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{
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{
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"formula_full": "Ca6 Sn6 S18",
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{
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"structure_string": "Ca4 Eu4 Mn4 Co4 O24\n1.0\n9.563772 0.000000 -0.000000\n0.000000 9.563772 0.000000\n-0.000000 0.000000 8.885298\nCa Eu Mn Co O\n4 4 4 4 24\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 -0.000000 0.000000 Eu\n0.000000 0.500000 0.500000 Eu\n0.500000 -0.000000 0.500000 Eu\n0.500000 0.500000 0.500000 Eu\n0.251729 0.748271 0.251445 Mn\n0.251729 0.251729 0.748555 Mn\n0.748271 0.748271 0.748555 Mn\n0.748271 0.251729 0.251445 Mn\n0.748477 0.251523 0.749934 Co\n0.748477 0.748477 0.250066 Co\n0.251523 0.251523 0.250066 Co\n0.251523 0.748477 0.749934 Co\n0.247360 0.752640 0.000316 O\n0.247360 0.247360 0.999684 O\n0.752640 0.752640 0.999684 O\n0.752640 0.247360 0.000316 O\n0.251031 0.500769 0.253186 O\n0.748969 0.499231 0.253186 O\n0.251031 0.499231 0.746814 O\n0.748969 0.500769 0.746814 O\n0.499231 0.748969 0.253186 O\n0.500769 0.748969 0.746814 O\n0.500769 0.251031 0.253186 O\n0.499231 0.251031 0.746814 O\n0.252192 0.747808 0.499701 O\n0.252192 0.252192 0.500299 O\n0.747808 0.747808 0.500299 O\n0.747808 0.252192 0.499701 O\n0.249009 0.998879 0.249364 O\n0.750991 0.001121 0.249364 O\n0.249009 0.001121 0.750636 O\n0.750991 0.998879 0.750636 O\n0.001121 0.750991 0.249364 O\n0.998879 0.750991 0.750636 O\n0.998879 0.249009 0.249364 O\n0.001121 0.249009 0.750636 O\n",
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{
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"structure_string": "Sc1 V1 Os2\n1.0\n-4.612445 5.572602 7.904717\n4.612445 -5.572602 7.904717\n4.612445 5.572602 -7.904717\nSc V Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 V\n0.000000 0.262884 0.262884 Os\n0.000000 0.737116 0.737116 Os\n",
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{
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"created_at": "2022-09-04T14:42:39.288231Z",
"structure_string": "Ba6 H12 N12 O30\n1.0\n3.587855 -6.214346 0.000000\n3.587855 6.214346 0.000000\n0.000000 0.000000 18.225683\nBa H N O\n6 12 12 30\ndirect\n0.857033 0.431587 0.998008 Ba\n0.425446 0.857033 0.164674 Ba\n0.431587 0.574554 0.831341 Ba\n0.568413 0.425446 0.331341 Ba\n0.574554 0.142967 0.664674 Ba\n0.142967 0.568413 0.498008 Ba\n0.027029 0.170269 0.378499 H\n0.856760 0.027029 0.545165 H\n0.170269 0.143240 0.211832 H\n0.829731 0.856760 0.711832 H\n0.143240 0.972971 0.045165 H\n0.972971 0.829731 0.878499 H\n0.145877 0.103840 0.435269 H\n0.042037 0.145877 0.601936 H\n0.103840 0.957963 0.268603 H\n0.896160 0.042037 0.768603 H\n0.957963 0.854123 0.101936 H\n0.854123 0.896160 0.935269 H\n0.036782 0.246695 0.145303 N\n0.790087 0.036782 0.311969 N\n0.246695 0.209913 0.978636 N\n0.753305 0.790087 0.478636 N\n0.209913 0.963218 0.811969 N\n0.963218 0.753305 0.645303 N\n0.124860 0.570478 0.325063 N\n0.554382 0.124860 0.491729 N\n0.570478 0.445618 0.158396 N\n0.429522 0.554382 0.658396 N\n0.445618 0.875140 0.991729 N\n0.875140 0.429522 0.825063 N\n0.105312 0.437874 0.123324 O\n0.667438 0.105312 0.289990 O\n0.437874 0.332562 0.956657 O\n0.562126 0.667438 0.456657 O\n0.332562 0.894688 0.789990 O\n0.894688 0.562126 0.623324 O\n0.868273 0.105007 0.112894 O\n0.763266 0.868273 0.279560 O\n0.105007 0.236734 0.946227 O\n0.894993 0.763266 0.446227 O\n0.236734 0.131727 0.779560 O\n0.131727 0.894993 0.612894 O\n0.297003 0.596057 0.295537 O\n0.700946 0.297003 0.462204 O\n0.596057 0.299054 0.128871 O\n0.403943 0.700946 0.628871 O\n0.299054 0.702997 0.962204 O\n0.702997 0.403943 0.795537 O\n0.010875 0.617570 0.284778 O\n0.393305 0.010875 0.451444 O\n0.617570 0.606695 0.118111 O\n0.382430 0.393305 0.618111 O\n0.606695 0.989125 0.951444 O\n0.989125 0.382430 0.784778 O\n0.154547 0.231000 0.411727 O\n0.923547 0.154547 0.578394 O\n0.231000 0.076453 0.245060 O\n0.769000 0.923547 0.745060 O\n0.076453 0.845453 0.078394 O\n0.845453 0.769000 0.911727 O\n",
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{
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"created_at": "2022-09-04T14:39:59.056906Z",
"structure_string": "Si4 P12 Ru4 O44\n1.0\n13.519064 -4.200047 0.000000\n13.519064 4.200047 0.000000\n12.214211 0.000000 7.156713\nSi P Ru O\n4 12 4 44\ndirect\n0.039764 0.039764 0.039764 Si\n0.539764 0.539764 0.539764 Si\n0.460236 0.460236 0.460236 Si\n0.960236 0.960236 0.960236 Si\n0.490425 0.787723 0.081445 P\n0.418555 0.712277 0.009575 P\n0.918555 0.509575 0.212277 P\n0.509575 0.212277 0.918555 P\n0.212277 0.918555 0.509575 P\n0.581445 0.287723 0.990425 P\n0.287723 0.990425 0.581445 P\n0.081445 0.490425 0.787723 P\n0.712277 0.009575 0.418555 P\n0.787723 0.081445 0.490425 P\n0.990425 0.581445 0.287723 P\n0.009575 0.418555 0.712277 P\n0.341107 0.341107 0.341107 Ru\n0.158893 0.158893 0.158893 Ru\n0.841107 0.841107 0.841107 Ru\n0.658893 0.658893 0.658893 Ru\n0.544171 0.488686 0.848235 O\n0.781020 0.825989 0.460270 O\n0.218980 0.174011 0.539730 O\n0.037745 0.462255 0.250000 O\n0.597548 0.350713 0.710629 O\n0.488686 0.848235 0.544171 O\n0.460270 0.781020 0.825989 O\n0.325989 0.281020 0.960270 O\n0.210629 0.850713 0.097548 O\n0.511314 0.151765 0.455829 O\n0.750000 0.962255 0.537745 O\n0.174011 0.539730 0.218980 O\n0.955829 0.651765 0.011314 O\n0.825989 0.460270 0.781020 O\n0.348235 0.988686 0.044171 O\n0.649287 0.289371 0.402452 O\n0.149287 0.902452 0.789371 O\n0.250000 0.037745 0.462255 O\n0.462255 0.250000 0.037745 O\n0.960270 0.325989 0.281020 O\n0.962255 0.537745 0.750000 O\n0.044171 0.348235 0.988686 O\n0.011314 0.955829 0.651765 O\n0.350713 0.710629 0.597548 O\n0.539730 0.218980 0.174011 O\n0.151765 0.455829 0.511314 O\n0.500000 0.500000 0.500000 O\n0.902452 0.789371 0.149287 O\n0.718980 0.039730 0.674011 O\n0.789371 0.149287 0.902452 O\n0.455829 0.511314 0.151765 O\n0.039730 0.674011 0.718980 O\n0.710629 0.597548 0.350713 O\n0.097548 0.210629 0.850713 O\n0.289371 0.402452 0.649287 O\n0.651765 0.011314 0.955829 O\n0.537745 0.750000 0.962255 O\n0.674011 0.718980 0.039730 O\n0.281020 0.960270 0.325989 O\n0.850713 0.097548 0.210629 O\n0.848235 0.544171 0.488686 O\n0.402452 0.649287 0.289371 O\n0.988686 0.044171 0.348235 O\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Bi4 C12 O36\n1.0\n8.472574 0.000000 0.000000\n0.000000 9.598289 0.000000\n0.000000 1.542599 9.994146\nBi C O\n4 12 36\ndirect\n0.092687 0.815518 0.912888 Bi\n0.592687 0.184482 0.587112 Bi\n0.907313 0.184482 0.087112 Bi\n0.407313 0.815518 0.412888 Bi\n0.974910 0.514130 0.071163 C\n0.474910 0.485870 0.428837 C\n0.025090 0.485870 0.928837 C\n0.525090 0.514130 0.571163 C\n0.380471 0.919435 0.726105 C\n0.880471 0.080565 0.773895 C\n0.619529 0.080565 0.273895 C\n0.119529 0.919435 0.226106 C\n0.382495 0.027748 0.825731 C\n0.882495 0.972252 0.674269 C\n0.617505 0.972252 0.174269 C\n0.117505 0.027748 0.325731 C\n0.984180 0.638914 0.095169 O\n0.484180 0.361086 0.404831 O\n0.015820 0.361086 0.904831 O\n0.515820 0.638914 0.595169 O\n0.927138 0.409334 0.153965 O\n0.427138 0.590666 0.346035 O\n0.072862 0.590666 0.846035 O\n0.572862 0.409334 0.653965 O\n0.288677 0.814869 0.747131 O\n0.788677 0.185131 0.752869 O\n0.711323 0.185131 0.252869 O\n0.211323 0.814869 0.247131 O\n0.469916 0.946063 0.624379 O\n0.969916 0.053937 0.875621 O\n0.530084 0.053937 0.375621 O\n0.030084 0.946063 0.124379 O\n0.458504 0.142330 0.790357 O\n0.958504 0.857670 0.709643 O\n0.541496 0.857670 0.209643 O\n0.041496 0.142330 0.290357 O\n0.305606 0.997248 0.932090 O\n0.805606 0.002752 0.567910 O\n0.694394 0.002752 0.067910 O\n0.194394 0.997248 0.432090 O\n0.652549 0.774428 0.912042 O\n0.152549 0.225572 0.587958 O\n0.347451 0.225572 0.087958 O\n0.847451 0.774428 0.412042 O\n0.451033 0.652062 0.005503 O\n0.951033 0.347938 0.494497 O\n0.548967 0.347938 0.994497 O\n0.048967 0.652062 0.505503 O\n0.099418 0.340735 0.519871 O\n0.599418 0.659265 0.980129 O\n0.900582 0.659265 0.480129 O\n0.400582 0.340735 0.019871 O\n",
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