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{
"id": "mp-1097047",
"created_at": "2022-09-04T14:44:53.030040Z",
"structure_string": "Fe4 Cu8 B4 O20\n1.0\n3.145458 0.000000 0.000000\n1.424825 9.641995 0.000000\n0.097880 0.107982 12.148340\nFe Cu B O\n4 8 4 20\ndirect\n0.938680 0.235042 0.883358 Fe\n0.083998 0.275922 0.379435 Fe\n0.056162 0.765869 0.116439 Fe\n0.009471 0.994208 0.503535 Fe\n0.934123 0.725999 0.618786 Cu\n0.996374 0.500789 0.999519 Cu\n0.549985 0.509413 0.219989 Cu\n0.485141 0.995023 0.723258 Cu\n0.434035 0.489736 0.777136 Cu\n0.524675 0.005386 0.278678 Cu\n0.498625 0.999925 0.000377 Cu\n0.493116 0.501755 0.501657 Cu\n0.037796 0.237004 0.134861 B\n0.947104 0.264986 0.634207 B\n0.961469 0.763675 0.863787 B\n0.054819 0.734052 0.366088 B\n0.489867 0.099836 0.856816 O\n0.518600 0.400764 0.354713 O\n0.507035 0.900626 0.144681 O\n0.437242 0.591642 0.644711 O\n0.049386 0.160583 0.039845 O\n0.928328 0.338866 0.535934 O\n0.946936 0.840221 0.960146 O\n0.053757 0.658030 0.462242 O\n0.960067 0.380708 0.131245 O\n0.040176 0.122068 0.632519 O\n0.045208 0.619933 0.869418 O\n0.979140 0.878218 0.367447 O\n0.611544 0.630262 0.088052 O\n0.550416 0.898577 0.577328 O\n0.387784 0.370658 0.912511 O\n0.492262 0.109172 0.422254 O\n0.122525 0.669411 0.265673 O\n0.900904 0.828017 0.762858 O\n0.877281 0.330851 0.733609 O\n0.095969 0.172770 0.236887 O\n",
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},
{
"id": "mp-1045868",
"created_at": "2022-09-04T14:44:53.098179Z",
"structure_string": "Cu10 O14\n1.0\n1.458446 -4.914852 0.000000\n1.458446 4.914852 0.000000\n0.000000 0.000000 17.879397\nCu O\n10 14\ndirect\n0.732623 0.267377 0.574611 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.267377 0.732623 0.425389 Cu\n0.267377 0.732623 0.074611 Cu\n0.732623 0.267377 0.925389 Cu\n0.531961 0.468039 0.155187 Cu\n0.468039 0.531961 0.844813 Cu\n0.468039 0.531961 0.655187 Cu\n0.531961 0.468039 0.344813 Cu\n0.358706 0.641294 0.977020 O\n0.641294 0.358706 0.022980 O\n0.641294 0.358706 0.477020 O\n0.358706 0.641294 0.522980 O\n0.841790 0.158210 0.841402 O\n0.158210 0.841790 0.158598 O\n0.158210 0.841790 0.341402 O\n0.841790 0.158210 0.658598 O\n0.082901 0.917099 0.898907 O\n0.917099 0.082901 0.101093 O\n0.917099 0.082901 0.398907 O\n0.082901 0.917099 0.601093 O\n0.546560 0.453440 0.750000 O\n0.453440 0.546560 0.250000 O\n",
"nsites": 24,
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"density": 5.567841456329782,
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"volume": 256.32068887834845,
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"formula_full": "Cu10 O14",
"formula_reduced": "Cu5O7",
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"spacegroup": 63
},
{
"id": "mp-723973",
"created_at": "2022-09-04T14:44:53.464514Z",
"structure_string": "Sc4 Se6\n1.0\n6.658716 0.000000 0.000000\n-1.157042 6.591017 0.000000\n-1.149315 -3.517864 5.576170\nSc Se\n4 6\ndirect\n0.000381 0.991072 0.001896 Sc\n0.499958 0.512437 0.829340 Sc\n0.500858 0.494373 0.168888 Sc\n0.000396 0.006982 0.663959 Sc\n0.752616 0.753657 0.240945 Se\n0.748602 0.747233 0.591664 Se\n0.751681 0.746013 0.918767 Se\n0.249971 0.231610 0.763404 Se\n0.251858 0.270620 0.068999 Se\n0.250870 0.252056 0.415986 Se\n",
"nsites": 10,
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"formula_full": "Sc4 Se6",
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"updated_at": "2021-11-28T01:36:42.924000Z",
"spacegroup": 1
},
{
"id": "mp-756710",
"created_at": "2022-09-04T14:44:52.904074Z",
"structure_string": "Cr3 Fe2 O8\n1.0\n0.000000 4.228002 4.228002\n4.228002 0.000000 4.228002\n4.199703 4.199703 0.028299\nCr Fe O\n3 2 8\ndirect\n0.622114 0.138710 0.617062 Cr\n0.138710 0.622114 0.617062 Cr\n0.622114 0.622114 0.617062 Cr\n0.001829 0.001829 0.994513 Fe\n0.621917 0.621917 0.134247 Fe\n0.833288 0.383567 0.399577 O\n0.383567 0.383567 0.399577 O\n0.383567 0.833288 0.399577 O\n0.391559 0.391559 0.825322 O\n0.867717 0.867717 0.396848 O\n0.867768 0.398079 0.866384 O\n0.398079 0.867768 0.866384 O\n0.867768 0.867768 0.866384 O\n",
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Cr-Fe-O",
"density": 4.390690257930414,
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"volume": 149.64191636648306,
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"formula_full": "Cr3 Fe2 O8",
"formula_reduced": "Cr3(FeO4)2",
"formula_anonymous": "A2B3C8",
"energy": -110.50084074,
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"spacegroup": 160
},
{
"id": "mp-626287",
"created_at": "2022-09-04T14:44:52.909086Z",
"structure_string": "Sr2 H32 O20\n1.0\n4.708193 4.465946 0.000000\n-4.708193 4.465946 0.000000\n0.000000 0.218061 11.715578\nSr H O\n2 32 20\ndirect\n0.973356 0.997285 0.743078 Sr\n0.997285 0.973356 0.243078 Sr\n0.417910 0.925590 0.639406 H\n0.269971 0.838170 0.545401 H\n0.620101 0.265979 0.649603 H\n0.701438 0.148307 0.540882 H\n0.071653 0.395237 0.587692 H\n0.287616 0.402990 0.651793 H\n0.957869 0.625268 0.641004 H\n0.686560 0.590086 0.652623 H\n0.395237 0.071653 0.087692 H\n0.402990 0.287616 0.151793 H\n0.590086 0.686560 0.152623 H\n0.625268 0.957869 0.141004 H\n0.265979 0.620101 0.149603 H\n0.148307 0.701438 0.040882 H\n0.925590 0.417910 0.139406 H\n0.838170 0.269971 0.045401 H\n0.615380 0.052513 0.374741 H\n0.625371 0.292913 0.344910 H\n0.365203 0.734500 0.358412 H\n0.321122 0.979466 0.388253 H\n0.692542 0.636397 0.355139 H\n0.819287 0.705358 0.469028 H\n0.083359 0.345931 0.401637 H\n0.302527 0.368602 0.338080 H\n0.636397 0.692542 0.855139 H\n0.705358 0.819287 0.969028 H\n0.345931 0.083359 0.901637 H\n0.368602 0.302527 0.838080 H\n0.979466 0.321122 0.888253 H\n0.734500 0.365203 0.858412 H\n0.052513 0.615380 0.874741 H\n0.292913 0.625371 0.844910 H\n0.534730 0.473491 0.680610 O\n0.473491 0.534730 0.180610 O\n0.478762 0.522890 0.307424 O\n0.522890 0.478762 0.807424 O\n0.277570 0.866171 0.628370 O\n0.681240 0.129468 0.624012 O\n0.137385 0.351666 0.657504 O\n0.833881 0.695814 0.620482 O\n0.351666 0.137385 0.157504 O\n0.695814 0.833881 0.120482 O\n0.129468 0.681240 0.124012 O\n0.866171 0.277570 0.128370 O\n0.703988 0.178227 0.378823 O\n0.269650 0.835753 0.394952 O\n0.815336 0.720777 0.384119 O\n0.186005 0.262341 0.365152 O\n0.720777 0.815336 0.884119 O\n0.262341 0.186005 0.865152 O\n0.835753 0.269650 0.894952 O\n0.178227 0.703988 0.878823 O\n",
"nsites": 54,
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"elements": [
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"H",
"O"
],
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"density": 1.7778510282067879,
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"volume": 492.6760380226566,
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"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy": -283.27550957,
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"spacegroup": 9
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{
"id": "mp-1213717",
"created_at": "2022-09-04T14:44:52.914055Z",
"structure_string": "Cs8 Sb4 F20\n1.0\n6.701700 0.000000 0.000000\n0.000000 8.504600 0.000000\n0.000000 0.000000 13.056831\nCs Sb F\n8 4 20\ndirect\n0.250000 0.001372 0.222926 Cs\n0.750000 0.998628 0.777074 Cs\n0.750000 0.498628 0.722926 Cs\n0.250000 0.501372 0.277074 Cs\n0.250000 0.659289 0.919368 Cs\n0.750000 0.340711 0.080632 Cs\n0.750000 0.840711 0.419368 Cs\n0.250000 0.159289 0.580632 Cs\n0.250000 0.672462 0.564056 Sb\n0.750000 0.327538 0.435944 Sb\n0.750000 0.827538 0.064056 Sb\n0.250000 0.172462 0.935944 Sb\n0.250000 0.815529 0.414397 F\n0.750000 0.184471 0.585603 F\n0.750000 0.684471 0.914397 F\n0.250000 0.315529 0.085603 F\n0.023894 0.816578 0.624830 F\n0.976106 0.183422 0.375170 F\n0.976106 0.683422 0.124830 F\n0.523894 0.183422 0.375170 F\n0.023894 0.316578 0.875170 F\n0.476106 0.816578 0.624830 F\n0.476106 0.316578 0.875170 F\n0.523894 0.683422 0.124830 F\n0.000000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n0.500000 0.000000 0.000000 F\n0.250000 0.538560 0.700068 F\n0.750000 0.461440 0.299932 F\n0.750000 0.961440 0.200068 F\n0.250000 0.038560 0.799932 F\n",
"nsites": 32,
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{
"id": "mp-1221778",
"created_at": "2022-09-04T14:44:52.945162Z",
"structure_string": "Mn1 V2 P2 H8 O14\n1.0\n6.331096 0.000000 0.000000\n0.000000 6.331096 0.000000\n3.165548 3.165548 6.877148\nMn V P H O\n1 2 2 8 14\ndirect\n0.000000 0.000000 0.000000 Mn\n0.274323 0.274323 0.451354 V\n0.725677 0.725677 0.548646 V\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.272934 0.401964 0.883593 H\n0.843472 0.714442 0.883593 H\n0.714442 0.272934 0.883593 H\n0.401964 0.843472 0.883593 H\n0.727066 0.598036 0.116407 H\n0.156528 0.285558 0.116407 H\n0.285558 0.727066 0.116407 H\n0.598036 0.156528 0.116407 H\n0.282529 0.619701 0.367851 O\n0.349620 0.012448 0.367851 O\n0.012448 0.282529 0.367851 O\n0.619701 0.349620 0.367851 O\n0.717471 0.380299 0.632149 O\n0.650380 0.987552 0.632149 O\n0.987552 0.717471 0.632149 O\n0.380299 0.650380 0.632149 O\n0.154703 0.154703 0.690594 O\n0.845297 0.845297 0.309406 O\n0.231698 0.254372 0.000000 O\n0.768302 0.745628 0.000000 O\n0.745628 0.231698 0.000000 O\n0.254372 0.768302 0.000000 O\n",
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"formula_full": "Mn1 V2 P2 H8 O14",
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{
"id": "mp-1227432",
"created_at": "2022-09-04T14:44:52.952380Z",
"structure_string": "Ce6 Mn1 Sb15\n1.0\n9.689727 7.811959 0.000000\n-9.689727 7.811959 0.000000\n0.000000 1.207960 4.173853\nCe Mn Sb\n6 1 15\ndirect\n0.324990 0.678700 0.920088 Ce\n0.678700 0.324990 0.920088 Ce\n0.270999 0.009049 0.784444 Ce\n0.725836 0.989863 0.068248 Ce\n0.989863 0.725836 0.068248 Ce\n0.009049 0.270999 0.784444 Ce\n0.277174 0.277174 0.648401 Mn\n0.162103 0.162103 0.261315 Sb\n0.843589 0.843589 0.589093 Sb\n0.479963 0.245573 0.558201 Sb\n0.535790 0.748927 0.279004 Sb\n0.748927 0.535790 0.279004 Sb\n0.245573 0.479963 0.558201 Sb\n0.400249 0.400249 0.023555 Sb\n0.596848 0.596848 0.823589 Sb\n0.512620 0.915166 0.708047 Sb\n0.488663 0.078450 0.138158 Sb\n0.078450 0.488663 0.138158 Sb\n0.915166 0.512620 0.708047 Sb\n0.196795 0.801453 0.424557 Sb\n0.801453 0.196795 0.424557 Sb\n0.992299 0.992299 0.964752 Sb\n",
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{
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