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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=1745",
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"results": [
{
"id": "mp-678358",
"created_at": "2022-09-04T14:47:44.332058Z",
"structure_string": "Hf20 Zr4 Te32\n1.0\n10.980428 0.000000 0.000000\n-5.487892 -9.548184 0.000000\n-0.003229 0.001190 -15.777753\nHf Zr Te\n20 4 32\ndirect\n0.489947 0.367068 0.937362 Hf\n0.490800 0.365833 0.437934 Hf\n0.490222 0.367047 0.187302 Hf\n0.633065 0.121535 0.687762 Hf\n0.632740 0.121272 0.937633 Hf\n0.632819 0.122206 0.188076 Hf\n0.876699 0.508571 0.937930 Hf\n0.876758 0.509685 0.687610 Hf\n0.878040 0.510052 0.437633 Hf\n0.877685 0.509704 0.186887 Hf\n0.122503 0.489985 0.812248 Hf\n0.123484 0.491136 0.312910 Hf\n0.122143 0.490170 0.062949 Hf\n0.365783 0.877065 0.562834 Hf\n0.367315 0.878752 0.312625 Hf\n0.366875 0.877882 0.061671 Hf\n0.510257 0.632897 0.563088 Hf\n0.510513 0.633781 0.812764 Hf\n0.509887 0.632986 0.311657 Hf\n0.508961 0.632429 0.062651 Hf\n0.491585 0.367842 0.687248 Zr\n0.632185 0.121847 0.436545 Zr\n0.122911 0.491331 0.561831 Zr\n0.367640 0.877316 0.812926 Zr\n0.342929 0.056395 0.938349 Te\n0.342655 0.054369 0.686559 Te\n0.338428 0.052489 0.437697 Te\n0.341967 0.054249 0.187313 Te\n0.711181 0.656764 0.937973 Te\n0.713317 0.660559 0.688081 Te\n0.710808 0.656515 0.437260 Te\n0.711272 0.656689 0.187038 Te\n0.667419 0.331937 0.813202 Te\n0.668544 0.332854 0.562373 Te\n0.667501 0.334102 0.311795 Te\n0.666565 0.332026 0.062633 Te\n0.051115 0.709681 0.812872 Te\n0.051126 0.713294 0.563011 Te\n0.053020 0.711634 0.312188 Te\n0.053160 0.711741 0.062097 Te\n0.947133 0.288290 0.937898 Te\n0.945287 0.287700 0.688069 Te\n0.946868 0.288773 0.435923 Te\n0.947090 0.288541 0.187911 Te\n0.332413 0.665927 0.938088 Te\n0.333673 0.666903 0.687709 Te\n0.332790 0.667889 0.187332 Te\n0.334925 0.668874 0.436912 Te\n0.288248 0.344257 0.813247 Te\n0.289498 0.343612 0.561049 Te\n0.289482 0.343213 0.312614 Te\n0.288383 0.342709 0.062661 Te\n0.661399 0.947043 0.813036 Te\n0.656460 0.943787 0.563300 Te\n0.656987 0.943437 0.310978 Te\n0.657541 0.945358 0.062758 Te\n",
"nsites": 56,
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"elements": [
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],
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"density": 8.048673589806482,
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"volume": 1654.189276205446,
"volume_molar": 17.788858330342347,
"formula_full": "Hf20 Zr4 Te32",
"formula_reduced": "Hf5ZrTe8",
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"updated_at": "2021-11-28T01:38:18.654000Z",
"spacegroup": 1
},
{
"id": "mp-22026",
"created_at": "2022-09-04T14:44:05.187751Z",
"structure_string": "Ce1 Ni2 Sn2\n1.0\n-2.215090 2.215090 5.202662\n2.215090 -2.215090 5.202662\n2.215090 2.215090 -5.202662\nCe Ni Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.636162 0.636162 0.000000 Sn\n0.363838 0.363838 0.000000 Sn\n",
"nsites": 5,
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"volume": 102.11001885772384,
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"formula_full": "Ce1 Ni2 Sn2",
"formula_reduced": "Ce(NiSn)2",
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"energy": -27.63346399,
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"updated_at": "2021-11-28T01:36:30.555000Z",
"spacegroup": 139
},
{
"id": "mp-769033",
"created_at": "2022-09-04T14:40:36.868412Z",
"structure_string": "Bi12 B4 O24\n1.0\n4.947675 0.000000 0.000000\n0.000000 9.846306 0.000000\n0.000000 0.000000 12.429817\nBi B O\n12 4 24\ndirect\n0.488820 0.750000 0.076275 Bi\n0.985710 0.063614 0.137262 Bi\n0.985710 0.436386 0.137262 Bi\n0.485710 0.563614 0.362738 Bi\n0.485710 0.936386 0.362738 Bi\n0.988820 0.250000 0.423725 Bi\n0.011180 0.750000 0.576275 Bi\n0.514290 0.063614 0.637262 Bi\n0.514290 0.436386 0.637262 Bi\n0.014290 0.563614 0.862738 Bi\n0.014290 0.936386 0.862738 Bi\n0.511180 0.250000 0.923725 Bi\n0.426747 0.250000 0.217584 B\n0.926747 0.750000 0.282416 B\n0.073253 0.250000 0.717584 B\n0.573253 0.750000 0.782416 B\n0.214826 0.590226 0.035487 O\n0.214826 0.909774 0.035487 O\n0.312269 0.250000 0.100732 O\n0.802353 0.876274 0.232969 O\n0.802353 0.623726 0.232969 O\n0.718653 0.250000 0.226719 O\n0.218653 0.750000 0.273281 O\n0.302353 0.123726 0.267031 O\n0.302353 0.376274 0.267031 O\n0.812269 0.750000 0.399268 O\n0.714826 0.090226 0.464513 O\n0.714826 0.409774 0.464513 O\n0.285174 0.590226 0.535487 O\n0.285174 0.909774 0.535487 O\n0.187731 0.250000 0.600732 O\n0.697647 0.623726 0.732969 O\n0.697647 0.876274 0.732969 O\n0.781347 0.250000 0.726719 O\n0.281347 0.750000 0.773281 O\n0.197647 0.123726 0.767031 O\n0.197647 0.376274 0.767031 O\n0.687731 0.750000 0.899268 O\n0.785174 0.090226 0.964513 O\n0.785174 0.409774 0.964513 O\n",
"nsites": 40,
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"elements": [
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"formula_full": "Bi12 B4 O24",
"formula_reduced": "Bi3BO6",
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"energy": -268.49039896,
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"updated_at": "2021-11-28T01:35:04.976000Z",
"spacegroup": 62
},
{
"id": "mp-1048143",
"created_at": "2022-09-04T14:40:15.694071Z",
"structure_string": "Ba2 Al1 W3 O8\n1.0\n3.967186 0.000000 0.000000\n0.000000 3.967186 0.000000\n0.000000 0.000000 12.861976\nBa Al W O\n2 1 3 8\ndirect\n0.500000 0.500000 0.192786 Ba\n0.500000 0.500000 0.807214 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.399942 W\n0.000000 0.000000 0.000000 W\n0.000000 0.000000 0.600058 W\n0.000000 0.500000 0.350381 O\n0.500000 0.000000 0.350381 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.151155 O\n0.000000 0.500000 0.649619 O\n0.500000 0.000000 0.649619 O\n0.000000 0.000000 0.848845 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Al-Ba-O-W",
"density": 8.048445588469558,
"density_atomic": 0.06916003676094092,
"volume": 202.42904219950753,
"volume_molar": 8.707544185981531,
"formula_full": "Ba2 Al1 W3 O8",
"formula_reduced": "Ba2AlW3O8",
"formula_anonymous": "AB2C3D8",
"energy": -113.67839746,
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"updated_at": "2021-11-28T01:34:51.589000Z",
"spacegroup": 123
},
{
"id": "mp-1018159",
"created_at": "2022-09-04T14:46:08.538903Z",
"structure_string": "Er1 Sb2\n1.0\n1.769654 -3.148837 0.000000\n1.769654 3.148837 0.000000\n0.000000 0.000000 7.604628\nEr Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.000000 0.678019 Sb\n0.000000 0.500000 0.321981 Sb\n",
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"formula_full": "Er1 Sb2",
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"spacegroup": 21
},
{
"id": "mp-20855",
"created_at": "2022-09-04T14:41:06.131801Z",
"structure_string": "Eu1 Sb12 Ru4\n1.0\n-4.703510 4.703510 4.703510\n4.703510 -4.703510 4.703510\n4.703510 4.703510 -4.703510\nEu Sb Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.658706 0.841138 0.499844 Sb\n0.341294 0.158862 0.500156 Sb\n0.841138 0.182432 0.341294 Sb\n0.817568 0.658706 0.158862 Sb\n0.841138 0.499844 0.658706 Sb\n0.182432 0.341294 0.841138 Sb\n0.158862 0.817568 0.658706 Sb\n0.499844 0.658706 0.841138 Sb\n0.500156 0.341294 0.158862 Sb\n0.158862 0.500156 0.341294 Sb\n0.341294 0.841138 0.182432 Sb\n0.658706 0.158862 0.817568 Sb\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n",
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"density": 8.048355619115487,
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"volume": 416.2231258266141,
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"formula_full": "Eu1 Sb12 Ru4",
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{
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"created_at": "2022-09-04T14:46:54.660081Z",
"structure_string": "Cr2 Sb6 Pb8 O26\n1.0\n5.290572 -5.290577 0.045444\n-10.626784 -5.381638 5.290614\n-0.045602 -5.290736 -5.290915\nCr Sb Pb O\n2 6 8 26\ndirect\n0.500504 0.749652 0.250966 Cr\n0.500636 0.249651 0.750937 Cr\n0.999122 0.249828 0.750533 Sb\n0.999077 0.749839 0.250513 Sb\n0.500362 0.000439 0.999920 Sb\n0.500378 0.500451 0.499923 Sb\n0.500385 0.249828 0.249274 Sb\n0.500386 0.749831 0.749268 Sb\n0.001514 0.499256 0.002318 Pb\n0.001526 0.999255 0.502328 Pb\n0.495418 0.499355 0.001782 Pb\n0.495396 0.999325 0.501767 Pb\n0.001304 0.252326 0.248964 Pb\n0.001279 0.752362 0.749030 Pb\n0.001236 0.499408 0.496022 Pb\n0.001196 0.999383 0.996022 Pb\n0.875640 0.062213 0.313400 O\n0.875652 0.562235 0.813389 O\n0.172568 0.213408 0.859755 O\n0.172495 0.713417 0.359775 O\n0.573194 0.413710 0.659467 O\n0.573161 0.913710 0.159472 O\n0.573172 0.213406 0.459137 O\n0.573158 0.713416 0.959128 O\n0.574308 0.411478 0.265588 O\n0.574306 0.911480 0.765575 O\n0.177078 0.212855 0.464209 O\n0.177076 0.712871 0.964189 O\n0.177073 0.411472 0.662834 O\n0.177073 0.911477 0.162828 O\n0.824087 0.285263 0.644189 O\n0.824029 0.785244 0.144202 O\n0.429439 0.087937 0.841512 O\n0.429399 0.587915 0.341525 O\n0.429444 0.285263 0.038830 O\n0.429389 0.785262 0.538879 O\n0.427431 0.089554 0.231334 O\n0.427446 0.589550 0.731332 O\n0.820907 0.286295 0.034587 O\n0.820918 0.786284 0.534611 O\n0.820915 0.089548 0.837838 O\n0.820926 0.589547 0.337850 O\n",
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"formula_full": "Cr2 Sb6 Pb8 O26",
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{
"id": "mp-1101148",
"created_at": "2022-09-04T14:48:09.273268Z",
"structure_string": "Te16 Rh9\n1.0\n8.534354 0.859536 13.500396\n2.740076 6.400339 9.720320\n-2.299008 0.277202 8.525837\nTe Rh\n16 9\ndirect\n0.041770 0.206012 0.545914 Te\n0.048717 0.699597 0.041876 Te\n0.292760 0.196794 0.551722 Te\n0.207299 0.296663 0.954930 Te\n0.292701 0.703337 0.045070 Te\n0.207240 0.803206 0.448278 Te\n0.541662 0.208616 0.546627 Te\n0.451283 0.300403 0.958124 Te\n0.546100 0.701565 0.039665 Te\n0.458230 0.793988 0.454086 Te\n0.798137 0.207381 0.530127 Te\n0.702513 0.295898 0.968394 Te\n0.797487 0.704102 0.031606 Te\n0.701863 0.792619 0.469873 Te\n0.953900 0.298435 0.960335 Te\n0.958338 0.791384 0.453373 Te\n0.249553 0.245943 0.254188 Rh\n0.006632 0.749982 0.735586 Rh\n0.493368 0.250018 0.264414 Rh\n0.750000 0.000000 0.000000 Rh\n0.250447 0.754057 0.745812 Rh\n0.751580 0.241805 0.258324 Rh\n0.499028 0.743603 0.751576 Rh\n0.000972 0.256397 0.248424 Rh\n0.748420 0.758195 0.741676 Rh\n",
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"formula_full": "Te16 Rh9",
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{
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"structure_string": "Ga1 Fe3 N1\n1.0\n3.728742 0.000000 0.000000\n0.000000 3.728742 0.000000\n0.000000 0.000000 3.728742\nGa Fe N\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 N\n",
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{
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{
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{
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"created_at": "2022-09-04T14:48:13.494375Z",
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"volume": 384.8882948294895,
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"formula_full": "Ti2 Pb8 N8",
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]
}