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{
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"results": [
{
"id": "mp-1235580",
"created_at": "2022-09-04T14:47:56.521189Z",
"structure_string": "Ba1 Li1 V2 Ni3 H2 O10\n1.0\n0.009230 -5.971456 -0.003501\n4.821051 -2.978403 -1.812560\n5.440366 -3.004223 5.507764\nBa Li V Ni H O\n1 1 2 3 2 10\ndirect\n0.112902 0.299037 0.476656 Ba\n0.822283 0.680048 0.692252 Li\n0.537161 0.181299 0.745243 V\n0.453321 0.833559 0.255107 V\n0.991908 0.021911 0.994336 Ni\n0.990372 0.503701 0.012916 Ni\n0.495021 0.504572 0.010243 Ni\n0.258041 0.744859 0.737105 H\n0.765142 0.174637 0.292267 H\n0.170084 0.317672 0.805704 O\n0.708252 0.318504 0.803756 O\n0.799407 0.710411 0.201960 O\n0.285647 0.712335 0.198535 O\n0.659646 0.792555 0.891797 O\n0.318584 0.209117 0.153495 O\n0.366964 0.758473 0.493387 O\n0.668074 0.133027 0.530073 O\n0.191621 0.756789 0.861128 O\n0.801404 0.243328 0.152374 O\n",
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"density": 4.46586081907538,
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"formula_full": "Ba1 Li1 V2 Ni3 H2 O10",
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"spacegroup": 8
},
{
"id": "mp-1227826",
"created_at": "2022-09-04T14:47:30.514653Z",
"structure_string": "Ca4 Al5 Cr1 Si6 H2 O26\n1.0\n5.681717 0.000000 0.000000\n-0.011736 8.947767 0.000000\n-0.001279 -4.375011 9.279276\nCa Al Cr Si H O\n4 5 1 6 2 26\ndirect\n0.249521 0.240345 0.845480 Ca\n0.750479 0.759655 0.154520 Ca\n0.249765 0.391118 0.577334 Ca\n0.750235 0.608882 0.422666 Ca\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.751235 0.708857 0.774062 Al\n0.248765 0.291143 0.225938 Al\n0.500000 0.000000 0.000000 Cr\n0.750290 0.320101 0.725723 Si\n0.249710 0.679899 0.274277 Si\n0.249148 0.658905 0.950553 Si\n0.750852 0.341095 0.049447 Si\n0.248773 0.815349 0.683061 Si\n0.751227 0.184651 0.316939 Si\n0.751050 0.941564 0.675013 H\n0.248950 0.058436 0.324987 H\n0.750015 0.919008 0.572088 O\n0.249985 0.080992 0.427912 O\n0.247796 0.480791 0.819601 O\n0.752204 0.519209 0.180399 O\n0.513984 0.208827 0.657143 O\n0.014097 0.791240 0.343061 O\n0.486016 0.791173 0.342857 O\n0.985903 0.208760 0.656939 O\n0.242152 0.961201 0.854355 O\n0.757848 0.038799 0.145645 O\n0.486572 0.699811 0.650772 O\n0.986337 0.303460 0.351971 O\n0.513428 0.300189 0.349228 O\n0.013663 0.696540 0.648029 O\n0.500968 0.756290 0.951583 O\n0.994735 0.235650 0.044577 O\n0.499032 0.243710 0.048417 O\n0.005265 0.764350 0.955423 O\n0.250139 0.934636 0.595307 O\n0.749861 0.065364 0.404693 O\n0.750323 0.365475 0.899026 O\n0.249677 0.634525 0.100974 O\n0.750025 0.487023 0.701845 O\n0.249975 0.512977 0.298155 O\n0.762268 0.938528 0.861587 O\n0.237732 0.061472 0.138413 O\n",
"nsites": 44,
"nelements": 6,
"elements": [
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"Al",
"Cr",
"Si",
"H",
"O"
],
"chemical_system": "Al-Ca-Cr-H-O-Si",
"density": 3.286711782351996,
"density_atomic": 0.09327050309157797,
"volume": 471.7461420444837,
"volume_molar": 6.456640159951899,
"formula_full": "Ca4 Al5 Cr1 Si6 H2 O26",
"formula_reduced": "Ca4Al5CrSi6(HO13)2",
"formula_anonymous": "AB2C4D5E6F26",
"energy": -345.56354516,
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"updated_at": "2021-11-28T01:38:11.778000Z",
"spacegroup": 2
},
{
"id": "mp-1177412",
"created_at": "2022-09-04T14:47:59.539417Z",
"structure_string": "Li4 Mn3 Fe2 Sn1 P6 O24\n1.0\n8.591331 0.000000 0.000000\n3.894466 7.740066 0.000000\n3.909790 2.473226 7.371349\nLi Mn Fe Sn P O\n4 3 2 1 6 24\ndirect\n0.255218 0.646241 0.848413 Li\n0.706336 0.354124 0.151686 Li\n0.361114 0.148297 0.706923 Li\n0.147447 0.702838 0.361078 Li\n0.848628 0.850745 0.847028 Mn\n0.652405 0.650552 0.647867 Mn\n0.345739 0.342759 0.345539 Mn\n0.983538 0.996292 0.996214 Fe\n0.510127 0.500736 0.498063 Fe\n0.148249 0.148439 0.153403 Sn\n0.753784 0.055557 0.444904 P\n0.434219 0.749827 0.052401 P\n0.069326 0.450572 0.756882 P\n0.940635 0.559151 0.256387 P\n0.560010 0.252592 0.944066 P\n0.253125 0.943720 0.561855 P\n0.901228 0.499960 0.707608 O\n0.695370 0.902133 0.471217 O\n0.940700 0.739192 0.095180 O\n0.434646 0.695267 0.907886 O\n0.990865 0.395760 0.190490 O\n0.749171 0.568222 0.398028 O\n0.746445 0.101749 0.923277 O\n0.548936 0.409395 0.763234 O\n0.832581 0.016059 0.587202 O\n0.393237 0.749603 0.577169 O\n0.900725 0.091002 0.240565 O\n0.592441 0.817863 0.991987 O\n0.398771 0.179330 0.997641 O\n0.101560 0.925134 0.749164 O\n0.601329 0.247371 0.425684 O\n0.189833 0.991731 0.398181 O\n0.425970 0.597653 0.242716 O\n0.235015 0.902004 0.094656 O\n0.256114 0.425638 0.598524 O\n0.059053 0.587800 0.827381 O\n0.531735 0.318931 0.094003 O\n0.092552 0.246821 0.902580 O\n0.324798 0.091089 0.532378 O\n0.087028 0.524853 0.333540 O\n",
"nsites": 40,
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"elements": [
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"Mn",
"Fe",
"Sn",
"P",
"O"
],
"chemical_system": "Fe-Li-Mn-O-P-Sn",
"density": 3.363268469978409,
"density_atomic": 0.0816033339195102,
"volume": 490.1760513786627,
"volume_molar": 7.379772946458247,
"formula_full": "Li4 Mn3 Fe2 Sn1 P6 O24",
"formula_reduced": "Li4Mn3Fe2Sn(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -305.63409883,
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"updated_at": "2021-11-28T01:38:26.037000Z",
"spacegroup": 1
},
{
"id": "mp-774283",
"created_at": "2022-09-04T14:48:00.599849Z",
"structure_string": "Re8 H24 Pb4 C4 N8 O40\n1.0\n7.837640 0.000000 0.000000\n0.000000 10.796280 0.000000\n0.000000 2.832604 14.145490\nRe H Pb C N O\n8 24 4 4 8 40\ndirect\n0.251687 0.983178 0.591816 Re\n0.248313 0.983178 0.091816 Re\n0.389588 0.503776 0.734953 Re\n0.110412 0.503776 0.234953 Re\n0.889588 0.496224 0.765047 Re\n0.610412 0.496224 0.265047 Re\n0.751687 0.016822 0.908184 Re\n0.748313 0.016822 0.408184 Re\n0.109068 0.836223 0.770225 H\n0.614833 0.857714 0.671631 H\n0.392953 0.802270 0.816270 H\n0.810937 0.853481 0.647766 H\n0.953333 0.739797 0.829944 H\n0.444677 0.696411 0.919828 H\n0.390932 0.836223 0.270225 H\n0.885167 0.857714 0.171631 H\n0.107047 0.802270 0.316270 H\n0.689063 0.853481 0.147766 H\n0.546667 0.739797 0.329944 H\n0.055323 0.696411 0.419828 H\n0.944677 0.303589 0.580172 H\n0.453333 0.260203 0.670056 H\n0.310937 0.146519 0.852234 H\n0.892953 0.197730 0.683730 H\n0.114833 0.142286 0.828369 H\n0.609068 0.163777 0.729775 H\n0.555323 0.303589 0.080172 H\n0.046667 0.260203 0.170056 H\n0.189063 0.146519 0.352234 H\n0.607047 0.197730 0.183730 H\n0.385167 0.142286 0.328369 H\n0.890932 0.163777 0.229775 H\n0.660347 0.642422 0.538358 Pb\n0.839653 0.642422 0.038358 Pb\n0.160347 0.357578 0.961642 Pb\n0.339653 0.357578 0.461642 Pb\n0.189166 0.709875 0.889580 C\n0.310834 0.709875 0.389580 C\n0.689166 0.290125 0.610420 C\n0.810834 0.290125 0.110420 C\n0.073954 0.774381 0.829475 N\n0.354881 0.740537 0.875204 N\n0.426046 0.774381 0.329475 N\n0.145119 0.740537 0.375204 N\n0.854881 0.259463 0.624796 N\n0.573954 0.225619 0.670525 N\n0.645119 0.259463 0.124796 N\n0.926046 0.225619 0.170525 N\n0.387418 0.945635 0.690448 O\n0.048538 0.919620 0.622459 O\n0.732488 0.850182 0.942492 O\n0.335555 0.919810 0.500140 O\n0.112582 0.945635 0.190448 O\n0.708108 0.800641 0.662180 O\n0.451462 0.919620 0.122459 O\n0.767512 0.850182 0.442492 O\n0.164445 0.919810 0.000140 O\n0.791892 0.800641 0.162180 O\n0.140837 0.622937 0.959292 O\n0.338727 0.661188 0.690829 O\n0.798786 0.592660 0.837334 O\n0.908149 0.551484 0.640713 O\n0.359163 0.622937 0.459292 O\n0.161273 0.661188 0.190829 O\n0.609440 0.502944 0.703353 O\n0.701214 0.592660 0.337334 O\n0.109440 0.497056 0.796647 O\n0.591851 0.551484 0.140713 O\n0.408149 0.448516 0.859287 O\n0.890560 0.502944 0.203353 O\n0.298786 0.407340 0.662666 O\n0.390560 0.497056 0.296647 O\n0.838727 0.338812 0.809171 O\n0.640837 0.377063 0.540708 O\n0.091851 0.448516 0.359287 O\n0.201214 0.407340 0.162666 O\n0.661273 0.338812 0.309171 O\n0.859163 0.377063 0.040708 O\n0.208108 0.199359 0.837820 O\n0.835555 0.080190 0.999860 O\n0.232488 0.149818 0.557508 O\n0.548538 0.080380 0.877541 O\n0.291892 0.199359 0.337820 O\n0.887418 0.054365 0.809552 O\n0.664445 0.080190 0.499860 O\n0.267512 0.149818 0.057508 O\n0.951462 0.080380 0.377541 O\n0.612582 0.054365 0.309552 O\n",
"nsites": 88,
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"elements": [
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"H",
"Pb",
"C",
"N",
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],
"chemical_system": "C-H-N-O-Pb-Re",
"density": 4.359906705254607,
"density_atomic": 0.07351995375989466,
"volume": 1196.9539628302139,
"volume_molar": 8.19116505386745,
"formula_full": "Re8 H24 Pb4 C4 N8 O40",
"formula_reduced": "Re2H6PbC(NO5)2",
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"energy": -623.85647398,
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"updated_at": "2021-11-28T01:38:31.078000Z",
"spacegroup": 14
},
{
"id": "mp-1201788",
"created_at": "2022-09-04T14:47:59.951198Z",
"structure_string": "Na2 U2 Co1 H8 C12 O28\n1.0\n6.502846 0.029274 0.573983\n2.814104 7.134360 1.962943\n0.069263 -0.041576 13.005328\nNa U Co H C O\n2 2 1 8 12 28\ndirect\n0.747185 0.838437 0.791064 Na\n0.252815 0.161563 0.208936 Na\n0.763223 0.337473 0.803450 U\n0.236777 0.662527 0.196550 U\n0.500000 0.000000 0.500000 Co\n0.916100 0.852219 0.575546 H\n0.083900 0.147781 0.424454 H\n0.806242 0.060583 0.593692 H\n0.193758 0.939416 0.406308 H\n0.751033 0.978471 0.319080 H\n0.248967 0.021529 0.680920 H\n0.647873 0.193324 0.325582 H\n0.352127 0.806676 0.674418 H\n0.309217 0.249935 0.773947 C\n0.690783 0.750065 0.226053 C\n0.215252 0.455085 0.780759 C\n0.784748 0.544915 0.219241 C\n0.803389 0.386971 0.543579 C\n0.196611 0.613029 0.456421 C\n0.696630 0.590288 0.560613 C\n0.303370 0.409712 0.439387 C\n0.524367 0.589824 0.978807 C\n0.475633 0.410176 0.021194 C\n0.973518 0.932151 0.975157 C\n0.026482 0.067849 0.024843 C\n0.169384 0.176789 0.766670 O\n0.830616 0.823211 0.233330 O\n0.007288 0.528426 0.789871 O\n0.992712 0.471574 0.210129 O\n0.353492 0.533705 0.776051 O\n0.646508 0.466295 0.223949 O\n0.517485 0.169160 0.774724 O\n0.482515 0.830840 0.225276 O\n0.821976 0.261641 0.631969 O\n0.178024 0.738359 0.368031 O\n0.680703 0.598703 0.658244 O\n0.319297 0.401297 0.341756 O\n0.633141 0.728684 0.482907 O\n0.366859 0.271316 0.517093 O\n0.861084 0.355491 0.454805 O\n0.138916 0.644509 0.545195 O\n0.631152 0.599624 0.892058 O\n0.368848 0.400376 0.107942 O\n0.456525 0.713004 0.032551 O\n0.543475 0.286996 0.967449 O\n0.889115 0.999321 0.882363 O\n0.110885 0.000679 0.117637 O\n0.015924 0.767271 0.029070 O\n0.984076 0.232729 0.970930 O\n0.778082 0.944518 0.598141 O\n0.221918 0.055482 0.401859 O\n0.692595 0.064241 0.368058 O\n0.307405 0.935759 0.631942 O\n",
"nsites": 53,
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],
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"density": 3.2554575055352677,
"density_atomic": 0.08797015139237878,
"volume": 602.4770807043491,
"volume_molar": 6.8456637446706985,
"formula_full": "Na2 U2 Co1 H8 C12 O28",
"formula_reduced": "Na2U2CoH8(C3O7)4",
"formula_anonymous": "AB2C2D8E12F28",
"energy": -401.16709242,
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"spacegroup": 2
},
{
"id": "mp-1104248",
"created_at": "2022-09-04T14:48:02.040351Z",
"structure_string": "Cd1 H6 C2 I2 N2 O2\n1.0\n4.257829 0.059095 -0.389475\n-0.701744 7.114698 -3.363406\n0.026086 0.001709 8.444880\nCd H C I N O\n1 6 2 2 2 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.631038 0.367992 0.031044 H\n0.368962 0.632008 0.968956 H\n0.778566 0.151594 0.904722 H\n0.221434 0.848406 0.095278 H\n0.704381 0.185928 0.645757 H\n0.295619 0.814072 0.354243 H\n0.638021 0.298712 0.767312 C\n0.361979 0.701288 0.232688 C\n0.953674 0.214386 0.331111 I\n0.046326 0.785614 0.668889 I\n0.688186 0.271438 0.911603 N\n0.311814 0.728562 0.088397 N\n0.525238 0.442885 0.764410 O\n0.474762 0.557115 0.235590 O\n",
"nsites": 15,
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"elements": [
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"C",
"I",
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],
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"volume": 256.2644102935012,
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"formula_full": "Cd1 H6 C2 I2 N2 O2",
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},
{
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