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{
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"results": [
{
"id": "mp-13097",
"created_at": "2022-09-04T14:42:37.900881Z",
"structure_string": "Na2 Zn2 As2\n1.0\n4.192733 0.000000 0.000000\n0.000000 4.192733 0.000000\n0.000000 0.000000 7.154267\nNa Zn As\n2 2 2\ndirect\n0.000000 0.500000 0.648604 Na\n0.500000 0.000000 0.351396 Na\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.782514 As\n0.000000 0.500000 0.217486 As\n",
"nsites": 6,
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"volume": 125.76493120212596,
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{
"id": "mp-756107",
"created_at": "2022-09-04T14:42:28.969564Z",
"structure_string": "Li4 Fe6 Sb2 O16\n1.0\n-0.003399 -3.487804 4.943548\n6.208382 7.070819 5.006744\n-3.019130 5.229219 0.000323\nLi Fe Sb O\n4 6 2 16\ndirect\n0.933940 0.198257 0.867843 Li\n0.433955 0.698247 0.867865 Li\n0.566052 0.301759 0.132136 Li\n0.066034 0.801761 0.132117 Li\n0.500291 0.999859 0.000255 Fe\n0.499765 0.000003 0.499741 Fe\n0.499695 0.499854 0.499926 Fe\n0.000007 0.500154 0.000028 Fe\n0.000189 0.499887 0.500222 Fe\n0.000089 0.000181 0.499969 Fe\n0.750021 0.749958 0.500025 Sb\n0.250020 0.249961 0.500023 Sb\n0.865422 0.400240 0.732617 O\n0.365409 0.900232 0.732589 O\n0.634578 0.099800 0.267373 O\n0.134570 0.599808 0.267387 O\n0.094161 0.624406 0.734878 O\n0.594092 0.124420 0.734828 O\n0.640606 0.624742 0.734725 O\n0.140632 0.124761 0.734722 O\n0.640634 0.624747 0.281181 O\n0.140600 0.124774 0.281103 O\n0.859349 0.875258 0.718791 O\n0.359390 0.375232 0.718869 O\n0.859398 0.875265 0.265267 O\n0.359364 0.375249 0.265259 O\n0.405838 0.875598 0.265111 O\n0.905900 0.375589 0.265147 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Fe-Li-O-Sb",
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"formula_full": "Li4 Fe6 Sb2 O16",
"formula_reduced": "Li2Fe3SbO8",
"formula_anonymous": "AB2C3D8",
"energy": -199.68631366,
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"updated_at": "2021-11-28T01:35:51.631000Z",
"spacegroup": 166
},
{
"id": "mp-781957",
"created_at": "2022-09-04T14:42:29.268026Z",
"structure_string": "Li6 Mn8 B8 O24\n1.0\n7.853927 0.000000 0.000000\n1.402637 8.168941 0.000000\n3.721933 3.029085 7.845467\nLi Mn B O\n6 8 8 24\ndirect\n0.113355 0.197683 0.153549 Li\n0.388829 0.294253 0.849249 Li\n0.118120 0.538996 0.362336 Li\n0.364487 0.952477 0.651950 Li\n0.634691 0.047559 0.354732 Li\n0.863913 0.792065 0.863288 Li\n0.062386 0.171682 0.510783 Mn\n0.170047 0.578111 0.999526 Mn\n0.679845 0.070640 0.013751 Mn\n0.425781 0.333543 0.496054 Mn\n0.586052 0.664491 0.486320 Mn\n0.332384 0.908161 0.008858 Mn\n0.816836 0.427059 0.988923 Mn\n0.929169 0.818624 0.507655 Mn\n0.078923 0.163799 0.842403 B\n0.177648 0.576747 0.664095 B\n0.669622 0.069277 0.672878 B\n0.411836 0.317077 0.170969 B\n0.576217 0.692860 0.818694 B\n0.333919 0.940542 0.331342 B\n0.829668 0.424523 0.323385 B\n0.924608 0.821827 0.168235 B\n0.161592 0.135051 0.956692 O\n0.065432 0.608139 0.812558 O\n0.179214 0.144338 0.686521 O\n0.149462 0.003727 0.357288 O\n0.120933 0.621401 0.530390 O\n0.351581 0.491415 0.652470 O\n0.094039 0.732775 0.156579 O\n0.575189 0.102146 0.823844 O\n0.311791 0.347371 0.321933 O\n0.395826 0.765131 0.848068 O\n0.593118 0.107370 0.552570 O\n0.340870 0.355691 0.047676 O\n0.650784 0.644042 0.939031 O\n0.407562 0.895554 0.453009 O\n0.588123 0.233761 0.151369 O\n0.677387 0.686830 0.655947 O\n0.443154 0.937840 0.167461 O\n0.893566 0.228694 0.877573 O\n0.654714 0.504849 0.348031 O\n0.906462 0.388325 0.441851 O\n0.843504 0.983006 0.652326 O\n0.818202 0.855616 0.316643 O\n0.927264 0.390167 0.173007 O\n0.862939 0.870759 0.035668 O\n",
"nsites": 46,
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"elements": [
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"B",
"O"
],
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"density": 3.1393739189113106,
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"volume": 503.35156088720674,
"volume_molar": 6.589682503105368,
"formula_full": "Li6 Mn8 B8 O24",
"formula_reduced": "Li3Mn4(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy": -370.28090631,
"energy_per_atom": -8.049584919782609,
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"updated_at": "2021-11-28T01:35:48.769000Z",
"spacegroup": 1
},
{
"id": "mp-23572",
"created_at": "2022-09-04T14:42:37.521011Z",
"structure_string": "K4 Bi4 P8 S28\n1.0\n12.744124 0.000000 0.000000\n0.000000 9.238198 0.000000\n0.000000 0.071872 9.777083\nK Bi P S\n4 4 8 28\ndirect\n0.688351 0.626006 0.888162 K\n0.188351 0.873994 0.111838 K\n0.311649 0.373994 0.111838 K\n0.811649 0.126006 0.888162 K\n0.636979 0.373601 0.348314 Bi\n0.136979 0.126399 0.651686 Bi\n0.363021 0.626399 0.651686 Bi\n0.863021 0.873601 0.348314 Bi\n0.608734 0.016921 0.227788 P\n0.108734 0.483079 0.772212 P\n0.391266 0.983079 0.772212 P\n0.891266 0.516921 0.227788 P\n0.534172 0.302037 0.679159 P\n0.034172 0.197963 0.320841 P\n0.465828 0.697963 0.320841 P\n0.965828 0.802037 0.679159 P\n0.811232 0.844726 0.655396 S\n0.311232 0.655274 0.344604 S\n0.188768 0.155274 0.344604 S\n0.688768 0.344726 0.655396 S\n0.710924 0.890393 0.123844 S\n0.210924 0.609607 0.876156 S\n0.289076 0.109607 0.876156 S\n0.789076 0.390393 0.123844 S\n0.968634 0.069762 0.174015 S\n0.468634 0.430238 0.825985 S\n0.031366 0.930238 0.825985 S\n0.531366 0.569762 0.174015 S\n0.824682 0.569421 0.410024 S\n0.324682 0.930579 0.589976 S\n0.175318 0.430579 0.589976 S\n0.675318 0.069421 0.410024 S\n0.050385 0.815611 0.502748 S\n0.550385 0.684389 0.497252 S\n0.949615 0.184389 0.497252 S\n0.449615 0.315611 0.502748 S\n0.457489 0.917221 0.248788 S\n0.957489 0.582779 0.751212 S\n0.542511 0.082779 0.751212 S\n0.042511 0.417221 0.248788 S\n0.942319 0.702571 0.133630 S\n0.442319 0.797429 0.866370 S\n0.057681 0.297429 0.866370 S\n0.557681 0.202571 0.133630 S\n",
"nsites": 44,
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"elements": [
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"Bi",
"P",
"S"
],
"chemical_system": "Bi-K-P-S",
"density": 3.084146401755438,
"density_atomic": 0.03822487904357324,
"volume": 1151.0827790937833,
"volume_molar": 15.754505732078975,
"formula_full": "K4 Bi4 P8 S28",
"formula_reduced": "KBiP2S7",
"formula_anonymous": "ABC2D7",
"energy": -214.36594224,
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"spacegroup": 14
},
{
"id": "mp-763767",
"created_at": "2022-09-04T14:42:37.553852Z",
"structure_string": "Fe10 P6 O26\n1.0\n6.321423 0.000000 0.000000\n0.000000 8.548209 0.000000\n0.000000 0.822765 9.813172\nFe P O\n10 6 26\ndirect\n0.999394 0.885910 0.766349 Fe\n0.250000 0.154179 0.908864 Fe\n0.250000 0.232352 0.557810 Fe\n0.250000 0.414433 0.116233 Fe\n0.500606 0.885910 0.766349 Fe\n0.499394 0.114090 0.233651 Fe\n0.750000 0.585567 0.883767 Fe\n0.750000 0.767648 0.442190 Fe\n0.750000 0.845821 0.091136 Fe\n0.000606 0.114090 0.233651 Fe\n0.250000 0.521699 0.777931 P\n0.250000 0.889910 0.480269 P\n0.250000 0.818408 0.083778 P\n0.750000 0.181592 0.916222 P\n0.750000 0.110090 0.519731 P\n0.750000 0.478301 0.222069 P\n0.046429 0.624918 0.785462 O\n0.054294 0.791712 0.461833 O\n0.047733 0.882521 0.150779 O\n0.250000 0.881094 0.929362 O\n0.250000 0.949230 0.631431 O\n0.250000 0.405056 0.910716 O\n0.250000 0.431293 0.652110 O\n0.250000 0.191569 0.111321 O\n0.250000 0.047265 0.383618 O\n0.250000 0.638046 0.100533 O\n0.445706 0.791712 0.461833 O\n0.453571 0.624918 0.785462 O\n0.452267 0.882521 0.150779 O\n0.547733 0.117479 0.849221 O\n0.546429 0.375082 0.214538 O\n0.554294 0.208288 0.538167 O\n0.750000 0.361954 0.899467 O\n0.750000 0.952735 0.616382 O\n0.750000 0.808431 0.888679 O\n0.750000 0.568707 0.347890 O\n0.750000 0.594944 0.089284 O\n0.750000 0.050770 0.368569 O\n0.750000 0.118906 0.070638 O\n0.952267 0.117479 0.849221 O\n0.945706 0.208288 0.538167 O\n0.953571 0.375082 0.214538 O\n",
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"formula_full": "Fe10 P6 O26",
"formula_reduced": "Fe5P3O13",
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},
{
"id": "mp-776860",
"created_at": "2022-09-04T14:42:37.722705Z",
"structure_string": "Li4 Fe3 Co3 W2 O16\n1.0\n5.938327 0.000000 0.000000\n2.948927 5.156912 0.000000\n0.166063 0.080642 9.786493\nLi Fe Co W O\n4 3 3 2 16\ndirect\n0.663958 0.665798 0.089377 Li\n0.003359 0.000188 0.010957 Li\n0.002634 0.006169 0.514308 Li\n0.326874 0.324726 0.591834 Li\n0.824944 0.832987 0.780665 Fe\n0.657767 0.166135 0.284365 Fe\n0.166695 0.657718 0.285904 Fe\n0.822423 0.343383 0.787338 Co\n0.340285 0.827992 0.788630 Co\n0.170124 0.171130 0.286236 Co\n0.655612 0.659840 0.514995 W\n0.329175 0.336177 0.012581 W\n0.826258 0.346982 0.411864 O\n0.519353 0.506388 0.642205 O\n0.668287 0.657560 0.884868 O\n0.001348 0.011292 0.703246 O\n0.999461 0.998342 0.198923 O\n0.345850 0.822204 0.412565 O\n0.957024 0.515295 0.656512 O\n0.521568 0.956570 0.650649 O\n0.175012 0.178665 0.918945 O\n0.831183 0.826035 0.414612 O\n0.493009 0.039152 0.144541 O\n0.037622 0.494966 0.145576 O\n0.338085 0.336136 0.391498 O\n0.661998 0.177355 0.907495 O\n0.482549 0.481426 0.152815 O\n0.177842 0.659089 0.908654 O\n",
"nsites": 28,
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],
"chemical_system": "Co-Fe-Li-O-W",
"density": 5.517302217886922,
"density_atomic": 0.0934280129568012,
"volume": 299.69598104314287,
"volume_molar": 6.445754939457493,
"formula_full": "Li4 Fe3 Co3 W2 O16",
"formula_reduced": "Li4Fe3Co3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -212.04079557,
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{
"id": "mp-27624",
"created_at": "2022-09-04T14:42:37.981959Z",
"structure_string": "Ca1 V2 O6\n1.0\n3.698115 0.000000 0.000000\n-1.849057 5.088351 -1.243623\n0.000000 0.119963 7.266001\nCa V O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.241285 0.482568 0.672408 V\n0.758715 0.517432 0.327592 V\n0.755642 0.511285 0.603311 O\n0.244358 0.488715 0.396688 O\n0.367896 0.735793 0.867329 O\n0.100544 0.201087 0.741308 O\n0.632104 0.264207 0.132670 O\n0.899456 0.798913 0.258691 O\n",
"nsites": 9,
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"elements": [
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],
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"density": 2.8783688924946143,
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"volume": 137.27828976921245,
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"formula_full": "Ca1 V2 O6",
"formula_reduced": "CaV2O6",
"formula_anonymous": "AB2C6",
"energy": -74.1597093,
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"spacegroup": 12
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{
"id": "mp-1236191",
"created_at": "2022-09-04T14:42:28.969762Z",
"structure_string": "Ba2 Li1 Mn2 P4 O14\n1.0\n5.651007 -0.263100 0.246253\n-0.980601 8.216190 -2.471091\n0.396417 -0.925587 7.795334\nBa Li Mn P O\n2 1 2 4 14\ndirect\n0.328169 0.717270 0.976231 Ba\n0.671831 0.282730 0.023769 Ba\n0.000000 0.000000 0.000000 Li\n0.213549 0.600596 0.406852 Mn\n0.786451 0.399404 0.593148 Mn\n0.768018 0.734835 0.250329 P\n0.231982 0.265165 0.749671 P\n0.720143 0.791726 0.641754 P\n0.279857 0.208274 0.358246 P\n0.538241 0.303808 0.374668 O\n0.461759 0.696192 0.625332 O\n0.744568 0.949404 0.823484 O\n0.255432 0.050596 0.176516 O\n0.092959 0.330687 0.384028 O\n0.907041 0.669313 0.615972 O\n0.768771 0.859016 0.471712 O\n0.231229 0.140984 0.528288 O\n0.024092 0.372496 0.787214 O\n0.975908 0.627504 0.212786 O\n0.478230 0.384763 0.783207 O\n0.521770 0.615237 0.216793 O\n0.208330 0.156957 0.864308 O\n0.791670 0.843043 0.135692 O\n",
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{
"id": "mp-7090",
"created_at": "2022-09-04T14:42:29.014952Z",
"structure_string": "Na2 Mg2 Sb2\n1.0\n4.658766 0.000000 0.000000\n0.000000 4.658766 0.000000\n0.000000 0.000000 7.719064\nNa Mg Sb\n2 2 2\ndirect\n0.500000 0.000000 0.357647 Na\n0.000000 0.500000 0.642353 Na\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.772297 Sb\n0.000000 0.500000 0.227703 Sb\n",
"nsites": 6,
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