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{
"id": "mp-1220935",
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{
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"updated_at": "2021-11-28T01:36:43.853000Z",
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},
{
"id": "mp-1207661",
"created_at": "2022-09-04T14:44:26.771462Z",
"structure_string": "Zn20 Co2 B16 Rh36\n1.0\n17.914220 0.000000 0.000000\n0.000000 17.914220 0.000000\n0.000000 0.000000 2.878695\nZn Co B Rh\n20 2 16 36\ndirect\n0.550056 0.050056 0.000000 Zn\n0.449944 0.949944 0.000000 Zn\n0.050056 0.449944 0.000000 Zn\n0.949944 0.550056 0.000000 Zn\n0.031779 0.187529 0.000000 Zn\n0.968221 0.812471 0.000000 Zn\n0.187529 0.968221 0.000000 Zn\n0.531779 0.312471 0.000000 Zn\n0.812471 0.031779 0.000000 Zn\n0.468221 0.687529 0.000000 Zn\n0.687529 0.531779 0.000000 Zn\n0.312471 0.468221 0.000000 Zn\n0.209418 0.709418 0.000000 Zn\n0.790582 0.290582 0.000000 Zn\n0.709418 0.790582 0.000000 Zn\n0.290582 0.209418 0.000000 Zn\n0.668919 0.168919 0.000000 Zn\n0.331081 0.831081 0.000000 Zn\n0.168919 0.331081 0.000000 Zn\n0.831081 0.668919 0.000000 Zn\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.334099 0.038830 0.000000 B\n0.665901 0.961170 0.000000 B\n0.038830 0.665901 0.000000 B\n0.834099 0.461170 0.000000 B\n0.961170 0.334099 0.000000 B\n0.165901 0.538830 0.000000 B\n0.538830 0.834099 0.000000 B\n0.461170 0.165901 0.000000 B\n0.166619 0.124135 0.000000 B\n0.833381 0.875865 0.000000 B\n0.124135 0.833381 0.000000 B\n0.666619 0.375865 0.000000 B\n0.875865 0.166619 0.000000 B\n0.333381 0.624135 0.000000 B\n0.624135 0.666619 0.000000 B\n0.375865 0.333381 0.000000 B\n0.255190 0.087601 0.500000 Rh\n0.744810 0.912399 0.500000 Rh\n0.087601 0.744810 0.500000 Rh\n0.755190 0.412399 0.500000 Rh\n0.912399 0.255190 0.500000 Rh\n0.244810 0.587601 0.500000 Rh\n0.587601 0.755190 0.500000 Rh\n0.412399 0.244810 0.500000 Rh\n0.047768 0.326090 0.500000 Rh\n0.952232 0.673910 0.500000 Rh\n0.326090 0.952232 0.500000 Rh\n0.547768 0.173910 0.500000 Rh\n0.673910 0.047768 0.500000 Rh\n0.452232 0.826090 0.500000 Rh\n0.826090 0.547768 0.500000 Rh\n0.173910 0.452232 0.500000 Rh\n0.159723 0.210911 0.500000 Rh\n0.840277 0.789089 0.500000 Rh\n0.210911 0.840277 0.500000 Rh\n0.659723 0.289089 0.500000 Rh\n0.789089 0.159723 0.500000 Rh\n0.340277 0.710911 0.500000 Rh\n0.710911 0.659723 0.500000 Rh\n0.289089 0.340277 0.500000 Rh\n0.098783 0.066755 0.500000 Rh\n0.901217 0.933245 0.500000 Rh\n0.066755 0.901217 0.500000 Rh\n0.598783 0.433245 0.500000 Rh\n0.933245 0.098783 0.500000 Rh\n0.401217 0.566755 0.500000 Rh\n0.566755 0.598783 0.500000 Rh\n0.433245 0.401217 0.500000 Rh\n0.082478 0.582478 0.500000 Rh\n0.917522 0.417522 0.500000 Rh\n0.582478 0.917522 0.500000 Rh\n0.417522 0.082478 0.500000 Rh\n",
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"formula_full": "Zn20 Co2 B16 Rh36",
"formula_reduced": "Zn10Co(B4Rh9)2",
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"spacegroup": 127
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{
"id": "mp-779077",
"created_at": "2022-09-04T14:44:27.073775Z",
"structure_string": "Li24 Ti1 Cr11 O36\n1.0\n5.088218 0.000000 0.000000\n-1.038110 10.544011 0.000000\n-1.535312 -5.249648 11.864894\nLi Ti Cr O\n24 1 11 36\ndirect\n0.771448 0.060505 0.059226 Li\n0.665770 0.333126 0.083519 Li\n0.888432 0.272606 0.273176 Li\n0.335239 0.166319 0.167295 Li\n0.551896 0.605654 0.105983 Li\n0.999681 0.001015 0.249979 Li\n0.998971 0.500594 0.000006 Li\n0.779801 0.060569 0.559592 Li\n0.449968 0.392762 0.393662 Li\n0.667465 0.332651 0.583540 Li\n0.667531 0.834230 0.333948 Li\n0.113104 0.728222 0.227341 Li\n0.885101 0.272602 0.772917 Li\n0.331984 0.166292 0.667325 Li\n0.333236 0.667782 0.416924 Li\n0.550851 0.606660 0.606596 Li\n0.000018 0.500045 0.500213 Li\n0.220025 0.940142 0.440150 Li\n0.453076 0.392247 0.893171 Li\n0.670376 0.835271 0.834041 Li\n0.113147 0.726312 0.726455 Li\n0.333379 0.666375 0.916532 Li\n0.997696 0.999339 0.748633 Li\n0.219373 0.939664 0.940369 Li\n0.110546 0.221084 0.974631 Ti\n0.889624 0.780497 0.031151 Cr\n0.557582 0.113935 0.363873 Cr\n0.777533 0.553018 0.302383 Cr\n0.225464 0.449678 0.199286 Cr\n0.442513 0.885495 0.135412 Cr\n0.111461 0.219921 0.469289 Cr\n0.891902 0.780131 0.530390 Cr\n0.549604 0.109821 0.859962 Cr\n0.776314 0.553071 0.802174 Cr\n0.223300 0.447114 0.698185 Cr\n0.445970 0.885935 0.633836 Cr\n0.423825 0.139661 0.004502 O\n0.643021 0.075706 0.211994 O\n0.901568 0.529844 0.167125 O\n0.309637 0.412435 0.046926 O\n0.885730 0.046131 0.408769 O\n0.023792 0.258246 0.124160 O\n0.553414 0.379937 0.242640 O\n0.782089 0.287727 0.424745 O\n0.765710 0.803687 0.166522 O\n0.235956 0.195600 0.333100 O\n0.219145 0.712000 0.075426 O\n0.447905 0.622534 0.259154 O\n0.431312 0.137517 0.499545 O\n0.976466 0.743000 0.378565 O\n0.113324 0.953798 0.091006 O\n0.692496 0.590699 0.454246 O\n0.100571 0.471791 0.334043 O\n0.642512 0.073771 0.708535 O\n0.358833 0.924143 0.287738 O\n0.900495 0.529212 0.666701 O\n0.307733 0.409195 0.545567 O\n0.872627 0.042038 0.904377 O\n0.023971 0.257469 0.621564 O\n0.568679 0.861401 0.498564 O\n0.552963 0.379301 0.742171 O\n0.784336 0.288340 0.926092 O\n0.764506 0.803482 0.665613 O\n0.247166 0.191924 0.829922 O\n0.218930 0.712667 0.575734 O\n0.446586 0.621169 0.757846 O\n0.975563 0.742497 0.878814 O\n0.115173 0.953580 0.590684 O\n0.690933 0.590608 0.954217 O\n0.099071 0.470650 0.833449 O\n0.357693 0.925347 0.788644 O\n0.566887 0.862210 0.000130 O\n",
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"volume": 636.5542512388366,
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"formula_full": "Li24 Ti1 Cr11 O36",
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{
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"structure_string": "Na2 V4 O8\n1.0\n-0.042224 0.000118 5.191929\n-0.000018 5.944167 0.000321\n-5.709373 -2.972060 -1.586145\nNa V O\n2 4 8\ndirect\n0.749983 0.692842 0.003512 Na\n0.250069 0.310406 0.003519 Na\n0.753353 0.619824 0.492889 V\n0.748303 0.127718 0.505947 V\n0.248257 0.378302 0.505984 V\n0.253422 0.873095 0.492735 V\n0.034046 0.528639 0.311070 O\n0.473737 0.225291 0.689170 O\n0.973680 0.463816 0.689075 O\n0.534112 0.782432 0.310953 O\n0.460010 0.696890 0.674511 O\n0.030511 0.053770 0.323017 O\n0.530433 0.269313 0.323099 O\n0.960085 0.977661 0.674518 O\n",
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{
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"structure_string": "Au2 Cl2 O4\n1.0\n10.262513 2.591659 0.000000\n-10.262513 2.591659 0.000000\n0.000000 0.457594 3.417479\nAu Cl O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.659120 0.340880 0.750000 Cl\n0.340880 0.659120 0.250000 Cl\n0.846610 0.913650 0.773890 O\n0.086350 0.153390 0.726110 O\n0.913650 0.846610 0.273890 O\n0.153390 0.086350 0.226110 O\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.130834 0.000000 0.000000\n-1.625083 5.595428 0.000000\n-0.842045 -1.777937 7.502439\nLi Mn Co O\n7 2 3 12\ndirect\n0.508149 0.087128 0.814740 Li\n0.505290 0.582005 0.823782 Li\n0.501285 0.252818 0.506623 Li\n0.506888 0.753204 0.502364 Li\n0.491020 0.413851 0.176380 Li\n0.491730 0.914126 0.173343 Li\n0.998974 0.166807 0.666697 Li\n0.002202 0.000199 0.997141 Mn\n0.996871 0.494715 0.996828 Mn\n0.995905 0.657099 0.660219 Co\n0.993539 0.327777 0.344767 Co\n0.012584 0.843805 0.351099 Co\n0.223464 0.784493 0.925609 O\n0.222249 0.286926 0.929293 O\n0.241062 0.950699 0.569818 O\n0.233959 0.472279 0.583652 O\n0.224472 0.114297 0.236767 O\n0.212699 0.603053 0.238494 O\n0.770387 0.389245 0.766318 O\n0.784515 0.874547 0.763023 O\n0.757325 0.549518 0.417660 O\n0.761401 0.053300 0.403161 O\n0.786614 0.717422 0.081792 O\n0.777415 0.210687 0.070432 O\n",
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{
"id": "mp-753871",
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"structure_string": "Li2 V4 P4 O16\n1.0\n9.083488 -0.000503 0.000070\n-0.000352 6.430733 -0.002125\n0.000038 -0.001644 4.936327\nLi V P O\n2 4 4 16\ndirect\n0.332924 0.250001 0.965024 Li\n0.832971 0.249781 0.534978 Li\n0.999488 0.987460 0.999505 V\n0.999466 0.512707 0.999750 V\n0.499497 0.987560 0.500567 V\n0.499397 0.512627 0.500299 V\n0.175355 0.249971 0.472991 P\n0.323997 0.750118 0.986691 P\n0.675379 0.249877 0.026995 P\n0.823977 0.750030 0.513313 P\n0.119968 0.053892 0.334548 O\n0.119889 0.445822 0.334678 O\n0.127840 0.249805 0.782406 O\n0.152168 0.750052 0.956994 O\n0.350940 0.250054 0.444186 O\n0.379239 0.749899 0.287499 O\n0.378089 0.549529 0.848343 O\n0.378077 0.950871 0.848974 O\n0.619979 0.053908 0.165308 O\n0.619925 0.445869 0.165427 O\n0.627872 0.249907 0.717537 O\n0.652151 0.750009 0.543042 O\n0.850962 0.249952 0.055830 O\n0.879210 0.750256 0.212441 O\n0.878074 0.549345 0.651083 O\n0.878050 0.950697 0.651592 O\n",
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{
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{
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{
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{
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"structure_string": "Ca6 Sn6 S18\n1.0\n3.410931 -6.424711 0.000000\n3.410931 6.424711 0.000000\n0.000000 0.000000 17.737150\nCa Sn S\n6 6 18\ndirect\n0.067728 0.932272 0.250000 Ca\n0.932272 0.067728 0.750000 Ca\n0.698762 0.301238 0.431111 Ca\n0.301238 0.698762 0.568889 Ca\n0.301238 0.698762 0.931111 Ca\n0.698762 0.301238 0.068889 Ca\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.655836 0.344164 0.660254 Sn\n0.344164 0.655836 0.339746 Sn\n0.344164 0.655836 0.160254 Sn\n0.655836 0.344164 0.839746 Sn\n0.010784 0.492986 0.250000 S\n0.501095 0.498905 0.250000 S\n0.507014 0.989216 0.250000 S\n0.989216 0.507014 0.750000 S\n0.498905 0.501095 0.750000 S\n0.492986 0.010784 0.750000 S\n0.611138 0.873919 0.446158 S\n0.127043 0.872957 0.395298 S\n0.126081 0.388862 0.446158 S\n0.388862 0.126081 0.553842 S\n0.872957 0.127043 0.604702 S\n0.873919 0.611138 0.553842 S\n0.388862 0.126081 0.946158 S\n0.872957 0.127043 0.895298 S\n0.873919 0.611138 0.946158 S\n0.611138 0.873919 0.053842 S\n0.127043 0.872957 0.104702 S\n0.126081 0.388862 0.053842 S\n",
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}