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{
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"results": [
{
"id": "oqmd-1101057",
"created_at": "2022-09-04T15:34:27.816297Z",
"updated_at": "2022-09-04T15:34:27.816331Z",
"structure_string": "Dy12 Si12 H12 O48\n1.0\n-0.000163 12.932986 -0.000001\n-0.000003 -0.000001 15.612325\n4.339468 -0.000056 -0.000001\nDy H O Si\n12 12 48 12\ndirect\n0.433283 0.597583 0.152079 Dy\n0.433284 0.902417 0.152079 Dy\n0.888779 0.249999 0.206762 Dy\n0.388793 0.250000 0.293221 Dy\n0.933287 0.597590 0.347931 Dy\n0.933287 0.902410 0.347931 Dy\n0.066712 0.097590 0.652069 Dy\n0.066712 0.402410 0.652069 Dy\n0.611207 0.750000 0.706781 Dy\n0.111221 0.750000 0.793240 Dy\n0.566717 0.097583 0.847920 Dy\n0.566717 0.402417 0.847920 Dy\n0.249930 0.086357 0.128938 H\n0.249931 0.413642 0.128938 H\n0.788193 0.750000 0.175003 H\n0.288192 0.750000 0.325000 H\n0.749927 0.086357 0.371023 H\n0.749927 0.413642 0.371023 H\n0.250073 0.586358 0.628976 H\n0.250073 0.913642 0.628976 H\n0.711807 0.250000 0.675001 H\n0.211806 0.249999 0.824999 H\n0.750069 0.586357 0.871061 H\n0.750069 0.913642 0.871062 H\n0.232634 0.250000 0.056560 O\n0.366600 0.750000 0.099271 O\n0.771523 0.570969 0.105480 O\n0.771523 0.929031 0.105480 O\n0.807870 0.383465 0.126866 O\n0.807870 0.116534 0.126868 O\n0.050988 0.164573 0.156848 O\n0.050988 0.335427 0.156853 O\n0.588449 0.668027 0.163026 O\n0.588449 0.831973 0.163026 O\n0.577097 0.507956 0.223459 O\n0.577097 0.992044 0.223460 O\n0.077073 0.507935 0.276562 O\n0.077073 0.992065 0.276563 O\n0.088442 0.668029 0.336990 O\n0.088443 0.831972 0.336992 O\n0.550981 0.164573 0.343123 O\n0.550981 0.335427 0.343123 O\n0.307862 0.116541 0.372988 O\n0.307862 0.383459 0.372988 O\n0.271517 0.570965 0.394499 O\n0.271517 0.929035 0.394499 O\n0.866604 0.750000 0.400727 O\n0.732616 0.250000 0.443414 O\n0.267383 0.750000 0.556586 O\n0.133395 0.249999 0.599274 O\n0.728482 0.070965 0.605500 O\n0.728483 0.429035 0.605500 O\n0.692137 0.616541 0.627011 O\n0.692137 0.883458 0.627011 O\n0.449020 0.664573 0.656877 O\n0.449020 0.835427 0.656877 O\n0.911558 0.168028 0.663007 O\n0.911558 0.331972 0.663010 O\n0.922926 0.007936 0.723437 O\n0.922926 0.492065 0.723437 O\n0.422903 0.007956 0.776540 O\n0.422903 0.492044 0.776540 O\n0.411550 0.168028 0.836973 O\n0.411551 0.331973 0.836973 O\n0.949013 0.664573 0.843149 O\n0.949013 0.835427 0.843153 O\n0.192129 0.883466 0.873131 O\n0.192129 0.616535 0.873133 O\n0.228476 0.429032 0.894519 O\n0.228477 0.070968 0.894521 O\n0.633400 0.250000 0.900729 O\n0.767366 0.750000 0.943440 O\n0.159311 0.586787 0.215627 Si\n0.159312 0.913214 0.215628 Si\n0.120275 0.250000 0.227528 Si\n0.620310 0.250000 0.272467 Si\n0.659254 0.586752 0.284256 Si\n0.659253 0.913248 0.284256 Si\n0.340747 0.086751 0.715743 Si\n0.340747 0.413249 0.715744 Si\n0.379689 0.750000 0.727532 Si\n0.879724 0.750000 0.772471 Si\n0.840689 0.086787 0.784372 Si\n0.840689 0.413213 0.784372 Si\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Dy",
"H",
"O",
"Si"
],
"chemical_system": "Dy-H-O-Si",
"density": 5.812635470117594,
"density_atomic": 0.09586860439160784,
"volume": 876.1992576513735,
"volume_molar": 6.281661027838189,
"formula_full": "Dy12 Si12 H12 O48",
"formula_reduced": "DySiHO4",
"formula_anonymous": "ABCD4",
"formation_energy": -2.89160577081417,
"spacegroup": 62
},
{
"id": "oqmd-675986",
"created_at": "2022-09-04T15:52:18.409272Z",
"updated_at": "2022-09-04T15:52:18.409305Z",
"structure_string": "Rb2 Na6 Mo4 H36 O34\n1.0\n9.233187 0.000000 0.000000\n-4.616593 7.996174 0.000000\n0.000000 0.000000 12.009291\nH Mo Na O Rb\n36 4 6 34 2\ndirect\n0.321497 0.080516 0.039243 H\n0.919484 0.240981 0.039243 H\n0.759019 0.678503 0.039243 H\n0.090502 0.317757 0.100200 H\n0.682243 0.772745 0.100200 H\n0.227255 0.909498 0.100200 H\n0.368988 0.419175 0.184126 H\n0.050188 0.631012 0.184126 H\n0.580825 0.949812 0.184126 H\n0.368988 0.419175 0.315874 H\n0.050188 0.631012 0.315874 H\n0.580825 0.949812 0.315874 H\n0.090502 0.317757 0.399800 H\n0.682243 0.772745 0.399800 H\n0.227255 0.909498 0.399800 H\n0.321497 0.080516 0.460757 H\n0.919484 0.240981 0.460757 H\n0.759019 0.678503 0.460757 H\n0.240981 0.321497 0.539243 H\n0.080516 0.759019 0.539243 H\n0.678503 0.919484 0.539243 H\n0.772745 0.090502 0.600200 H\n0.317757 0.227255 0.600200 H\n0.909498 0.682243 0.600200 H\n0.419175 0.050188 0.684126 H\n0.949812 0.368988 0.684126 H\n0.631012 0.580825 0.684126 H\n0.419175 0.050188 0.815874 H\n0.949812 0.368988 0.815874 H\n0.631012 0.580825 0.815874 H\n0.772745 0.090502 0.899800 H\n0.317757 0.227255 0.899800 H\n0.909498 0.682243 0.899800 H\n0.240981 0.321497 0.960757 H\n0.080516 0.759019 0.960757 H\n0.678503 0.919484 0.960757 H\n0.333333 0.666667 0.024919 Mo\n0.333333 0.666667 0.475081 Mo\n0.666667 0.333333 0.524919 Mo\n0.666667 0.333333 0.975081 Mo\n0.451305 0.160153 0.250000 Na\n0.839847 0.291152 0.250000 Na\n0.708848 0.548695 0.250000 Na\n0.291152 0.451305 0.750000 Na\n0.160153 0.708848 0.750000 Na\n0.548695 0.839847 0.750000 Na\n0.289420 0.464408 0.072867 O\n0.174989 0.710580 0.072867 O\n0.535592 0.825011 0.072867 O\n0.261752 0.029333 0.109334 O\n0.970667 0.232419 0.109334 O\n0.767581 0.738248 0.109334 O\n0.666667 0.333333 0.121308 O\n0.608224 0.023759 0.250000 O\n0.415535 0.391776 0.250000 O\n0.976241 0.584465 0.250000 O\n0.666667 0.333333 0.378692 O\n0.261752 0.029333 0.390666 O\n0.970667 0.232419 0.390666 O\n0.767581 0.738248 0.390666 O\n0.289420 0.464408 0.427133 O\n0.174989 0.710580 0.427133 O\n0.535592 0.825011 0.427133 O\n0.464408 0.174989 0.572867 O\n0.825011 0.289420 0.572867 O\n0.710580 0.535592 0.572867 O\n0.232419 0.261752 0.609334 O\n0.029333 0.767581 0.609334 O\n0.738248 0.970667 0.609334 O\n0.333333 0.666667 0.621308 O\n0.023759 0.415535 0.750000 O\n0.584465 0.608224 0.750000 O\n0.391776 0.976241 0.750000 O\n0.333333 0.666667 0.878692 O\n0.232419 0.261752 0.890666 O\n0.029333 0.767581 0.890666 O\n0.738248 0.970667 0.890666 O\n0.464408 0.174989 0.927133 O\n0.825011 0.289420 0.927133 O\n0.710580 0.535592 0.927133 O\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n",
"nsites": 82,
"nelements": 5,
"elements": [
"H",
"Mo",
"Na",
"O",
"Rb"
],
"chemical_system": "H-Mo-Na-O-Rb",
"density": 2.38392194011505,
"density_atomic": 0.09248315064429771,
"volume": 886.6479940263142,
"volume_molar": 6.511608566583052,
"formula_full": "Rb2 Na6 Mo4 H36 O34",
"formula_reduced": "RbNa3Mo2H18O17",
"formula_anonymous": "AB2C3D17E18",
"formation_energy": -1.56235582601973,
"spacegroup": 176
},
{
"id": "oqmd-688798",
"created_at": "2022-09-04T15:52:19.155813Z",
"updated_at": "2022-09-04T15:52:19.155836Z",
"structure_string": "Na6 Zn8 As6 H24 O38\n1.0\n5.393758 3.114088 8.640273\n-5.393758 3.114088 8.640273\n0.000000 -6.228176 8.640273\nAs H Na O Zn\n6 24 6 38 8\ndirect\n0.696107 0.193520 0.156427 As\n0.156428 0.696106 0.193520 As\n0.656443 0.693554 0.196109 As\n0.693554 0.196109 0.656443 As\n0.196109 0.656443 0.693555 As\n0.193520 0.156428 0.696106 As\n0.265794 0.469567 0.052303 H\n0.399269 0.330920 0.106157 H\n0.846971 0.373105 0.215879 H\n0.992911 0.313297 0.259351 H\n0.469567 0.052303 0.265794 H\n0.259351 0.992910 0.313298 H\n0.106157 0.399268 0.330920 H\n0.715886 0.873092 0.347004 H\n0.215879 0.846970 0.373105 H\n0.330920 0.106157 0.399269 H\n0.052303 0.265794 0.469568 H\n0.759353 0.813300 0.492942 H\n0.969587 0.765779 0.552329 H\n0.830960 0.899300 0.606134 H\n0.873092 0.347004 0.715885 H\n0.813300 0.492943 0.759352 H\n0.552330 0.969586 0.765779 H\n0.492942 0.759352 0.813300 H\n0.899300 0.606135 0.830959 H\n0.373105 0.215879 0.846970 H\n0.347005 0.715885 0.873092 H\n0.606135 0.830959 0.899300 H\n0.765779 0.552329 0.969587 H\n0.313297 0.259352 0.992910 H\n0.334344 0.948287 0.046218 Na\n0.948287 0.046219 0.334343 Na\n0.834370 0.546224 0.448290 Na\n0.448291 0.834369 0.546223 Na\n0.546224 0.448290 0.834369 Na\n0.046219 0.334343 0.948288 Na\n0.869724 0.198849 0.022679 O\n0.175631 0.652711 0.046527 O\n0.332580 0.365142 0.048666 O\n0.606225 0.860467 0.053953 O\n0.553948 0.360446 0.106259 O\n0.675636 0.546520 0.152724 O\n0.330357 0.700160 0.156170 O\n0.652711 0.046527 0.175631 O\n0.022680 0.869724 0.198848 O\n0.830342 0.656185 0.200178 O\n0.950517 0.299577 0.202869 O\n0.202869 0.950516 0.299578 O\n0.700160 0.156170 0.330357 O\n0.365143 0.048666 0.332580 O\n0.106259 0.553947 0.360446 O\n0.048666 0.332580 0.365143 O\n0.522688 0.698862 0.369715 O\n0.422372 0.422372 0.422372 O\n0.702866 0.799583 0.450524 O\n0.698862 0.369716 0.522687 O\n0.152724 0.675636 0.546520 O\n0.865150 0.832598 0.548674 O\n0.360447 0.106260 0.553946 O\n0.860467 0.053953 0.606225 O\n0.046528 0.175631 0.652711 O\n0.200179 0.830341 0.656185 O\n0.546520 0.152724 0.675636 O\n0.369716 0.522687 0.698861 O\n0.156170 0.330356 0.700161 O\n0.799584 0.450525 0.702865 O\n0.450524 0.702866 0.799584 O\n0.656185 0.200178 0.830341 O\n0.548674 0.865149 0.832598 O\n0.053953 0.606224 0.860467 O\n0.832598 0.548674 0.865149 O\n0.198848 0.022680 0.869723 O\n0.922373 0.922373 0.922373 O\n0.299577 0.202869 0.950516 O\n0.991004 0.699788 0.009729 Zn\n0.491002 0.509746 0.199770 Zn\n0.509746 0.199771 0.491001 Zn\n0.497530 0.497530 0.497530 Zn\n0.199771 0.491002 0.509746 Zn\n0.009730 0.991003 0.699788 Zn\n0.699789 0.009730 0.991003 Zn\n0.997500 0.997500 0.997500 Zn\n",
"nsites": 82,
"nelements": 5,
"elements": [
"As",
"H",
"Na",
"O",
"Zn"
],
"chemical_system": "As-H-Na-O-Zn",
"density": 3.3237052370590088,
"density_atomic": 0.09417004957344118,
"volume": 870.7651782220842,
"volume_molar": 6.394963990438875,
"formula_full": "Na6 Zn8 As6 H24 O38",
"formula_reduced": "Na3Zn4As3H12O19",
"formula_anonymous": "A3B3C4D12E19",
"formation_energy": -1.4998394795234482,
"spacegroup": 161
},
{
"id": "oqmd-686196",
"created_at": "2022-09-04T15:36:02.049855Z",
"updated_at": "2022-09-04T15:36:02.049886Z",
"structure_string": "Sb4 H36 C6 I18 N18\n1.0\n-4.986991 -7.578684 0.000000\n4.986991 -7.578684 0.000000\n0.000000 0.000000 20.436685\nC H I N Sb\n6 36 18 18 4\ndirect\n0.634976 0.634976 0.093568 C\n0.916777 0.916777 0.250000 C\n0.634976 0.634976 0.406432 C\n0.365024 0.365024 0.593568 C\n0.083223 0.083223 0.750000 C\n0.365024 0.365024 0.906432 C\n0.840081 0.664847 0.067318 H\n0.664847 0.840081 0.067318 H\n0.826147 0.415966 0.091584 H\n0.415966 0.826147 0.091584 H\n0.645417 0.408992 0.113925 H\n0.408992 0.645417 0.113925 H\n0.723345 0.135495 0.250000 H\n0.910315 0.146461 0.250000 H\n0.881803 0.706069 0.250000 H\n0.135495 0.723345 0.250000 H\n0.706069 0.881803 0.250000 H\n0.146461 0.910315 0.250000 H\n0.645417 0.408992 0.386075 H\n0.408992 0.645417 0.386075 H\n0.826147 0.415966 0.408416 H\n0.415966 0.826147 0.408416 H\n0.840081 0.664847 0.432683 H\n0.664847 0.840081 0.432683 H\n0.335152 0.159918 0.567318 H\n0.159918 0.335152 0.567318 H\n0.584034 0.173853 0.591584 H\n0.173853 0.584034 0.591584 H\n0.591008 0.354583 0.613925 H\n0.354583 0.591008 0.613925 H\n0.853538 0.089685 0.750000 H\n0.293931 0.118198 0.750000 H\n0.864505 0.276655 0.750000 H\n0.118198 0.293931 0.750000 H\n0.089685 0.853538 0.750000 H\n0.276655 0.864505 0.750000 H\n0.591008 0.354583 0.886075 H\n0.354583 0.591008 0.886075 H\n0.584034 0.173853 0.908416 H\n0.173853 0.584034 0.908416 H\n0.335152 0.159918 0.932683 H\n0.159918 0.335152 0.932683 H\n0.110645 0.110645 0.074494 I\n0.575089 0.150709 0.077149 I\n0.150709 0.575089 0.077149 I\n0.980202 0.399822 0.250000 I\n0.437477 0.437477 0.250000 I\n0.399822 0.980202 0.250000 I\n0.575089 0.150709 0.422851 I\n0.150709 0.575089 0.422851 I\n0.110645 0.110645 0.425506 I\n0.889355 0.889355 0.574494 I\n0.849291 0.424911 0.577149 I\n0.424911 0.849291 0.577149 I\n0.600178 0.019798 0.750000 I\n0.562522 0.562522 0.750000 I\n0.019798 0.600178 0.750000 I\n0.849291 0.424911 0.922851 I\n0.424911 0.849291 0.922851 I\n0.889355 0.889355 0.925506 I\n0.718220 0.718220 0.072798 N\n0.709558 0.477250 0.105015 N\n0.477250 0.709558 0.105015 N\n0.845073 0.076900 0.250000 N\n0.828751 0.828751 0.250000 N\n0.076900 0.845073 0.250000 N\n0.709558 0.477250 0.394985 N\n0.477250 0.709558 0.394985 N\n0.718220 0.718220 0.427203 N\n0.281779 0.281779 0.572797 N\n0.522751 0.290442 0.605014 N\n0.290442 0.522751 0.605014 N\n0.923099 0.154927 0.750000 N\n0.171249 0.171249 0.750000 N\n0.154927 0.923099 0.750000 N\n0.522751 0.290442 0.894986 N\n0.290442 0.522751 0.894986 N\n0.281779 0.281779 0.927203 N\n0.273687 0.273687 0.150001 Sb\n0.273687 0.273687 0.349999 Sb\n0.726313 0.726313 0.650001 Sb\n0.726313 0.726313 0.849999 Sb\n",
"nsites": 82,
"nelements": 5,
"elements": [
"C",
"H",
"I",
"N",
"Sb"
],
"chemical_system": "C-H-I-N-Sb",
"density": 3.36642584838013,
"density_atomic": 0.0530812354174066,
"volume": 1544.8020257100168,
"volume_molar": 11.34514054287666,
"formula_full": "Sb4 H36 C6 I18 N18",
"formula_reduced": "Sb2H18C3(IN)9",
"formula_anonymous": "A2B3C9D9E18",
"formation_energy": -0.43255567065272,
"spacegroup": 63
},
{
"id": "oqmd-686198",
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