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{
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{
"id": "mp-1216868",
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"structure_string": "Ti2 Fe2 Sb2 O12\n1.0\n4.718114 0.000000 0.000000\n0.000000 4.718114 0.000000\n0.000000 0.000000 9.047288\nTi Fe Sb O\n2 2 2 12\ndirect\n0.500000 0.500000 0.496863 Ti\n0.000000 0.000000 0.996863 Ti\n0.500000 0.500000 0.166576 Fe\n0.000000 0.000000 0.666576 Fe\n0.500000 0.500000 0.832381 Sb\n0.000000 0.000000 0.332381 Sb\n0.190167 0.809833 0.163986 O\n0.193642 0.806358 0.501646 O\n0.192831 0.807169 0.836458 O\n0.809833 0.190167 0.163986 O\n0.806358 0.193642 0.501646 O\n0.807169 0.192831 0.836458 O\n0.306358 0.306358 0.001646 O\n0.307169 0.307169 0.336458 O\n0.309833 0.309833 0.663986 O\n0.693642 0.693642 0.001646 O\n0.692831 0.692831 0.336458 O\n0.690167 0.690167 0.663986 O\n",
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{
"id": "mp-1209354",
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"structure_string": "Pr4 S2 O12\n1.0\n0.000000 -4.300326 0.000000\n-6.805676 2.150164 2.080169\n-0.010874 0.000000 -8.384972\nPr S O\n4 2 12\ndirect\n0.674224 0.337043 0.585295 Pr\n0.325776 0.662957 0.414705 Pr\n0.337181 0.662957 0.914705 Pr\n0.662819 0.337043 0.085295 Pr\n0.937441 0.000000 0.750000 S\n0.062559 0.000000 0.250000 S\n0.766560 0.505431 0.876250 O\n0.233440 0.494569 0.123750 O\n0.261129 0.494569 0.623750 O\n0.738871 0.505431 0.376250 O\n0.730231 0.994997 0.604116 O\n0.269769 0.005003 0.395884 O\n0.735234 0.005003 0.895884 O\n0.264766 0.994997 0.104116 O\n0.220771 0.180439 0.790845 O\n0.779229 0.819561 0.209155 O\n0.040331 0.819561 0.709155 O\n0.959669 0.180439 0.290845 O\n",
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"spacegroup": 15
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{
"id": "mp-20932",
"created_at": "2022-09-04T14:39:39.321603Z",
"structure_string": "Nb4 Ni4 P4\n1.0\n3.594173 0.000000 0.000000\n0.000000 6.133025 0.000000\n0.000000 0.000000 7.117610\nNb Ni P\n4 4 4\ndirect\n0.250000 0.522435 0.666803 Nb\n0.250000 0.022435 0.833197 Nb\n0.750000 0.977565 0.166803 Nb\n0.750000 0.477565 0.333197 Nb\n0.750000 0.350738 0.933040 Ni\n0.250000 0.149262 0.433040 Ni\n0.750000 0.850738 0.566960 Ni\n0.250000 0.649262 0.066960 Ni\n0.250000 0.782039 0.377574 P\n0.250000 0.282039 0.122426 P\n0.750000 0.217961 0.622426 P\n0.750000 0.717961 0.877574 P\n",
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"formula_full": "Nb4 Ni4 P4",
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},
{
"id": "mp-756788",
"created_at": "2022-09-04T14:40:08.545493Z",
"structure_string": "Mn6 Fe2 O16\n1.0\n5.798320 0.000017 0.000767\n-2.899146 5.021467 -0.001533\n0.001211 -0.002097 9.040870\nMn Fe O\n6 2 16\ndirect\n0.167737 0.832316 0.211728 Mn\n0.167745 0.335536 0.211603 Mn\n0.664551 0.832314 0.211643 Mn\n0.335449 0.167763 0.711643 Mn\n0.832263 0.664578 0.711728 Mn\n0.832255 0.167790 0.711603 Mn\n0.333300 0.666532 0.494859 Fe\n0.666700 0.333232 0.994859 Fe\n0.162975 0.836878 0.601085 O\n0.040682 0.520398 0.335097 O\n0.333321 0.666670 0.102771 O\n0.000017 0.000218 0.316726 O\n0.999983 0.000201 0.816726 O\n0.163163 0.326220 0.601063 O\n0.479576 0.959217 0.335243 O\n0.479747 0.520327 0.334967 O\n0.326167 0.162964 0.101075 O\n0.673833 0.836797 0.601075 O\n0.520424 0.479642 0.835243 O\n0.520253 0.040581 0.834967 O\n0.666679 0.333348 0.602771 O\n0.837025 0.673903 0.101085 O\n0.959318 0.479717 0.835097 O\n0.836837 0.163057 0.101063 O\n",
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"formula_full": "Mn6 Fe2 O16",
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},
{
"id": "mp-755352",
"created_at": "2022-09-04T14:40:54.598992Z",
"structure_string": "Li4 Hf2 O6\n1.0\n4.510573 2.718849 0.000000\n-4.510573 2.718849 0.000000\n0.000000 2.095083 4.989348\nLi Hf O\n4 2 6\ndirect\n0.924192 0.075808 0.250000 Li\n0.241825 0.758175 0.250000 Li\n0.075808 0.924192 0.750000 Li\n0.758175 0.241825 0.750000 Li\n0.590778 0.409222 0.250000 Hf\n0.409222 0.590778 0.750000 Hf\n0.197108 0.348128 0.515352 O\n0.348128 0.197108 0.015352 O\n0.500000 0.000000 0.500000 O\n0.802892 0.651872 0.484648 O\n0.000000 0.500000 0.000000 O\n0.651872 0.802892 0.984648 O\n",
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],
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"density": 6.523326584347466,
"density_atomic": 0.09805972020150493,
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"formula_full": "Li4 Hf2 O6",
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},
{
"id": "mp-1214005",
"created_at": "2022-09-04T14:47:13.535638Z",
"structure_string": "Ca2 Al4 Si8 O24\n1.0\n5.095277 0.000000 -0.480909\n2.547638 -4.411935 -0.240455\n-0.079963 0.000000 -18.694822\nCa Al Si O\n2 4 8 24\ndirect\n0.100124 0.799752 0.750000 Ca\n0.899876 0.200248 0.250000 Ca\n0.294866 0.853312 0.999466 Al\n0.705134 0.146688 0.000534 Al\n0.851822 0.853312 0.500534 Al\n0.148178 0.146688 0.499466 Al\n0.720181 0.469143 0.863120 Si\n0.279819 0.530857 0.136880 Si\n0.810675 0.469143 0.636880 Si\n0.189325 0.530857 0.363120 Si\n0.474360 0.138489 0.637941 Si\n0.525640 0.861511 0.362059 Si\n0.387151 0.138489 0.862059 Si\n0.612849 0.861511 0.137941 Si\n0.042463 0.937159 0.568191 O\n0.957537 0.062841 0.431809 O\n0.020378 0.937159 0.931809 O\n0.979622 0.062841 0.068191 O\n0.548860 0.387765 0.672569 O\n0.451140 0.612235 0.327431 O\n0.063375 0.387765 0.827431 O\n0.936625 0.612235 0.172569 O\n0.623124 0.251329 0.820850 O\n0.376875 0.748671 0.179150 O\n0.125546 0.251329 0.679150 O\n0.874454 0.748671 0.320850 O\n0.639012 0.519603 0.946921 O\n0.360988 0.480397 0.053079 O\n0.841385 0.519603 0.553079 O\n0.158615 0.480397 0.446921 O\n0.460629 0.140303 0.553692 O\n0.539371 0.859697 0.446308 O\n0.399068 0.140303 0.946308 O\n0.600932 0.859697 0.053692 O\n0.505800 0.807446 0.822298 O\n0.494200 0.192554 0.177702 O\n0.686754 0.807446 0.677702 O\n0.313246 0.192554 0.322298 O\n",
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{
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"structure_string": "Ca1 Sm1 Cr4 O12\n1.0\n0.000000 3.718487 3.798714\n0.000000 -3.718487 3.798714\n7.426074 0.000000 0.000000\nCa Sm Cr O\n1 1 4 12\ndirect\n0.514612 0.514612 -0.000000 Ca\n0.994394 0.994394 0.500000 Sm\n0.512412 0.011979 0.753831 Cr\n0.512412 0.011979 0.246169 Cr\n0.011979 0.512412 0.246169 Cr\n0.011979 0.512412 0.753831 Cr\n0.779256 0.209848 0.745649 O\n0.209848 0.779256 0.745649 O\n0.209848 0.779256 0.254351 O\n0.779256 0.209848 0.254351 O\n0.721593 0.721593 0.708544 O\n0.282281 0.282281 0.787856 O\n0.282281 0.282281 0.212144 O\n0.721593 0.721593 0.291456 O\n0.523086 0.951158 -0.000000 O\n0.446259 0.033951 0.500000 O\n0.951158 0.523086 -0.000000 O\n0.033951 0.446259 0.500000 O\n",
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{
"id": "mp-1244920",
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"structure_string": "V30 O75\n1.0\n12.423245 0.074726 -0.629073\n0.042736 12.919266 -0.332118\n-0.627028 -0.288759 12.068754\nV O\n30 75\ndirect\n0.778216 0.867532 0.025813 V\n0.804997 0.836173 0.304125 V\n0.884506 0.654474 0.714471 V\n0.488213 0.611307 0.060974 V\n0.778776 0.030520 0.653715 V\n0.412278 0.206995 0.760895 V\n0.316605 0.657558 0.864358 V\n0.411643 0.814902 0.467830 V\n0.845354 0.074827 0.185815 V\n0.338771 0.760010 0.236872 V\n0.259648 0.014848 0.163912 V\n0.327914 0.591361 0.587651 V\n0.743224 0.625898 0.443956 V\n0.063248 0.785918 0.807788 V\n0.032611 0.955575 0.041297 V\n0.975569 0.884087 0.557501 V\n0.187696 0.319367 0.654138 V\n0.094046 0.440530 0.197460 V\n0.019861 0.437972 0.817399 V\n0.636717 0.202164 0.034151 V\n0.725246 0.244790 0.825745 V\n0.508418 0.002549 0.593262 V\n0.631385 0.409829 0.273286 V\n0.243858 0.451242 0.979917 V\n0.018467 0.382450 0.461004 V\n0.370057 0.486489 0.338559 V\n0.801014 0.238196 0.407564 V\n0.417119 0.076101 0.007212 V\n0.649602 0.689054 0.858377 V\n0.825102 0.405228 0.065316 V\n0.290739 0.794641 0.380818 O\n0.838313 0.625526 0.565011 O\n0.290033 0.356162 0.907518 O\n0.521028 0.855856 0.619099 O\n0.080599 0.332887 0.744436 O\n0.490232 0.411786 0.300050 O\n0.181309 0.395346 0.084291 O\n0.407198 0.742640 0.908979 O\n0.880437 0.344044 0.471487 O\n0.164151 0.020029 0.041954 O\n0.474285 0.123964 0.659818 O\n0.060967 0.879445 0.142166 O\n0.750696 0.990039 0.066222 O\n0.558265 0.694383 0.755819 O\n0.385331 0.157449 0.891625 O\n0.982214 0.701283 0.859013 O\n0.694627 0.335652 0.741160 O\n0.348145 0.563783 0.986524 O\n0.474450 0.921893 0.703838 O\n0.491833 0.789959 0.370878 O\n0.771435 0.649312 0.787632 O\n0.134729 0.506587 0.894520 O\n0.458843 0.323156 0.764961 O\n0.370321 0.492400 0.486529 O\n0.561111 0.293260 0.086025 O\n0.739345 0.174494 0.139297 O\n0.906207 0.000773 0.596032 O\n0.646436 0.023000 0.570927 O\n0.254114 0.427678 0.651337 O\n0.559646 0.083407 0.037345 O\n0.764206 0.293001 0.971858 O\n0.194705 0.726150 0.820671 O\n0.383786 0.957219 0.972998 O\n0.950165 0.526713 0.731637 O\n0.678306 0.815432 0.915462 O\n0.639369 0.684480 0.486549 O\n0.794116 0.695713 0.339835 O\n0.807077 0.515365 0.008569 O\n0.050662 0.391438 0.324794 O\n0.101159 0.912489 0.553743 O\n0.901290 0.878339 0.977744 O\n0.115740 0.289842 0.522009 O\n0.075368 0.563037 0.194332 O\n0.961874 0.391687 0.124261 O\n0.975636 0.781898 0.671219 O\n0.455199 0.716998 0.142236 O\n0.592063 0.623885 0.968324 O\n0.276085 0.215511 0.690128 O\n0.792817 0.139144 0.753914 O\n0.673518 0.296131 0.339624 O\n0.401225 0.698229 0.552006 O\n0.204499 0.626071 0.556125 O\n0.378438 0.608933 0.300810 O\n0.956079 0.062283 0.092996 O\n0.688816 0.501829 0.368840 O\n0.236228 0.708825 0.162476 O\n0.247880 0.438073 0.282317 O\n0.032915 0.493905 0.526207 O\n0.607898 0.191289 0.869696 O\n0.415641 0.966399 0.480523 O\n0.915627 0.842774 0.427141 O\n0.328386 0.892118 0.197719 O\n0.539413 0.520793 0.142577 O\n0.771309 0.930158 0.727684 O\n0.939872 0.384441 0.896652 O\n0.734814 0.410519 0.173772 O\n0.357474 0.110609 0.134030 O\n0.202716 0.060198 0.270118 O\n0.693203 0.881783 0.341539 O\n0.876119 0.174435 0.312723 O\n0.776438 0.160924 0.505661 O\n0.788161 0.799889 0.150245 O\n0.861383 0.967115 0.265452 O\n0.068187 0.898883 0.883620 O\n0.356177 0.595629 0.745166 O\n",
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{
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}