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{
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{
"id": "mp-1176585",
"created_at": "2022-09-04T14:39:28.581943Z",
"structure_string": "Na10 Li2 Fe4 P4 C4 O28\n1.0\n6.742650 0.000000 0.000000\n0.058487 8.916207 0.000000\n0.010363 0.199358 10.363924\nNa Li Fe P C O\n10 2 4 4 4 28\ndirect\n0.749214 0.917209 0.120216 Na\n0.755335 0.918684 0.618062 Na\n0.997577 0.735023 0.377388 Na\n0.501018 0.735716 0.377228 Na\n0.995775 0.737846 0.874132 Na\n0.505440 0.736848 0.874624 Na\n0.495343 0.262648 0.123573 Na\n0.002599 0.262930 0.125217 Na\n0.499157 0.261330 0.625617 Na\n0.241680 0.083698 0.877088 Na\n0.027071 0.281527 0.613108 Li\n0.243388 0.095608 0.376210 Li\n0.247930 0.646033 0.109249 Fe\n0.251557 0.644013 0.615580 Fe\n0.754128 0.347663 0.392946 Fe\n0.752567 0.354530 0.884449 Fe\n0.748240 0.583619 0.146812 P\n0.757812 0.584551 0.647888 P\n0.251715 0.408457 0.357946 P\n0.246028 0.409764 0.850953 P\n0.248809 0.938383 0.144763 C\n0.240683 0.955577 0.624043 C\n0.750735 0.057345 0.364264 C\n0.750151 0.060766 0.864154 C\n0.748029 0.913030 0.354690 O\n0.748154 0.916439 0.853870 O\n0.247624 0.889917 0.026506 O\n0.249223 0.911559 0.505534 O\n0.246860 0.840153 0.239177 O\n0.252314 0.854489 0.718490 O\n0.933354 0.678903 0.106829 O\n0.562237 0.680570 0.108618 O\n0.936570 0.685609 0.609341 O\n0.568142 0.672138 0.604637 O\n0.749674 0.558122 0.296612 O\n0.249912 0.561152 0.426413 O\n0.753531 0.564333 0.798512 O\n0.252044 0.567905 0.911079 O\n0.746357 0.431085 0.079367 O\n0.243944 0.435517 0.208894 O\n0.773242 0.426600 0.587760 O\n0.230008 0.429311 0.699942 O\n0.439230 0.312317 0.392704 O\n0.072704 0.307815 0.401919 O\n0.434399 0.315761 0.884675 O\n0.067203 0.316948 0.901012 O\n0.756625 0.143903 0.261217 O\n0.753514 0.148188 0.762158 O\n0.748280 0.119737 0.476840 O\n0.749285 0.122157 0.977446 O\n0.251729 0.080495 0.169217 O\n0.221862 0.096085 0.651036 O\n",
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"P",
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"formula_full": "Na10 Li2 Fe4 P4 C4 O28",
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"spacegroup": 1
},
{
"id": "mp-1097272",
"created_at": "2022-09-04T14:39:28.590871Z",
"structure_string": "Sr2 Li1 Mg1\n1.0\n-6.712454 7.375467 9.493325\n6.712454 -7.375467 9.493325\n6.712454 7.375467 -9.493325\nSr Li Mg\n2 1 1\ndirect\n0.753374 0.000000 0.753374 Sr\n0.246626 0.000000 0.246626 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"Li",
"Mg"
],
"chemical_system": "Li-Mg-Sr",
"density": 0.18238558969904387,
"density_atomic": 0.002127702012035324,
"volume": 1879.9625029134916,
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"formula_full": "Sr2 Li1 Mg1",
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{
"id": "mp-1199268",
"created_at": "2022-09-04T14:39:28.595210Z",
"structure_string": "Na8 Cr8 H16 O36\n1.0\n10.941937 0.000000 0.000000\n0.000000 6.207044 0.000000\n0.000000 1.121228 12.918079\nNa Cr H O\n8 8 16 36\ndirect\n0.801996 0.320748 0.227741 Na\n0.301996 0.679252 0.772259 Na\n0.766657 0.880752 0.469350 Na\n0.266657 0.119248 0.530650 Na\n0.312153 0.341511 0.016035 Na\n0.812153 0.658489 0.983965 Na\n0.800674 0.039583 0.755310 Na\n0.300674 0.960417 0.244690 Na\n0.618951 0.161651 0.987922 Cr\n0.118951 0.838349 0.012078 Cr\n0.618170 0.849943 0.195098 Cr\n0.118170 0.150057 0.804902 Cr\n0.611192 0.557271 0.666486 Cr\n0.111192 0.442729 0.333514 Cr\n0.564752 0.354602 0.452882 Cr\n0.064752 0.645398 0.547118 Cr\n0.961175 0.118696 0.564073 H\n0.461175 0.881304 0.435927 H\n0.855707 0.283076 0.570695 H\n0.355707 0.716924 0.429305 H\n0.923796 0.210348 0.039809 H\n0.423796 0.789652 0.960191 H\n0.001608 0.404198 0.071048 H\n0.501608 0.595802 0.928952 H\n0.980254 0.013731 0.328967 H\n0.480254 0.986269 0.671033 H\n0.896539 0.846948 0.282339 H\n0.396539 0.153052 0.717661 H\n0.479724 0.311039 0.207062 H\n0.979724 0.688961 0.792938 H\n0.355199 0.419959 0.226316 H\n0.855199 0.580041 0.773684 H\n0.646447 0.112211 0.124954 O\n0.146447 0.887789 0.875046 O\n0.646028 0.417116 0.953060 O\n0.146028 0.582884 0.046940 O\n0.707788 0.002642 0.927139 O\n0.207788 0.997358 0.072861 O\n0.476023 0.106191 0.965380 O\n0.976023 0.893809 0.034620 O\n0.718623 0.677913 0.156759 O\n0.218623 0.322087 0.843241 O\n0.631202 0.878660 0.318329 O\n0.131202 0.121340 0.681671 O\n0.479257 0.778521 0.168824 O\n0.979257 0.221479 0.831176 O\n0.624627 0.564226 0.527539 O\n0.124627 0.435774 0.472461 O\n0.714166 0.391315 0.719457 O\n0.214166 0.608685 0.280543 O\n0.473168 0.480589 0.701336 O\n0.973168 0.519411 0.298664 O\n0.637349 0.802865 0.696999 O\n0.137349 0.197135 0.303001 O\n0.597260 0.119326 0.512413 O\n0.097260 0.880674 0.487587 O\n0.627228 0.375480 0.338227 O\n0.127228 0.624520 0.661773 O\n0.416001 0.382602 0.444257 O\n0.916001 0.617398 0.555743 O\n0.872661 0.127636 0.573768 O\n0.372661 0.872364 0.426232 O\n0.917069 0.349984 0.069573 O\n0.417069 0.650016 0.930427 O\n0.893893 0.983439 0.315076 O\n0.393893 0.016561 0.684924 O\n0.392582 0.301522 0.191803 O\n0.892582 0.698478 0.808197 O\n",
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"volume": 877.3582617834852,
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"formula_full": "Na8 Cr8 H16 O36",
"formula_reduced": "Na2Cr2H4O9",
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"energy": -431.76140156,
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{
"id": "mp-754000",
"created_at": "2022-09-04T14:39:28.582476Z",
"structure_string": "Li4 V2 F10\n1.0\n2.559711 5.190988 0.000000\n-2.559711 5.190988 0.000000\n0.000000 2.663383 6.799168\nLi V F\n4 2 10\ndirect\n0.653853 0.629896 0.755722 Li\n0.629896 0.653853 0.255722 Li\n0.370104 0.346147 0.744278 Li\n0.346147 0.370104 0.244278 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.814317 0.185683 0.250000 F\n0.761914 0.405685 0.544465 F\n0.970766 0.669852 0.147526 F\n0.669852 0.970766 0.647526 F\n0.405685 0.761914 0.044465 F\n0.185683 0.814317 0.750000 F\n0.594315 0.238086 0.955535 F\n0.330148 0.029234 0.352474 F\n0.029234 0.330148 0.852474 F\n0.238086 0.594315 0.455535 F\n",
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"elements": [
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],
"chemical_system": "F-Li-V",
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"formula_full": "Li4 V2 F10",
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{
"id": "mp-753396",
"created_at": "2022-09-04T14:39:28.583796Z",
"structure_string": "Li8 Ni4 P8 O28\n1.0\n2.935757 6.522110 -0.206468\n-7.277302 6.808990 -0.668738\n-0.697581 -3.454394 8.034718\nLi Ni P O\n8 4 8 28\ndirect\n0.206583 0.112733 0.008237 Li\n0.706410 0.612689 0.008165 Li\n0.793665 0.887279 0.991795 Li\n0.293490 0.387224 0.991757 Li\n0.478057 0.162265 0.755146 Li\n0.977870 0.662181 0.755118 Li\n0.522189 0.837808 0.244901 Li\n0.022039 0.337766 0.244928 Li\n0.652302 0.505469 0.332823 Ni\n0.847650 0.994536 0.667127 Ni\n0.152235 0.005363 0.332921 Ni\n0.347523 0.494580 0.667083 Ni\n0.443695 0.205305 0.396517 P\n0.943748 0.705224 0.396546 P\n0.556293 0.794773 0.603454 P\n0.056221 0.294709 0.603482 P\n0.652335 0.185388 0.142985 P\n0.152278 0.685347 0.142963 P\n0.347770 0.814627 0.857056 P\n0.847658 0.314602 0.857030 P\n0.843568 0.864217 0.442568 O\n0.343453 0.364255 0.442490 O\n0.156450 0.135806 0.557431 O\n0.656450 0.635811 0.557433 O\n0.567387 0.126985 0.547490 O\n0.067056 0.626748 0.547380 O\n0.433017 0.873236 0.452610 O\n0.932503 0.373150 0.452484 O\n0.269518 0.130789 0.257057 O\n0.769500 0.630807 0.256999 O\n0.730531 0.869211 0.742984 O\n0.230417 0.369183 0.742902 O\n0.149068 0.937749 0.838953 O\n0.648976 0.437696 0.838904 O\n0.850951 0.062223 0.161111 O\n0.350932 0.562276 0.161016 O\n0.457203 0.155861 0.987829 O\n0.957137 0.655837 0.987824 O\n0.542881 0.844178 0.012206 O\n0.042784 0.344150 0.012169 O\n0.608986 0.198915 0.314747 O\n0.109077 0.698912 0.314895 O\n0.391041 0.801124 0.685216 O\n0.891013 0.301046 0.685225 O\n0.818853 0.167877 0.853554 O\n0.318907 0.667931 0.853566 O\n0.181069 0.832087 0.146444 O\n0.681257 0.332075 0.146477 O\n",
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{
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"structure_string": "Zr1 Ti1 Ni2\n1.0\n-3.114209 0.000000 0.000000\n0.000000 0.000000 -4.083561\n-1.557105 -4.847247 0.000000\nZr Ti Ni\n1 1 2\ndirect\n0.855588 0.250000 0.288825 Zr\n0.137977 0.750000 0.724046 Ti\n0.420909 0.750000 0.158181 Ni\n0.585526 0.250000 0.828948 Ni\n",
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{
"id": "mp-1087495",
"created_at": "2022-09-04T14:39:28.649022Z",
"structure_string": "Tc6 B2\n1.0\n1.458448 -4.638546 0.000000\n1.458448 4.638546 0.000000\n0.000000 0.000000 7.261352\nTc B\n6 2\ndirect\n0.864922 0.135078 0.437554 Tc\n0.135078 0.864922 0.562446 Tc\n0.864922 0.135078 0.062446 Tc\n0.135078 0.864922 0.937554 Tc\n0.575522 0.424478 0.250000 Tc\n0.424478 0.575522 0.750000 Tc\n0.256100 0.743900 0.250000 B\n0.743900 0.256100 0.750000 B\n",
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}
]
}