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{
"id": "mp-1235562",
"created_at": "2022-09-04T14:41:26.296396Z",
"structure_string": "K2 Li1 H2 Se2 O6\n1.0\n5.180958 0.256290 -1.704803\n-0.404503 5.869829 -1.967941\n-0.064937 0.118962 7.459478\nK Li H Se O\n2 1 2 2 6\ndirect\n0.274399 0.659123 0.173399 K\n0.677738 0.317391 0.893828 K\n0.682651 0.021940 0.311128 Li\n0.221701 0.098803 0.004073 H\n0.754962 0.790675 0.016997 H\n0.170050 0.273698 0.419337 Se\n0.028436 0.861881 0.671338 Se\n0.178085 0.128999 0.871986 O\n0.729849 0.747210 0.125337 O\n0.852922 0.287665 0.293284 O\n0.987257 0.699975 0.803740 O\n0.318005 0.123475 0.248425 O\n0.736445 0.968331 0.574535 O\n",
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{
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"structure_string": "Na5 W14 O42\n1.0\n-7.779166 0.000206 -0.000203\n-3.890300 15.557478 -11.666772\n0.000002 -3.891098 -3.891229\nNa W O\n5 14 42\ndirect\n0.638407 0.715313 0.856078 Na\n0.858432 0.286227 0.147854 Na\n0.068590 0.859110 0.430751 Na\n0.428350 0.141506 0.568973 Na\n0.210785 0.571240 0.282703 Na\n0.965346 0.569843 0.784312 W\n0.893591 0.714449 0.356431 W\n0.818836 0.858873 0.929128 W\n0.679723 0.141852 0.069566 W\n0.605958 0.286292 0.642119 W\n0.537482 0.427902 0.212787 W\n0.750809 0.000299 0.499582 W\n0.393280 0.714132 0.355297 W\n0.467692 0.569358 0.783571 W\n0.321078 0.858769 0.927010 W\n0.250744 0.000233 0.497683 W\n0.108383 0.286643 0.642521 W\n0.177108 0.142009 0.069300 W\n0.037678 0.428226 0.213042 W\n0.856699 0.785370 0.140536 O\n0.789343 0.928492 0.713687 O\n0.929038 0.642977 0.570791 O\n0.857257 0.786130 0.641108 O\n0.930699 0.642886 0.071169 O\n0.789566 0.927055 0.218297 O\n0.857560 0.285718 0.641450 O\n0.571697 0.856203 0.926098 O\n0.927525 0.144176 0.069995 O\n0.787706 0.427501 0.214043 O\n0.643492 0.714459 0.355288 O\n0.715359 0.572111 0.786552 O\n0.710551 0.071942 0.782841 O\n0.712011 0.071935 0.286898 O\n0.642025 0.213384 0.852719 O\n0.576846 0.355808 0.930046 O\n0.643139 0.214557 0.353943 O\n0.497524 0.500485 0.496771 O\n0.575072 0.356362 0.425582 O\n0.497946 0.500360 0.001573 O\n0.431505 0.643209 0.572133 O\n0.428880 0.642297 0.071652 O\n0.283149 0.927834 0.709059 O\n0.283392 0.927580 0.214276 O\n0.357937 0.786139 0.638956 O\n0.357867 0.784860 0.137575 O\n0.358122 0.284499 0.641623 O\n0.428318 0.142626 0.071574 O\n0.286850 0.429205 0.211577 O\n0.215709 0.571449 0.784027 O\n0.071255 0.857152 0.927089 O\n0.143401 0.714608 0.357818 O\n0.500083 0.000853 0.498227 O\n0.003984 0.500982 0.003158 O\n0.142796 0.213985 0.356853 O\n0.005231 0.500550 0.497647 O\n0.142709 0.214613 0.857289 O\n0.069518 0.356770 0.928364 O\n0.216702 0.071815 0.285270 O\n0.070383 0.356138 0.423857 O\n0.216993 0.072382 0.781011 O\n0.001213 0.998626 0.497254 O\n",
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"spacegroup": 44
},
{
"id": "mp-27156",
"created_at": "2022-09-04T14:41:26.171237Z",
"structure_string": "V8 Co8 O28\n1.0\n8.467621 0.000000 0.000000\n0.000000 6.693840 0.000000\n0.000000 1.718038 9.426478\nV Co O\n8 8 28\ndirect\n0.258627 0.639193 0.031001 V\n0.758627 0.360807 0.468999 V\n0.741373 0.360807 0.968999 V\n0.241373 0.639193 0.531001 V\n0.518547 0.805919 0.313620 V\n0.018547 0.194081 0.186380 V\n0.481453 0.194081 0.686380 V\n0.981453 0.805919 0.813620 V\n0.621326 0.853807 0.963399 Co\n0.121326 0.146193 0.536601 Co\n0.378674 0.146193 0.036601 Co\n0.878674 0.853807 0.463399 Co\n0.887312 0.694158 0.180240 Co\n0.387312 0.305842 0.319760 Co\n0.112688 0.305842 0.819760 Co\n0.612688 0.694158 0.680240 Co\n0.631381 0.393458 0.623577 O\n0.131381 0.606542 0.876423 O\n0.368619 0.606542 0.376423 O\n0.868619 0.393458 0.123577 O\n0.628515 0.572082 0.896032 O\n0.128515 0.427918 0.603968 O\n0.371485 0.427918 0.103968 O\n0.871485 0.572082 0.396032 O\n0.868776 0.828236 0.960020 O\n0.368776 0.171764 0.539980 O\n0.131224 0.171764 0.039980 O\n0.631224 0.828236 0.460020 O\n0.858509 0.746169 0.681682 O\n0.358509 0.253831 0.818318 O\n0.141491 0.253831 0.318318 O\n0.641491 0.746169 0.181682 O\n0.876959 0.320602 0.848699 O\n0.376959 0.679398 0.651301 O\n0.123041 0.679398 0.151301 O\n0.623041 0.320602 0.348699 O\n0.582379 0.970540 0.747472 O\n0.082379 0.029460 0.752528 O\n0.417621 0.029460 0.252528 O\n0.917621 0.970540 0.247472 O\n0.878958 0.146788 0.505625 O\n0.378958 0.853212 0.994375 O\n0.121042 0.853212 0.494375 O\n0.621042 0.146788 0.005625 O\n",
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"density": 4.1240842282542935,
"density_atomic": 0.0823505453415878,
"volume": 534.3012583279104,
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"formula_full": "V8 Co8 O28",
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{
"id": "mp-1017484",
"created_at": "2022-09-04T14:41:25.083585Z",
"structure_string": "La2 Mg12 Nb2\n1.0\n5.182758 0.000000 0.000000\n0.000000 6.141735 0.000000\n0.000000 0.000000 11.894590\nLa Mg Nb\n2 12 2\ndirect\n0.500000 0.000000 0.173397 La\n0.500000 0.500000 0.673397 La\n0.500000 0.250337 0.420791 Mg\n0.500000 0.749663 0.420791 Mg\n0.000000 0.735197 0.082003 Mg\n0.000000 0.264803 0.082003 Mg\n0.000000 0.000000 0.341269 Mg\n0.000000 0.500000 0.315294 Mg\n0.500000 0.750337 0.920791 Mg\n0.500000 0.249663 0.920791 Mg\n0.000000 0.235197 0.582003 Mg\n0.000000 0.764803 0.582003 Mg\n0.000000 0.500000 0.841269 Mg\n0.000000 0.000000 0.815294 Mg\n0.500000 0.500000 0.164448 Nb\n0.500000 0.000000 0.664448 Nb\n",
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{
"id": "mp-1306729",
"created_at": "2022-09-04T14:41:25.181822Z",
"structure_string": "Li4 Mn2 Co6 O16\n1.0\n-0.005449 5.779761 -0.003717\n-3.124774 2.890168 4.154935\n5.717639 -0.010753 8.390919\nLi Mn Co O\n4 2 6 16\ndirect\n0.013574 0.500134 0.500119 Li\n0.487282 0.499136 0.000020 Li\n0.513615 0.500032 0.499688 Li\n0.986860 0.500362 0.000426 Li\n0.987534 0.999653 0.000085 Mn\n0.512573 0.999832 0.500017 Mn\n0.012751 0.999934 0.500017 Co\n0.251388 0.998140 0.749561 Co\n0.249292 0.000619 0.249677 Co\n0.486957 0.999776 0.999986 Co\n0.749093 0.999327 0.250728 Co\n0.748328 0.002557 0.749636 Co\n0.118869 0.792407 0.377574 O\n0.589213 0.792863 0.876895 O\n0.912073 0.207845 0.622514 O\n0.377686 0.208396 0.123078 O\n0.622793 0.787394 0.375743 O\n0.090132 0.790196 0.874777 O\n0.409918 0.212410 0.624245 O\n0.877309 0.210095 0.125049 O\n0.834011 0.795580 0.106643 O\n0.364549 0.794803 0.607654 O\n0.341798 0.793042 0.108287 O\n0.869770 0.796105 0.607755 O\n0.630152 0.206509 0.892127 O\n0.158802 0.204491 0.392377 O\n0.138788 0.204096 0.892981 O\n0.664890 0.204268 0.392341 O\n",
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"formula_full": "Li4 Mn2 Co6 O16",
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{
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{
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"structure_string": "V4 Cu4 O12\n1.0\n-3.664773 3.664773 3.664773\n3.664773 -3.664773 3.664773\n3.664773 3.664773 -3.664773\nV Cu O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.303114 0.122124 0.819009 O\n0.696886 0.877876 0.180991 O\n0.696886 0.515895 0.819009 O\n0.303114 0.484105 0.180991 O\n0.122124 0.819009 0.303114 O\n0.877876 0.180991 0.696886 O\n0.515895 0.819009 0.696886 O\n0.484105 0.180991 0.303114 O\n0.819009 0.303114 0.122124 O\n0.180991 0.696886 0.877876 O\n0.819009 0.696886 0.515895 O\n0.180991 0.303114 0.484105 O\n",
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{
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"structure_string": "Gd1 Mg1\n1.0\n3.826877 0.000000 0.000000\n0.000000 3.826877 0.000000\n0.000000 0.000000 3.826877\nGd Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Mg\n",
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{
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"structure_string": "Mn1 Tc2 As1\n1.0\n-4.979805 5.053828 7.141469\n4.979805 -5.053828 7.141469\n4.979805 5.053828 -7.141469\nMn Tc As\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.268175 0.268175 Tc\n0.000000 0.731825 0.731825 Tc\n0.000000 0.500000 0.500000 As\n",
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{
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],
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"formula_full": "Y1 Mg1 Cu2",
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{
"id": "mp-755818",
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"structure_string": "Li8 Fe4 O4 F12\n1.0\n0.062590 -4.210397 4.210401\n-0.000002 4.233407 4.233411\n-8.530565 0.063046 -0.063042\nLi Fe O F\n8 4 4 12\ndirect\n0.250008 0.249998 0.250005 Li\n0.750008 0.749997 0.750005 Li\n0.750002 0.249998 0.250003 Li\n0.250002 0.749996 0.750004 Li\n0.467617 0.749995 0.373991 Li\n0.967622 0.249996 0.873992 Li\n0.032397 0.749996 0.126023 Li\n0.532391 0.249997 0.626023 Li\n0.999995 0.500051 0.500032 Fe\n0.500041 0.499925 0.999931 Fe\n0.499910 0.000050 0.999913 Fe\n0.999968 0.000055 0.499990 Fe\n0.802277 0.249993 0.495315 O\n0.302297 0.750000 0.995305 O\n0.697712 0.249995 0.004697 O\n0.197687 0.749998 0.504704 O\n0.252081 0.249991 0.495773 F\n0.752079 0.750003 0.995771 F\n0.247933 0.249991 0.004236 F\n0.747933 0.750000 0.504241 F\n0.005352 0.487333 0.261637 F\n0.505352 0.987336 0.761635 F\n0.005353 0.012659 0.261638 F\n0.505356 0.512659 0.761631 F\n0.494658 0.487334 0.238373 F\n0.994657 0.987337 0.738377 F\n0.494657 0.012658 0.238372 F\n0.994655 0.512657 0.738380 F\n",
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},
{
"id": "mp-1042019",
"created_at": "2022-09-04T14:41:27.197286Z",
"structure_string": "Ni4 O8\n1.0\n-2.780955 2.947251 3.787533\n2.780955 -2.947251 3.787533\n2.780955 2.947251 -3.787533\nNi O\n4 8\ndirect\n0.627165 0.877165 0.750000 Ni\n0.372835 0.122835 0.250000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.251588 0.255909 0.995679 O\n0.246941 0.280761 0.533821 O\n0.760230 0.255909 0.504321 O\n0.246941 0.713120 0.966179 O\n0.753059 0.286880 0.033821 O\n0.753059 0.719239 0.466179 O\n0.239770 0.744091 0.495679 O\n0.748412 0.744091 0.004321 O\n",
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],
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"volume": 124.17309382603817,
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"formula_full": "Ni4 O8",
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"updated_at": "2021-11-28T01:35:24.133000Z",
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}
]
}