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{
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"results": [
{
"id": "mp-1178389",
"created_at": "2022-09-04T14:44:09.571329Z",
"structure_string": "Fe2 Co3 Sb3 O16\n1.0\n3.005193 5.120899 0.000000\n-3.005193 5.120899 0.000000\n0.000000 0.161458 9.021238\nFe Co Sb O\n2 3 3 16\ndirect\n0.673749 0.673749 0.497151 Fe\n0.341675 0.341675 0.980449 Fe\n0.832272 0.832272 0.203367 Co\n0.664838 0.165249 0.711788 Co\n0.165249 0.664838 0.711788 Co\n0.829128 0.334466 0.211181 Sb\n0.334466 0.829128 0.211181 Sb\n0.164666 0.164666 0.712883 Sb\n0.827067 0.325469 0.604903 O\n0.513452 0.513452 0.344041 O\n0.674010 0.674010 0.092322 O\n0.988827 0.988827 0.317700 O\n0.990264 0.990264 0.819664 O\n0.325469 0.827067 0.604903 O\n0.957961 0.516193 0.339925 O\n0.516193 0.957961 0.339925 O\n0.168640 0.168640 0.095799 O\n0.839900 0.839900 0.614692 O\n0.486919 0.049442 0.840173 O\n0.049442 0.486919 0.840173 O\n0.340007 0.340007 0.602337 O\n0.665570 0.173033 0.095738 O\n0.477299 0.477299 0.826022 O\n0.173033 0.665570 0.095738 O\n",
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},
{
"id": "mp-1639830",
"created_at": "2022-09-04T14:44:10.071865Z",
"structure_string": "Li4 Fe2 Co4 O12\n1.0\n2.570145 4.453686 0.001737\n-0.006928 0.007614 10.130739\n5.031251 0.077567 -0.003278\nLi Fe Co O\n4 2 4 12\ndirect\n0.149774 0.749385 0.493256 Li\n0.355926 0.251155 0.495111 Li\n0.650299 0.750320 0.491522 Li\n0.857215 0.248715 0.493072 Li\n0.001523 0.999880 0.996578 Fe\n0.500321 0.500343 0.995891 Fe\n0.332817 0.000096 0.334527 Co\n0.833823 0.499746 0.334309 Co\n0.160505 0.499688 0.677929 Co\n0.660782 0.000022 0.678205 Co\n0.150354 0.596855 0.009597 O\n0.341508 0.096277 0.008946 O\n0.650060 0.903666 0.008124 O\n0.843564 0.404496 0.006909 O\n0.996495 0.900041 0.353246 O\n0.149030 0.399605 0.353391 O\n0.494964 0.599718 0.353889 O\n0.649631 0.100170 0.354055 O\n0.035838 0.110068 0.641416 O\n0.323704 0.890048 0.639794 O\n0.536787 0.389941 0.640956 O\n0.825081 0.609764 0.639277 O\n",
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"elements": [
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],
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"volume": 224.98578915578122,
"volume_molar": 6.158618596799073,
"formula_full": "Li4 Fe2 Co4 O12",
"formula_reduced": "Li2Fe(CoO3)2",
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"updated_at": "2021-11-28T01:36:26.865000Z",
"spacegroup": 41
},
{
"id": "mp-859123",
"created_at": "2022-09-04T14:45:00.395323Z",
"structure_string": "Li4 Ni6 P8 O28\n1.0\n7.265791 0.000000 0.000000\n0.000000 6.383596 0.000000\n0.000000 1.070229 13.060442\nLi Ni P O\n4 6 8 28\ndirect\n0.690943 0.537844 0.971047 Li\n0.754961 0.068491 0.600334 Li\n0.254961 0.931509 0.399666 Li\n0.190943 0.462156 0.028953 Li\n0.988566 0.814689 0.902335 Ni\n0.388090 0.276968 0.724888 Ni\n0.892036 0.578415 0.601450 Ni\n0.392036 0.421585 0.398550 Ni\n0.888090 0.723032 0.275112 Ni\n0.488566 0.185311 0.097665 Ni\n0.689514 0.081963 0.885830 P\n0.014880 0.354391 0.831924 P\n0.204884 0.859191 0.693492 P\n0.486505 0.628992 0.579040 P\n0.986505 0.371008 0.420960 P\n0.704884 0.140809 0.306508 P\n0.514880 0.645609 0.168076 P\n0.189514 0.918037 0.114170 P\n0.616166 0.227377 0.963368 O\n0.705945 0.847796 0.921321 O\n0.916284 0.131653 0.875837 O\n0.946048 0.504709 0.910362 O\n0.221522 0.319483 0.841596 O\n0.611569 0.131819 0.779121 O\n0.195447 0.839158 0.809214 O\n0.943307 0.395489 0.723854 O\n0.342738 0.660954 0.671355 O\n0.520142 0.390814 0.595155 O\n0.300491 0.055059 0.645573 O\n0.662563 0.756979 0.594069 O\n0.021858 0.827959 0.637979 O\n0.389103 0.686681 0.476507 O\n0.889103 0.313319 0.523493 O\n0.521858 0.172041 0.362021 O\n0.162563 0.243021 0.405931 O\n0.800491 0.944941 0.354427 O\n0.020142 0.609186 0.404845 O\n0.842738 0.339046 0.328645 O\n0.443307 0.604511 0.276146 O\n0.695447 0.160842 0.190786 O\n0.111569 0.868181 0.220879 O\n0.721522 0.680517 0.158404 O\n0.446048 0.495291 0.089638 O\n0.416284 0.868347 0.124163 O\n0.205945 0.152204 0.078679 O\n0.116166 0.772623 0.036632 O\n",
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"formula_full": "Li4 Ni6 P8 O28",
"formula_reduced": "Li2Ni3(P2O7)2",
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"spacegroup": 4
},
{
"id": "mp-556821",
"created_at": "2022-09-04T14:46:01.483036Z",
"structure_string": "Rb2 Eu2 S4 O16\n1.0\n2.751558 6.904290 0.000000\n-2.751558 6.904290 0.000000\n0.000000 2.102512 9.493319\nRb Eu S O\n2 2 4 16\ndirect\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 Rb\n0.178420 0.821580 0.750000 Eu\n0.821580 0.178420 0.250000 Eu\n0.649558 0.175200 0.612635 S\n0.175200 0.649558 0.112635 S\n0.350442 0.824800 0.387365 S\n0.824800 0.350442 0.887365 S\n0.786239 0.175349 0.907812 O\n0.609551 0.603458 0.316851 O\n0.390449 0.396542 0.683149 O\n0.159020 0.607202 0.973729 O\n0.840980 0.392798 0.026271 O\n0.922337 0.787129 0.201682 O\n0.077663 0.212871 0.798318 O\n0.213761 0.824651 0.092188 O\n0.175349 0.786239 0.407812 O\n0.787129 0.922337 0.701682 O\n0.212871 0.077663 0.298318 O\n0.607202 0.159020 0.473729 O\n0.603458 0.609551 0.816851 O\n0.396542 0.390449 0.183149 O\n0.824651 0.213761 0.592188 O\n0.392798 0.840980 0.526271 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.955069569614021,
"density_atomic": 0.06653734616464657,
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"formula_full": "Rb2 Eu2 S4 O16",
"formula_reduced": "RbEu(SO4)2",
"formula_anonymous": "ABC2D8",
"energy": -175.43805503,
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{
"id": "mp-778108",
"created_at": "2022-09-04T14:43:13.510109Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n4.867677 -8.322723 -0.008976\n4.836056 8.304002 -0.008556\n-2.276185 0.004483 6.677314\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.158387 0.019007 0.675919 Li\n0.729801 0.090386 0.323982 Li\n0.233445 0.593617 0.326465 Li\n0.655745 0.517535 0.672721 Li\n0.394299 0.392983 0.269137 Mn\n0.358016 0.857149 0.730532 Mn\n0.857234 0.356305 0.727383 V\n0.893003 0.892217 0.272315 V\n0.110836 0.291492 0.521954 P\n0.750299 0.033685 0.912481 P\n0.250332 0.539031 0.911748 P\n0.460558 0.139092 0.482555 P\n0.609034 0.788265 0.517581 P\n0.714089 0.497475 0.086013 P\n0.214213 0.000794 0.089669 P\n0.960206 0.639981 0.477950 P\n0.074430 0.113232 0.484848 O\n0.361122 0.032482 0.609356 O\n0.582500 0.015208 0.915021 O\n0.081981 0.518462 0.909742 O\n0.222378 0.378388 0.753219 O\n0.373718 0.029271 0.249875 O\n0.234955 0.171105 0.091293 O\n0.212589 0.390513 0.392887 O\n0.454478 0.295851 0.504319 O\n0.137954 0.675502 0.517981 O\n0.637255 0.173385 0.517183 O\n0.861726 0.187310 0.851328 O\n0.363874 0.693165 0.850050 O\n0.212858 0.915631 0.887776 O\n0.721642 0.415749 0.887094 O\n0.334445 0.537871 0.112424 O\n0.835568 0.029859 0.111989 O\n0.062551 0.889928 0.153652 O\n0.559308 0.383142 0.143801 O\n0.575667 0.610229 0.478922 O\n0.452384 0.793229 0.496896 O\n0.952070 0.294997 0.507995 O\n0.859289 0.535453 0.603988 O\n0.719167 0.873583 0.749857 O\n0.875031 0.528049 0.247164 O\n0.733355 0.665881 0.085032 O\n0.717769 0.891354 0.395673 O\n0.954862 0.797738 0.492231 O\n",
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"formula_full": "Li4 Mn2 V2 P8 O28",
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{
"id": "mp-1100842",
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"structure_string": "Yb2 V8 O16\n1.0\n5.050230 0.000000 0.000000\n0.000000 8.177672 0.244064\n0.000000 0.326917 8.164177\nYb V O\n2 8 16\ndirect\n0.373356 0.307572 0.379185 Yb\n0.873356 0.692428 0.620815 Yb\n0.376516 0.133855 0.045661 V\n0.383672 0.994999 0.647267 V\n0.379705 0.673532 0.400982 V\n0.337292 0.499457 0.801300 V\n0.837292 0.500543 0.198700 V\n0.879705 0.326468 0.599018 V\n0.883672 0.005001 0.352733 V\n0.876516 0.866145 0.954339 V\n0.184800 0.988791 0.916247 O\n0.172604 0.180555 0.607463 O\n0.183034 0.544701 0.253381 O\n0.183341 0.856181 0.502103 O\n0.187178 0.106115 0.237580 O\n0.192770 0.496240 0.583109 O\n0.168452 0.677351 0.841772 O\n0.251031 0.319620 0.938144 O\n0.687178 0.893885 0.762420 O\n0.683341 0.143819 0.497897 O\n0.668452 0.322649 0.158228 O\n0.692770 0.503760 0.416891 O\n0.683034 0.455299 0.746619 O\n0.672604 0.819445 0.392537 O\n0.751031 0.680380 0.061856 O\n0.684800 0.011209 0.083753 O\n",
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{
"id": "mp-775943",
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"structure_string": "Li3 V6 O3 F15\n1.0\n-5.169121 0.000000 0.000000\n2.539057 4.567498 0.000000\n-0.030201 -0.101193 -13.826502\nLi V O F\n3 6 3 15\ndirect\n0.002478 0.983438 0.237907 Li\n0.350085 0.690187 0.609364 Li\n0.698828 0.354605 0.895971 Li\n0.014606 0.986947 0.997298 V\n0.312303 0.663113 0.330295 V\n0.324657 0.670675 0.839650 V\n0.666869 0.317927 0.659596 V\n0.691869 0.350419 0.171344 V\n0.979157 0.004521 0.501821 V\n0.058282 0.719130 0.918365 O\n0.712610 0.049589 0.582758 O\n0.001747 0.616045 0.249099 O\n0.268034 0.952081 0.417691 F\n0.048190 0.333484 0.415828 F\n0.376549 0.973255 0.743482 F\n0.639205 0.989209 0.251289 F\n0.329359 0.343385 0.916128 F\n0.334666 0.320330 0.584301 F\n0.360398 0.349396 0.250037 F\n0.687159 0.987040 0.914964 F\n0.653235 0.714853 0.414937 F\n0.595112 0.594480 0.749316 F\n0.332468 0.060193 0.089952 F\n0.720007 0.676476 0.085862 F\n0.980048 0.678836 0.583543 F\n0.940942 0.271642 0.079282 F\n0.977189 0.378947 0.756741 F\n",
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{
"id": "mp-759102",
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"structure_string": "Li12 V8 O16 F8\n1.0\n5.952735 0.000000 0.000000\n2.921525 5.214138 0.000000\n1.366163 2.368386 14.921298\nLi V O F\n12 8 16 8\ndirect\n0.140967 0.795210 0.835720 Li\n0.710677 0.215988 0.836344 Li\n0.329844 0.466471 0.712632 Li\n0.165998 0.500930 0.336260 Li\n0.475513 0.022870 0.956326 Li\n0.673078 0.760833 0.824224 Li\n0.665083 0.010987 0.333468 Li\n0.000781 0.497112 0.954534 Li\n0.330337 0.998760 0.700508 Li\n0.150832 0.013478 0.333397 Li\n0.502811 0.514747 0.973902 Li\n0.855757 0.466834 0.704533 Li\n0.502715 0.254323 0.503047 V\n0.999053 0.753227 0.507496 V\n0.331093 0.252117 0.164909 V\n0.501650 0.751414 0.491346 V\n0.833208 0.747701 0.167984 V\n0.001179 0.251740 0.497855 V\n0.335905 0.749694 0.169939 V\n0.830360 0.249913 0.166689 V\n0.317890 0.616648 0.427670 O\n0.179027 0.592916 0.103505 O\n0.170508 0.384592 0.570155 O\n0.503986 0.372526 0.240596 O\n0.833641 0.103776 0.428531 O\n0.656938 0.892126 0.563622 O\n0.671978 0.124714 0.100712 O\n0.998042 0.883439 0.243696 O\n0.335184 0.131698 0.422542 O\n0.160920 0.119573 0.100781 O\n0.168954 0.878106 0.563964 O\n0.488917 0.910054 0.239613 O\n0.849051 0.624324 0.428440 O\n0.657761 0.381875 0.563495 O\n0.668273 0.607863 0.102186 O\n0.004588 0.367897 0.240045 O\n0.340543 0.374173 0.924014 F\n0.508370 0.120268 0.754253 F\n0.822264 0.863968 0.910810 F\n0.998673 0.631617 0.751100 F\n0.351511 0.845463 0.912027 F\n0.504877 0.630978 0.744744 F\n0.801567 0.397000 0.908788 F\n0.003028 0.120057 0.750266 F\n",
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{
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