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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1297",
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"results": [
{
"id": "jvasp-113150",
"created_at": "2022-09-04T14:38:45.950718Z",
"updated_at": "2022-09-04T14:38:45.950759Z",
"structure_string": "Li4 V6 O12\n1.0\n2.844508 -0.006268 0.543179\n1.306463 9.733113 0.982512\n0.012202 0.031535 7.658430\nLi V O\n4 6 12\ndirect\n0.993530 0.996973 0.016182 Li\n0.993604 0.496938 0.516174 Li\n0.673104 0.003021 0.650539 Li\n0.673075 0.503057 0.150487 Li\n0.991901 0.259795 0.756566 V\n0.674761 0.240193 0.410209 V\n0.674843 0.740201 0.910104 V\n0.333390 0.750010 0.583217 V\n0.333289 0.249993 0.083422 V\n0.991825 0.759803 0.256463 V\n0.156518 0.640070 0.046744 O\n0.156466 0.140065 0.546851 O\n0.834565 0.362359 0.968671 O\n0.834591 0.862409 0.468528 O\n0.832125 0.637656 0.697976 O\n0.494631 0.637669 0.372877 O\n0.171966 0.362326 0.293785 O\n0.172083 0.862312 0.793646 O\n0.494663 0.137677 0.873014 O\n0.510193 0.359929 0.619923 O\n0.832052 0.137603 0.198132 O\n0.510153 0.859931 0.119822 O\n",
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"formula_full": "Li4 V6 O12",
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{
"id": "jvasp-10165",
"created_at": "2022-09-04T14:37:14.350326Z",
"updated_at": "2022-09-04T14:37:14.350340Z",
"structure_string": "Mg2 Bi4 O8\n1.0\n3.394785 -0.000123 -0.000244\n-1.697146 6.489274 -0.039858\n-1.696940 -2.635635 9.637795\nMg Bi O\n2 4 8\ndirect\n0.490218 0.733389 0.239100 Mg\n0.490255 0.233549 0.739020 Mg\n0.692202 0.296949 0.079554 Bi\n0.692327 0.797070 0.579689 Bi\n0.288108 0.169867 0.398426 Bi\n0.288239 0.669988 0.898562 Bi\n0.655520 0.552507 0.750627 O\n0.655361 0.052294 0.250525 O\n0.325073 0.914643 0.727589 O\n0.324918 0.414429 0.227487 O\n0.110748 0.325656 0.887900 O\n0.110697 0.825559 0.387900 O\n0.869692 0.641277 0.090213 O\n0.869741 0.141377 0.590213 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.06605169022917987,
"volume": 211.95521191697188,
"volume_molar": 9.117315149854528,
"formula_full": "Mg2 Bi4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 12
},
{
"id": "jvasp-98655",
"created_at": "2022-09-04T14:36:04.026744Z",
"updated_at": "2022-09-04T14:36:04.026763Z",
"structure_string": "Zn2 Si2 Ag4 O8\n1.0\n5.525459 0.000000 -0.074736\n0.000000 5.487073 0.000000\n-0.042900 0.000000 6.991418\nZn Si Ag O\n2 2 4 8\ndirect\n0.495836 0.808980 0.502225 Zn\n0.995836 0.191019 0.002225 Zn\n0.994392 0.687641 0.254411 Si\n0.494392 0.312359 0.754412 Si\n0.981304 0.199772 0.512347 Ag\n0.481304 0.800228 0.012347 Ag\n0.498569 0.298626 0.243674 Ag\n-0.001431 0.701373 0.743675 Ag\n0.201755 0.289983 0.790895 O\n0.701755 0.710017 0.290895 O\n0.146063 0.795250 0.441915 O\n0.646063 0.204750 0.941915 O\n0.571913 0.600406 0.723727 O\n0.562167 0.156290 0.559803 O\n0.071913 0.399594 0.223727 O\n0.062167 0.843710 0.059803 O\n",
"nsites": 16,
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"elements": [
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"Si",
"Ag",
"O"
],
"chemical_system": "Ag-O-Si-Zn",
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"density_atomic": 0.07548865046803503,
"volume": 211.95239152904253,
"volume_molar": 7.977544601290786,
"formula_full": "Zn2 Si2 Ag4 O8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 7
},
{
"id": "jvasp-21752",
"created_at": "2022-09-04T14:37:51.289376Z",
"updated_at": "2022-09-04T14:37:51.289407Z",
"structure_string": "Zr4 Re8\n1.0\n2.652362 -4.594025 0.000000\n2.652362 4.594025 0.000000\n0.000000 -0.000000 8.696957\nZr Re\n4 8\ndirect\n0.333332 0.666667 0.438139 Zr\n0.666667 0.333332 0.938139 Zr\n0.666667 0.333332 0.561861 Zr\n0.333332 0.666667 0.061861 Zr\n0.657073 0.828536 0.750000 Re\n0.342927 0.171463 0.250000 Re\n0.828537 0.171463 0.250000 Re\n0.171463 0.342927 0.750000 Re\n0.171463 0.828537 0.750000 Re\n0.828536 0.657073 0.250000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n",
"nsites": 12,
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"elements": [
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"density": 14.529967490733851,
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"volume": 211.9451436491567,
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"formula_full": "Zr4 Re8",
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{
"id": "jvasp-25638",
"created_at": "2022-09-04T14:37:42.770369Z",
"updated_at": "2022-09-04T14:37:42.770389Z",
"structure_string": "Na1 Zr2 Co1 F11\n1.0\n5.264582 0.012170 2.011654\n1.001843 5.168393 2.011654\n-0.006077 -0.005024 7.788870\nNa Zr Co F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.509942 0.509943 0.761374 Zr\n0.490056 0.490057 0.238625 Zr\n-0.000000 0.000000 0.500000 Co\n0.820575 0.221111 0.682907 F\n0.778889 0.179424 0.317092 F\n0.179423 0.778889 0.317092 F\n0.221109 0.820576 0.682907 F\n0.499999 0.500000 0.500000 F\n0.326353 0.673646 -0.000000 F\n0.673646 0.326353 -0.000000 F\n0.239540 0.239541 0.350196 F\n0.760458 0.760459 0.649803 F\n0.268095 0.268096 0.890379 F\n0.731904 0.731904 0.109620 F\n",
"nsites": 15,
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"elements": [
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"F"
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"density_atomic": 0.07077412858792607,
"volume": 211.94185360212222,
"volume_molar": 8.508957835515286,
"formula_full": "Na1 Zr2 Co1 F11",
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"formula_anonymous": "ABC2D11",
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"spacegroup": 12
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{
"id": "jvasp-30736",
"created_at": "2022-09-04T14:38:00.997033Z",
"updated_at": "2022-09-04T14:38:00.997046Z",
"structure_string": "Mg2 Bi4 O8\n1.0\n3.325579 -0.000180 0.682260\n1.471992 9.945969 1.273986\n0.379473 1.146773 6.597546\nMg Bi O\n2 4 8\ndirect\n0.251132 0.239073 0.266598 Mg\n0.751177 0.739042 0.766470 Mg\n0.612657 0.079583 0.703050 Bi\n0.112647 0.579652 0.202955 Bi\n0.889690 0.398461 0.830108 Bi\n0.389674 0.898531 0.330011 Bi\n0.904898 0.750611 0.447510 O\n0.404871 0.250561 0.947658 O\n0.597461 0.727553 0.085408 O\n0.097430 0.227501 0.585556 O\n0.222809 0.887889 0.674376 O\n0.722778 0.387906 0.174456 O\n0.779518 0.090225 0.358688 O\n0.279556 0.590209 0.858608 O\n",
"nsites": 14,
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"elements": [
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"density": 7.9330624850252125,
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"volume": 211.94088796769904,
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"formula_full": "Mg2 Bi4 O8",
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"spacegroup": 12
},
{
"id": "jvasp-66552",
"created_at": "2022-09-04T14:36:15.273730Z",
"updated_at": "2022-09-04T14:36:15.273751Z",
"structure_string": "Ba4 Re1 Pd1\n1.0\n-0.000000 4.732154 4.732154\n4.732154 0.000000 4.732154\n4.732154 4.732154 0.000000\nBa Re Pd\n4 1 1\ndirect\n0.124802 0.625065 0.625065 Ba\n0.625065 0.625065 0.625065 Ba\n0.625065 0.124802 0.625065 Ba\n0.625065 0.625065 0.124802 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
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"elements": [
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"Pd"
],
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"density": 6.596613770046046,
"density_atomic": 0.02831031137294442,
"volume": 211.93691305472805,
"volume_molar": 21.27189871092423,
"formula_full": "Ba4 Re1 Pd1",
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"spacegroup": 216
},
{
"id": "jvasp-111283",
"created_at": "2022-09-04T14:38:49.274934Z",
"updated_at": "2022-09-04T14:38:49.274960Z",
"structure_string": "Na6 Ag2\n1.0\n6.765186 -0.000000 0.000000\n-3.382592 5.858823 0.000000\n-0.000000 -0.000000 5.346713\nNa Ag\n6 2\ndirect\n0.175423 0.350845 0.250000 Na\n0.649155 0.824576 0.250000 Na\n0.175423 0.824576 0.250000 Na\n0.824577 0.649154 0.750000 Na\n0.350846 0.175423 0.750000 Na\n0.824577 0.175423 0.750000 Na\n0.333334 0.666666 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
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"volume": 211.92246262616362,
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"formula_full": "Na6 Ag2",
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"spacegroup": 194
},
{
"id": "jvasp-9123",
"created_at": "2022-09-04T14:37:29.485602Z",
"updated_at": "2022-09-04T14:37:29.485628Z",
"structure_string": "Tb6 O9\n1.0\n3.525911 0.000000 0.000000\n-1.762955 6.913566 -1.237760\n0.000000 0.014040 8.690921\nTb O\n6 9\ndirect\n0.033158 0.066318 0.812969 Tb\n0.966840 0.933683 0.187031 Tb\n0.309465 0.618931 0.862585 Tb\n0.690534 0.381069 0.137415 Tb\n0.364979 0.729959 0.512691 Tb\n0.635020 0.270041 0.487309 Tb\n0.500000 0.000000 0.000000 O\n0.528339 0.056679 0.656116 O\n0.471660 0.943321 0.343885 O\n0.205569 0.411138 0.624368 O\n0.794430 0.588863 0.375632 O\n0.174890 0.349781 0.970191 O\n0.128198 0.256398 0.283034 O\n0.871801 0.743603 0.716966 O\n0.825108 0.650220 0.029809 O\n",
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"density": 8.600174315765488,
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"volume": 211.9165386481693,
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"formula_full": "Tb6 O9",
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"formula_anonymous": "A2B3",
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"spacegroup": 12
},
{
"id": "jvasp-119492",
"created_at": "2022-09-04T14:38:51.414289Z",
"updated_at": "2022-09-04T14:38:51.414310Z",
"structure_string": "Mn2 V2 Ga10\n1.0\n8.886299 0.032993 0.000000\n-0.026145 8.886322 0.000000\n0.000000 0.000000 2.683252\nMn V Ga\n2 2 10\ndirect\n0.821686 0.178314 0.500000 Mn\n0.178314 0.821686 0.500000 Mn\n0.320280 0.320280 0.500000 V\n0.679719 0.679719 0.500000 V\n0.939319 0.704826 -0.000000 Ga\n0.060681 0.295173 -0.000000 Ga\n0.435299 0.795469 -0.000000 Ga\n0.564700 0.204530 -0.000000 Ga\n0.204530 0.564700 -0.000000 Ga\n0.795469 0.435299 -0.000000 Ga\n0.295173 0.060681 -0.000000 Ga\n0.704826 0.939318 -0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000000 Ga\n",
"nsites": 14,
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],
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"volume": 211.88937201311748,
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"formula_full": "Mn2 V2 Ga10",
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"spacegroup": 65
},
{
"id": "jvasp-21712",
"created_at": "2022-09-04T14:38:32.538254Z",
"updated_at": "2022-09-04T14:38:32.538274Z",
"structure_string": "Pr2 Zn6 Ge3\n1.0\n3.849539 -6.667597 -0.000000\n3.849539 6.667597 0.000000\n-0.000000 0.000000 4.127499\nPr Zn Ge\n2 6 3\ndirect\n0.666667 0.333333 0.000000 Pr\n0.333333 0.666667 0.000000 Pr\n-0.000000 0.287852 0.500000 Zn\n0.287852 -0.000000 0.500000 Zn\n-0.000000 0.811362 0.000000 Zn\n0.188639 0.188639 0.000000 Zn\n0.712149 0.712149 0.500000 Zn\n0.811362 -0.000000 0.000000 Zn\n-0.000000 0.617598 0.500000 Ge\n0.382403 0.382403 0.500000 Ge\n0.617598 -0.000000 0.500000 Ge\n",
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"volume": 211.8824757132993,
"volume_molar": 11.599873575661544,
"formula_full": "Pr2 Zn6 Ge3",
"formula_reduced": "Pr2(Zn2Ge)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-104758",
"created_at": "2022-09-04T14:36:56.519851Z",
"updated_at": "2022-09-04T14:36:56.519886Z",
"structure_string": "C2 Cl6\n1.0\n6.373229 0.339289 3.807809\n3.362999 5.528749 2.360651\n-0.095652 0.164898 6.168461\nC Cl\n2 6\ndirect\n0.920179 0.959708 0.079821 C\n0.040293 0.079822 0.959707 C\n0.689246 0.032747 0.006709 Cl\n0.993291 0.728703 0.310754 Cl\n0.611728 0.388273 0.388272 Cl\n0.271298 0.006709 0.032747 Cl\n0.967253 0.310755 0.728702 Cl\n0.348715 0.651285 0.651284 Cl\n",
"nsites": 8,
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],
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"volume": 211.88123586175982,
"volume_molar": 15.949732834528469,
"formula_full": "C2 Cl6",
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"formula_anonymous": "AB3",
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"spacegroup": 69
}
]
}