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{
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"results": [
{
"id": "mp-1280622",
"created_at": "2022-09-04T14:45:40.530344Z",
"structure_string": "Mn2 V2 O8\n1.0\n0.005591 4.462264 4.462076\n3.591477 -4.305202 -0.152582\n3.589100 -0.154634 -4.303074\nMn V O\n2 2 8\ndirect\n0.999927 0.999969 0.499908 Mn\n0.000035 0.500010 0.000067 Mn\n0.463092 0.213028 0.213073 V\n0.536814 0.786948 0.786841 V\n0.211267 0.260591 0.260768 O\n0.810573 0.261027 0.261095 O\n0.788893 0.739445 0.739391 O\n0.189495 0.739007 0.739042 O\n0.679645 0.165034 0.694186 O\n0.679625 0.694145 0.165166 O\n0.320339 0.834861 0.305852 O\n0.320295 0.305936 0.834612 O\n",
"nsites": 12,
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"formula_full": "Mn2 V2 O8",
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"spacegroup": 74
},
{
"id": "mp-29462",
"created_at": "2022-09-04T14:45:40.069367Z",
"structure_string": "Na4 Ga12 Te20\n1.0\n7.412322 -7.476491 0.000000\n7.412322 7.476491 0.000000\n-0.128893 0.000000 10.527290\nNa Ga Te\n4 12 20\ndirect\n0.256358 0.000000 0.743642 Na\n0.743642 0.256358 0.000000 Na\n0.000000 0.743642 0.256358 Na\n0.500000 0.500000 0.500000 Na\n0.838542 0.878048 0.573524 Ga\n0.573524 0.838542 0.878048 Ga\n0.878048 0.573524 0.838542 Ga\n0.161458 0.426476 0.121952 Ga\n0.121952 0.161458 0.426476 Ga\n0.426476 0.121952 0.161458 Ga\n0.747100 0.165618 0.342895 Ga\n0.342895 0.747100 0.165618 Ga\n0.165618 0.342895 0.747100 Ga\n0.252900 0.657105 0.834382 Ga\n0.834382 0.252900 0.657105 Ga\n0.657105 0.834382 0.252900 Ga\n0.173538 0.826462 0.000000 Te\n0.826462 0.000000 0.173538 Te\n0.172532 0.172532 0.172532 Te\n0.827468 0.827468 0.827468 Te\n0.000000 0.173538 0.826462 Te\n0.922845 0.500000 0.077155 Te\n0.077155 0.922845 0.500000 Te\n0.500000 0.077155 0.922845 Te\n0.749765 0.686843 0.430798 Te\n0.430798 0.749765 0.686843 Te\n0.686843 0.430798 0.749765 Te\n0.250235 0.569202 0.313157 Te\n0.313157 0.250235 0.569202 Te\n0.569202 0.313157 0.250235 Te\n0.673399 0.069951 0.569629 Te\n0.569629 0.673399 0.069951 Te\n0.069951 0.569629 0.673399 Te\n0.326601 0.430371 0.930049 Te\n0.930049 0.326601 0.430371 Te\n0.430371 0.930049 0.326601 Te\n",
"nsites": 36,
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"elements": [
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"Ga",
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],
"chemical_system": "Ga-Na-Te",
"density": 4.953462909359914,
"density_atomic": 0.0308534565848672,
"volume": 1166.8060562671944,
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"formula_full": "Na4 Ga12 Te20",
"formula_reduced": "NaGa3Te5",
"formula_anonymous": "AB3C5",
"energy": -129.93362818,
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"updated_at": "2021-11-28T01:37:02.066000Z",
"spacegroup": 155
},
{
"id": "mp-1233772",
"created_at": "2022-09-04T14:45:40.106776Z",
"structure_string": "Ca1 Hf4 Pb4 O12\n1.0\n6.102378 0.028318 0.037618\n0.038373 8.392327 0.205373\n0.035819 0.141282 6.058426\nCa Hf Pb O\n1 4 4 12\ndirect\n0.516097 0.928446 0.590553 Ca\n0.007916 0.006011 0.511955 Hf\n0.002107 0.510970 0.475236 Hf\n0.502514 0.008858 0.055603 Hf\n0.493699 0.504001 0.970482 Hf\n0.998838 0.246944 0.930904 Pb\n0.496671 0.621537 0.437211 Pb\n0.478127 0.277710 0.471812 Pb\n0.975686 0.744541 0.976271 Pb\n0.991681 0.757820 0.550709 O\n0.214015 0.554414 0.197787 O\n0.270147 0.984490 0.297718 O\n0.246007 0.496077 0.749272 O\n0.243683 0.020483 0.801031 O\n0.491771 0.260911 0.052725 O\n0.532317 0.765774 0.964265 O\n0.783608 0.524443 0.214346 O\n0.755272 0.000069 0.288857 O\n0.776483 0.035384 0.789657 O\n0.748619 0.480840 0.734697 O\n0.037240 0.262462 0.501410 O\n",
"nsites": 21,
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"elements": [
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],
"chemical_system": "Ca-Hf-O-Pb",
"density": 9.504672029359645,
"density_atomic": 0.06772521245532812,
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"formula_full": "Ca1 Hf4 Pb4 O12",
"formula_reduced": "CaHf4(PbO3)4",
"formula_anonymous": "AB4C4D12",
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"updated_at": "2021-11-28T01:37:07.648000Z",
"spacegroup": 1
},
{
"id": "mp-555952",
"created_at": "2022-09-04T14:45:40.117726Z",
"structure_string": "Sb8 Ru2 C12 O12 F44\n1.0\n12.783768 0.000000 0.000000\n0.000000 9.991891 0.000000\n0.000000 6.165185 10.076598\nSb Ru C O F\n8 2 12 12 44\ndirect\n0.299785 0.600167 0.996489 Sb\n0.799785 0.399833 0.503511 Sb\n0.131622 0.241250 0.273474 Sb\n0.631622 0.758750 0.226526 Sb\n0.200215 0.600167 0.496489 Sb\n0.368378 0.241250 0.773474 Sb\n0.868378 0.758750 0.726526 Sb\n0.700215 0.399833 0.003511 Sb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.523086 0.769557 0.573789 C\n0.553315 0.970146 0.672455 C\n0.146687 0.950035 0.073548 C\n0.476914 0.230443 0.426211 C\n0.646687 0.049965 0.426452 C\n0.446685 0.029854 0.327545 C\n0.353313 0.950035 0.573548 C\n0.023086 0.230443 0.926211 C\n0.053315 0.029854 0.827545 C\n0.976914 0.769557 0.073789 C\n0.946685 0.970146 0.172455 C\n0.853313 0.049965 0.926452 C\n0.771164 0.082064 0.883886 O\n0.271164 0.917936 0.616114 O\n0.728836 0.082064 0.383886 O\n0.033486 0.361548 0.881377 O\n0.466514 0.361548 0.381377 O\n0.416804 0.047883 0.229993 O\n0.228836 0.917936 0.116114 O\n0.583196 0.952117 0.770007 O\n0.533486 0.638452 0.618623 O\n0.916804 0.952117 0.270007 O\n0.966514 0.638452 0.118623 O\n0.083196 0.047883 0.729993 O\n0.733792 0.465137 0.610041 F\n0.995564 0.702403 0.824312 F\n0.615197 0.582273 0.920670 F\n0.684203 0.535989 0.362940 F\n0.729918 0.794267 0.652562 F\n0.089200 0.034509 0.401245 F\n0.270082 0.205733 0.347438 F\n0.652492 0.348274 0.879398 F\n0.815797 0.535989 0.862940 F\n0.410800 0.034509 0.901245 F\n0.681782 0.821690 0.344819 F\n0.396070 0.731212 0.859380 F\n0.229918 0.205733 0.847438 F\n0.911034 0.668361 0.628098 F\n0.302599 0.763793 0.441204 F\n0.818218 0.821690 0.844819 F\n0.103930 0.731212 0.359380 F\n0.910800 0.965491 0.598755 F\n0.115197 0.417727 0.579330 F\n0.884803 0.582273 0.420670 F\n0.184203 0.464011 0.137060 F\n0.802599 0.236207 0.058796 F\n0.504436 0.702403 0.324312 F\n0.495564 0.297597 0.675688 F\n0.318218 0.178310 0.655181 F\n0.766208 0.465137 0.110041 F\n0.411034 0.331639 0.871902 F\n0.770082 0.794267 0.152562 F\n0.197401 0.763793 0.941204 F\n0.588966 0.668361 0.128098 F\n0.152492 0.651726 0.620602 F\n0.233792 0.534863 0.889959 F\n0.004436 0.297597 0.175688 F\n0.589200 0.965491 0.098755 F\n0.697401 0.236207 0.558796 F\n0.315797 0.464011 0.637060 F\n0.088966 0.331639 0.371902 F\n0.603930 0.268788 0.140620 F\n0.266208 0.534863 0.389959 F\n0.181782 0.178310 0.155181 F\n0.896070 0.268788 0.640620 F\n0.347508 0.651726 0.120602 F\n0.384803 0.417727 0.079330 F\n0.847508 0.348274 0.379398 F\n",
"nsites": 78,
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"elements": [
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"C",
"O",
"F"
],
"chemical_system": "C-F-O-Ru-Sb",
"density": 3.0295407613805354,
"density_atomic": 0.06060020614383989,
"volume": 1287.1243344430245,
"volume_molar": 9.937492202098987,
"formula_full": "Sb8 Ru2 C12 O12 F44",
"formula_reduced": "Sb4RuC6(O3F11)2",
"formula_anonymous": "AB4C6D6E22",
"energy": -471.02743809,
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"updated_at": "2021-11-28T01:37:05.706000Z",
"spacegroup": 14
},
{
"id": "mp-1180019",
"created_at": "2022-09-04T14:45:40.129351Z",
"structure_string": "Pb6 O12\n1.0\n5.734510 0.000000 0.000000\n0.000000 8.005191 0.000000\n0.000000 3.593416 7.859783\nPb O\n6 12\ndirect\n0.750000 0.990653 0.648239 Pb\n0.250000 0.009347 0.351761 Pb\n0.750000 0.415241 0.223372 Pb\n0.250000 0.584759 0.776628 Pb\n0.750000 0.612153 0.512008 Pb\n0.250000 0.387847 0.487992 Pb\n0.488301 0.416563 0.679835 O\n0.511699 0.583437 0.320165 O\n0.011699 0.416563 0.679835 O\n0.988301 0.583437 0.320165 O\n0.750000 0.120647 0.954661 O\n0.250000 0.879353 0.045339 O\n0.750000 0.066029 0.111920 O\n0.250000 0.933971 0.888080 O\n0.005252 0.196305 0.437920 O\n0.994748 0.803695 0.562080 O\n0.494748 0.196305 0.437920 O\n0.505252 0.803695 0.562080 O\n",
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"density": 6.605120967336583,
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"volume": 360.81000246450105,
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"formula_full": "Pb6 O12",
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"spacegroup": 11
},
{
"id": "mp-675379",
"created_at": "2022-09-04T14:45:40.174426Z",
"structure_string": "Li4 Ta4 O6\n1.0\n4.874910 0.000000 0.000000\n1.932941 4.581590 0.000000\n1.006086 0.670896 8.471891\nLi Ta O\n4 4 6\ndirect\n0.588976 0.659114 0.121177 Li\n0.119661 0.122261 0.625720 Li\n0.837576 0.853483 0.385245 Li\n0.374253 0.398867 0.862591 Li\n0.961077 0.981709 0.984680 Ta\n0.264959 0.287016 0.250332 Ta\n0.481074 0.453403 0.480334 Ta\n0.771740 0.765631 0.765246 Ta\n0.849380 0.439848 0.340663 O\n0.229301 0.578829 0.072096 O\n0.671999 0.011599 0.172959 O\n0.726395 0.099408 0.606334 O\n0.806499 0.392387 0.895711 O\n0.127960 0.523895 0.626061 O\n",
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"volume": 189.21832072181593,
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"formula_full": "Li4 Ta4 O6",
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"formula_anonymous": "A2B2C3",
"energy": -110.96255421,
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{
"id": "mp-756368",
"created_at": "2022-09-04T14:45:40.185638Z",
"structure_string": "Te1 W3 O12\n1.0\n-5.252769 0.000000 0.000000\n-0.001577 5.384040 0.000000\n-0.000937 0.247058 -7.515552\nTe W O\n1 3 12\ndirect\n0.499633 0.502496 0.500452 Te\n0.002135 0.002251 0.511359 W\n0.498176 0.520288 0.000315 W\n0.000073 0.020376 0.011537 W\n0.707143 0.211943 0.548768 O\n0.917967 0.006561 0.254816 O\n0.709350 0.799859 0.961680 O\n0.791114 0.710443 0.548513 O\n0.207431 0.716036 0.042982 O\n0.591561 0.505168 0.251780 O\n0.409076 0.504162 0.750715 O\n0.790889 0.299856 0.962036 O\n0.208119 0.294702 0.455672 O\n0.292076 0.216806 0.043300 O\n0.082405 0.003508 0.754512 O\n0.292853 0.795147 0.456365 O\n",
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"density": 6.805593869519884,
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"volume": 212.5482160041619,
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{
"id": "mp-1192855",
"created_at": "2022-09-04T14:45:40.266990Z",
"structure_string": "U8 Co1 Se17\n1.0\n4.345405 6.907974 0.000000\n-4.345405 6.907974 0.000000\n0.000000 2.215911 10.552052\nU Co Se\n8 1 17\ndirect\n0.180269 0.696826 0.702688 U\n0.696826 0.180269 0.702688 U\n0.819731 0.303174 0.297312 U\n0.303174 0.819731 0.297312 U\n0.200152 0.200152 0.545197 U\n0.799848 0.799848 0.454803 U\n0.679814 0.679814 0.986969 U\n0.320186 0.320186 0.013031 U\n0.000000 0.000000 0.000000 Co\n0.817729 0.435776 0.536223 Se\n0.435776 0.817729 0.536223 Se\n0.182271 0.564224 0.463777 Se\n0.564224 0.182271 0.463777 Se\n0.053580 0.680956 0.974493 Se\n0.680956 0.053580 0.974493 Se\n0.946420 0.319044 0.025507 Se\n0.319044 0.946420 0.025507 Se\n0.054030 0.054030 0.778199 Se\n0.945970 0.945970 0.221801 Se\n0.215310 0.215310 0.277240 Se\n0.784690 0.784690 0.722760 Se\n0.298415 0.298415 0.756143 Se\n0.701585 0.701585 0.243857 Se\n0.521291 0.521291 0.830355 Se\n0.478709 0.478709 0.169645 Se\n0.000000 0.000000 0.500000 Se\n",
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{
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{
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{
"id": "mp-33444",
"created_at": "2022-09-04T14:45:40.134437Z",
"structure_string": "Sr5 Bi3 O12\n1.0\n6.027237 0.000000 0.000000\n0.008987 6.205504 0.000000\n0.022014 0.079643 8.576775\nSr Bi O\n5 3 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.981275 0.448527 0.242211 Sr\n0.512158 0.952270 0.245763 Sr\n0.487842 0.047730 0.754237 Sr\n0.018725 0.551473 0.757789 Sr\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.889845 0.951366 0.728491 O\n0.790424 0.718792 0.431940 O\n0.784543 0.681125 0.048329 O\n0.712951 0.210690 0.440760 O\n0.677039 0.217518 0.057489 O\n0.611064 0.452598 0.749492 O\n0.388936 0.547402 0.250508 O\n0.322961 0.782482 0.942511 O\n0.287049 0.789310 0.559240 O\n0.215457 0.318875 0.951671 O\n0.209576 0.281208 0.568060 O\n0.110155 0.048634 0.271509 O\n",
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{
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"structure_string": "Ga10 Rh6\n1.0\n5.030217 0.000000 0.000000\n-1.331165 6.601171 0.000000\n-2.032702 -1.956777 7.477688\nGa Rh\n10 6\ndirect\n0.776963 0.546995 0.539600 Ga\n0.223037 0.453005 0.460400 Ga\n0.913571 0.178006 0.045569 Ga\n0.086429 0.821994 0.954431 Ga\n0.551347 0.142856 0.274136 Ga\n0.448653 0.857144 0.725864 Ga\n0.680618 0.473599 0.872122 Ga\n0.319382 0.526401 0.127878 Ga\n0.041147 0.906234 0.346446 Ga\n0.958853 0.093766 0.653554 Ga\n0.847865 0.513775 0.224384 Rh\n0.152135 0.486225 0.775616 Rh\n0.635195 0.826984 0.049783 Rh\n0.364805 0.173016 0.950217 Rh\n0.544347 0.804806 0.421789 Rh\n0.455653 0.195194 0.578211 Rh\n",
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}