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"structure_string": "Na2 La2 V2 Te2 O12\n1.0\n5.648458 0.000000 0.000000\n0.000000 5.588280 0.000000\n-0.032024 0.000000 7.850578\nLa Na O Te V\n2 2 12 2 2\ndirect\n0.747902 0.750000 0.004356 La\n0.252098 0.250000 0.995644 La\n0.277768 0.250000 0.499171 Na\n0.722232 0.750000 0.500829 Na\n0.671862 0.250000 0.009900 O\n0.994074 0.011712 0.188189 O\n0.994074 0.488288 0.188189 O\n0.525327 0.003198 0.284421 O\n0.525327 0.496802 0.284421 O\n0.866392 0.250000 0.487574 O\n0.133608 0.750000 0.512426 O\n0.474673 0.503198 0.715579 O\n0.474673 0.996802 0.715579 O\n0.005926 0.511712 0.811811 O\n0.005926 0.988288 0.811811 O\n0.328138 0.750000 0.990100 O\n0.757606 0.250000 0.261385 Te\n0.242394 0.750000 0.738615 Te\n0.245091 0.750000 0.262066 V\n0.754909 0.250000 0.737934 V\n",
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{
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"updated_at": "2022-09-04T16:03:14.697531Z",
"structure_string": "Ca4 Ce2 Te2 O12\n1.0\n5.706613 0.000000 0.000000\n0.020189 6.024488 0.000000\n0.025293 0.005655 8.308757\nCa Ce O Te\n4 2 12 2\ndirect\n0.487914 0.551394 0.236249 Ca\n0.019533 0.058809 0.253905 Ca\n0.980467 0.941191 0.746095 Ca\n0.512086 0.448606 0.763751 Ca\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.311382 0.326484 0.060625 O\n0.170091 0.798922 0.089288 O\n0.861630 0.420839 0.240692 O\n0.629206 0.933790 0.285566 O\n0.335543 0.268726 0.421805 O\n0.222695 0.828231 0.444364 O\n0.777305 0.171769 0.555636 O\n0.664457 0.731274 0.578195 O\n0.370794 0.066210 0.714434 O\n0.138370 0.579161 0.759308 O\n0.829909 0.201078 0.910712 O\n0.688618 0.673516 0.939375 O\n0.000000 0.500000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n",
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{
"id": "oqmd-1759116",
"created_at": "2022-09-04T16:03:14.697344Z",
"updated_at": "2022-09-04T16:03:14.697372Z",
"structure_string": "Y4 Tm2 Ni2 O12\n1.0\n5.375513 0.000000 0.000000\n0.000000 5.780641 0.000000\n-5.303993 0.000000 7.676290\nNi O Tm Y\n2 12 2 4\ndirect\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.259217 0.821511 0.054507 O\n0.393618 0.304992 0.072171 O\n0.855638 0.949575 0.230273 O\n0.144362 0.449575 0.269727 O\n0.606382 0.804992 0.427829 O\n0.740783 0.321511 0.445493 O\n0.259217 0.678489 0.554507 O\n0.393618 0.195008 0.572171 O\n0.855638 0.550425 0.730273 O\n0.144362 0.050425 0.769727 O\n0.606382 0.695008 0.927829 O\n0.740783 0.178489 0.945493 O\n0.000000 0.500000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.271526 0.072333 0.248650 Y\n0.728474 0.572333 0.251350 Y\n0.271526 0.427667 0.748650 Y\n0.728474 0.927667 0.751350 Y\n",
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{
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"structure_string": "Nd4 Ni2 W2 O12\n1.0\n5.424988 0.000000 0.000000\n0.000000 5.806408 0.000000\n-5.382045 0.000000 7.752663\nNd Ni O W\n4 2 12 2\ndirect\n0.227501 0.932778 0.248627 Nd\n0.772499 0.432778 0.251373 Nd\n0.227501 0.567222 0.748627 Nd\n0.772499 0.067222 0.751373 Nd\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.854582 0.198861 0.050061 O\n0.739056 0.702117 0.051767 O\n0.646371 0.029721 0.247916 O\n0.353629 0.529721 0.252084 O\n0.260944 0.202117 0.448233 O\n0.145418 0.698861 0.449939 O\n0.854582 0.301139 0.550061 O\n0.739056 0.797883 0.551767 O\n0.646371 0.470279 0.747916 O\n0.353629 0.970279 0.752084 O\n0.260944 0.297883 0.948233 O\n0.145418 0.801139 0.949939 O\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n",
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{
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"created_at": "2022-09-04T16:03:14.691897Z",
"updated_at": "2022-09-04T16:03:14.691931Z",
"structure_string": "Na2 La2 Mg2 Mo2 O12\n1.0\n5.518406 0.000000 0.000000\n0.000000 5.490919 0.000000\n-0.048084 0.000000 7.838783\nLa Mg Mo Na O\n2 2 2 2 12\ndirect\n0.253456 0.250000 0.498448 La\n0.746544 0.750000 0.501552 La\n0.746147 0.250000 0.247204 Mg\n0.253853 0.750000 0.752796 Mg\n0.247207 0.750000 0.227998 Mo\n0.752793 0.250000 0.772002 Mo\n0.235930 0.250000 0.000657 Na\n0.764070 0.750000 0.999343 Na\n0.337747 0.750000 0.005843 O\n0.012464 0.503724 0.215461 O\n0.012464 0.996276 0.215461 O\n0.492561 0.508077 0.300778 O\n0.492561 0.991923 0.300778 O\n0.170777 0.750000 0.495268 O\n0.829223 0.250000 0.504732 O\n0.507439 0.008077 0.699222 O\n0.507439 0.491923 0.699222 O\n0.987536 0.003724 0.784539 O\n0.987536 0.496276 0.784539 O\n0.662253 0.250000 0.994157 O\n",
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{
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"created_at": "2022-09-04T16:03:14.688332Z",
"updated_at": "2022-09-04T16:03:14.688367Z",
"structure_string": "Na2 Tb2 Mg2 W2 O12\n1.0\n5.348277 0.000000 0.000000\n0.000000 5.504777 0.000000\n-0.044565 0.000000 7.801476\nMg Na O Tb W\n2 2 12 2 2\ndirect\n0.250526 0.730473 0.252809 Mg\n0.749474 0.230473 0.747191 Mg\n0.750502 0.689390 0.499014 Na\n0.249498 0.189390 0.500986 Na\n0.851104 0.193652 0.003854 O\n0.465457 0.025700 0.188142 O\n0.556772 0.504458 0.188265 O\n0.056001 0.406066 0.278180 O\n0.926867 0.922068 0.283483 O\n0.673811 0.254056 0.490546 O\n0.326189 0.754056 0.509454 O\n0.073133 0.422068 0.716517 O\n0.943999 0.906066 0.721820 O\n0.443228 0.004458 0.811735 O\n0.534543 0.525700 0.811858 O\n0.148896 0.693652 0.996146 O\n0.264100 0.285601 0.000680 Tb\n0.735900 0.785601 0.999320 Tb\n0.761637 0.224135 0.264329 W\n0.238363 0.724135 0.735671 W\n",
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"created_at": "2022-09-04T16:03:14.686610Z",
"updated_at": "2022-09-04T16:03:14.686642Z",
"structure_string": "Y4 Ti2 Mn2 O12\n1.0\n5.306632 0.000000 0.000000\n0.000000 5.691810 0.000000\n-5.293127 0.000000 7.585414\nMn O Ti Y\n2 12 2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.860838 0.321023 0.058351 O\n0.738588 0.799152 0.059203 O\n0.629018 0.457839 0.246070 O\n0.370982 0.957839 0.253930 O\n0.261412 0.299152 0.440797 O\n0.139162 0.821023 0.441649 O\n0.860838 0.178977 0.558351 O\n0.738588 0.700848 0.559203 O\n0.629018 0.042161 0.746070 O\n0.370982 0.542161 0.753930 O\n0.261412 0.200848 0.940797 O\n0.139162 0.678977 0.941649 O\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.231654 0.575230 0.249717 Y\n0.768346 0.075230 0.250283 Y\n0.231654 0.924770 0.749717 Y\n0.768346 0.424770 0.750283 Y\n",
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"updated_at": "2022-09-04T16:03:14.681165Z",
"structure_string": "Eu4 Zn2 Ir2 O12\n1.0\n5.450765 0.000000 0.000000\n0.000000 5.584894 0.000000\n-5.440931 0.000000 7.745844\nEu Ir O Zn\n4 2 12 2\ndirect\n0.236760 0.552490 0.248928 Eu\n0.763240 0.052490 0.251072 Eu\n0.236760 0.947510 0.748928 Eu\n0.763240 0.447510 0.751072 Eu\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.829296 0.301832 0.041624 O\n0.738916 0.785668 0.043765 O\n0.661096 0.480958 0.243389 O\n0.338904 0.980958 0.256611 O\n0.261084 0.285668 0.456235 O\n0.170704 0.801832 0.458376 O\n0.829296 0.198168 0.541624 O\n0.738916 0.714332 0.543765 O\n0.661096 0.019042 0.743389 O\n0.338904 0.519042 0.756611 O\n0.261084 0.214332 0.956235 O\n0.170704 0.698168 0.958376 O\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n",
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{
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"updated_at": "2022-09-04T16:03:14.678442Z",
"structure_string": "Pr4 Ti2 Mn2 O12\n1.0\n5.494623 0.000000 0.000000\n0.000000 5.760190 0.000000\n-5.467391 0.000000 7.873179\nMn O Pr Ti\n2 12 4 2\ndirect\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.338549 0.310880 0.048235 O\n0.241577 0.786635 0.054534 O\n0.141554 0.467439 0.239771 O\n0.858446 0.967439 0.260229 O\n0.758423 0.286635 0.445466 O\n0.661451 0.810880 0.451765 O\n0.338549 0.189120 0.548235 O\n0.241577 0.713365 0.554534 O\n0.141554 0.032561 0.739771 O\n0.858446 0.532561 0.760229 O\n0.758423 0.213365 0.945466 O\n0.661451 0.689120 0.951765 O\n0.733957 0.559204 0.248688 Pr\n0.266043 0.059204 0.251312 Pr\n0.733957 0.940796 0.748688 Pr\n0.266043 0.440796 0.751312 Pr\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n",
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{
"id": "oqmd-1758890",
"created_at": "2022-09-04T16:03:14.677253Z",
"updated_at": "2022-09-04T16:03:14.677279Z",
"structure_string": "Na2 Tb2 Cu2 W2 O12\n1.0\n5.409593 0.000000 0.000000\n0.000000 5.587401 0.000000\n-0.073602 0.000000 7.604869\nCu Na O Tb W\n2 2 12 2 2\ndirect\n0.242758 0.738198 0.248394 Cu\n0.757242 0.238198 0.751606 Cu\n0.744849 0.686643 0.497648 Na\n0.255151 0.186643 0.502352 Na\n0.143945 0.689832 0.004137 O\n0.567234 0.498174 0.186462 O\n0.468610 0.031782 0.186922 O\n0.058140 0.393256 0.279971 O\n0.914647 0.922864 0.283117 O\n0.324529 0.757545 0.498780 O\n0.675471 0.257545 0.501220 O\n0.085353 0.422864 0.716883 O\n0.941860 0.893256 0.720029 O\n0.531390 0.531782 0.813078 O\n0.432766 0.998174 0.813538 O\n0.856055 0.189832 0.995863 O\n0.266398 0.290756 0.000760 Tb\n0.733602 0.790756 0.999240 Tb\n0.760199 0.226545 0.268375 W\n0.239801 0.726545 0.731625 W\n",
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{
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"created_at": "2022-09-04T16:03:14.661259Z",
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"structure_string": "Nd4 Zn2 Rh2 O12\n1.0\n5.473844 0.000000 0.000000\n0.000000 5.729191 0.000000\n-5.464991 0.000000 7.799776\nNd O Rh Zn\n4 12 2 2\ndirect\n0.767866 0.433065 0.249357 Nd\n0.232134 0.933065 0.250643 Nd\n0.767866 0.066935 0.749357 Nd\n0.232134 0.566935 0.750643 Nd\n0.751504 0.696722 0.052195 O\n0.863959 0.204987 0.053649 O\n0.349793 0.529454 0.247050 O\n0.650207 0.029454 0.252950 O\n0.136041 0.704987 0.446351 O\n0.248496 0.196722 0.447805 O\n0.751504 0.803278 0.552195 O\n0.863959 0.295013 0.553649 O\n0.349793 0.970546 0.747050 O\n0.650207 0.470546 0.752950 O\n0.136041 0.795013 0.946351 O\n0.248496 0.303278 0.947805 O\n0.000000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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"volume_molar": 7.3652713966433865,
"formula_full": "Nd4 Zn2 Rh2 O12",
"formula_reduced": "Nd2ZnRhO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.4501334490272533,
"spacegroup": 14
}
]
}