-0.000000 7.852421 0.000000\n0.000000 0.000000 11.939782\nMg Bi P O\n8 4 4 24\ndirect\n0.750000 0.810629 0.599115 Mg\n0.750000 0.296996 0.093230 Mg\n0.750000 0.203004 0.593230 Mg\n0.250000 0.310630 0.900885 Mg\n0.250000 0.796996 0.406770 Mg\n0.250000 0.703004 0.906770 Mg\n0.250000 0.189370 0.400885 Mg\n0.750000 0.689370 0.099115 Mg\n0.250000 0.489293 0.599047 Bi\n0.250000 0.010707 0.099047 Bi\n0.750000 0.510707 0.400952 Bi\n0.750000 0.989293 0.900952 Bi\n0.750000 0.979147 0.301740 P\n0.250000 0.479147 0.198260 P\n0.250000 0.020853 0.698260 P\n0.750000 0.520853 0.801740 P\n0.750000 0.378591 0.713506 O\n0.992832 0.993239 0.374956 O\n0.492832 0.006761 0.625044 O\n0.498104 0.174166 0.994170 O\n0.750000 0.698807 0.747351 O\n0.250000 0.198807 0.752649 O\n0.507168 0.993239 0.374956 O\n0.001896 0.174166 0.994170 O\n0.007168 0.493239 0.125044 O\n0.998104 0.674166 0.505830 O\n0.998104 0.825834 0.005830 O\n0.007168 0.006761 0.625044 O\n0.250000 0.621409 0.286494 O\n0.250000 0.301193 0.252649 O\n0.750000 0.121409 0.213506 O\n0.750000 0.801193 0.247351 O\n0.250000 0.878591 0.786494 O\n0.992832 0.506761 0.874956 O\n0.507168 0.506761 0.874956 O\n0.001896 0.325834 0.494170 O\n0.501897 0.674166 0.505830 O\n0.498104 0.325834 0.494170 O\n0.492832 0.493239 0.125044 O\n0.501897 0.825834 0.005830 O\n",
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{
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"updated_at": "2022-09-04T14:38:06.255124Z",
"structure_string": "Na4 Sn2 Te2 O12\n1.0\n0.000000 5.459253 0.001028\n5.544474 0.000000 0.000000\n0.000000 -5.459594 -7.785571\nNa Sn Te O\n4 2 2 12\ndirect\n0.240649 0.956288 0.250408 Na\n0.759351 0.456289 0.249592 Na\n0.240649 0.543711 0.750408 Na\n0.759351 0.043711 0.749592 Na\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.663225 0.029550 0.258786 O\n0.336775 0.529549 0.241213 O\n0.138952 0.789359 0.949387 O\n0.861049 0.289359 0.550613 O\n0.861048 0.210641 0.050613 O\n0.756751 0.694344 0.048126 O\n0.243249 0.305655 0.951873 O\n0.756751 0.805655 0.548126 O\n0.663225 0.470450 0.758786 O\n0.243249 0.194344 0.451874 O\n0.138951 0.710640 0.449387 O\n0.336775 0.970450 0.741213 O\n",
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{
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"created_at": "2022-09-04T14:38:15.443323Z",
"updated_at": "2022-09-04T14:38:15.443351Z",
"structure_string": "Li1 Cr1 Co2 O6\n1.0\n5.972534 -0.057197 -1.632549\n-0.653792 2.761341 -0.020430\n-0.062232 0.030464 5.902020\nLi Cr Co O\n1 1 2 6\ndirect\n0.333326 0.671872 0.833294 Li\n0.333324 0.748226 0.333332 Cr\n0.667244 0.307824 0.657159 Co\n0.999434 0.973888 0.009520 Co\n0.020753 0.481542 0.227808 O\n0.337723 0.206099 0.564072 O\n0.328947 0.201900 0.102612 O\n0.677676 0.812581 0.873562 O\n0.645903 0.794315 0.438864 O\n0.989003 0.468403 0.793111 O\n",
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{
"id": "jvasp-108113",
"created_at": "2022-09-04T14:38:06.091049Z",
"updated_at": "2022-09-04T14:38:06.091076Z",
"structure_string": "K1 Na1 Nb2 O6\n1.0\n3.995990 -0.000000 0.000000\n0.000000 4.082462 0.026512\n0.000000 -0.001212 8.065318\nK Na Nb O\n1 1 2 6\ndirect\n0.500000 0.483589 0.241661 K\n0.500000 0.534952 0.749352 Na\n-0.000000 0.999713 0.993174 Nb\n-0.000000 0.996460 0.498461 Nb\n0.500000 0.953704 0.485448 O\n0.500000 0.956987 0.976909 O\n-0.000000 0.965096 0.232975 O\n-0.000000 0.948720 0.735096 O\n-0.000000 0.460068 0.489817 O\n-0.000000 0.463107 0.978306 O\n",
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}