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{
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"results": [
{
"id": "mp-744025",
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"structure_string": "Sr8 Mg3 Fe1 Mo4 O24\n1.0\n11.251058 -0.023556 0.021819\n5.619645 4.584206 -3.227697\n0.003690 0.063987 9.850300\nSr Mg Fe Mo O\n8 3 1 4 24\ndirect\n0.121434 0.248232 0.250007 Sr\n0.122216 0.757173 0.249171 Sr\n0.377784 0.242827 0.750829 Sr\n0.628827 0.251399 0.249994 Sr\n0.378566 0.751768 0.749993 Sr\n0.628464 0.741160 0.249470 Sr\n0.871536 0.258840 0.750530 Sr\n0.871173 0.748601 0.750006 Sr\n0.001280 0.997340 0.997413 Mg\n0.498720 0.002660 0.002587 Mg\n0.750000 0.000000 0.500000 Mg\n0.250000 0.000000 0.500000 Fe\n0.250000 0.500000 0.500000 Mo\n0.501132 0.497892 0.997772 Mo\n0.750000 0.500000 0.500000 Mo\n0.998868 0.502108 0.002228 Mo\n0.037783 0.218605 0.994812 O\n0.122590 0.254819 0.755042 O\n0.009280 0.706695 0.499938 O\n0.238964 0.297935 0.002970 O\n0.285956 0.218719 0.500113 O\n0.369460 0.261080 0.261230 O\n0.130540 0.738920 0.738770 O\n0.214044 0.781281 0.499887 O\n0.261036 0.702065 0.997030 O\n0.490720 0.293305 0.500062 O\n0.532456 0.229529 0.005415 O\n0.377410 0.745181 0.244958 O\n0.620635 0.259315 0.758932 O\n0.462217 0.781395 0.005188 O\n0.497029 0.718782 0.499968 O\n0.741857 0.292322 0.997238 O\n0.782157 0.225575 0.499107 O\n0.874588 0.249884 0.250675 O\n0.625412 0.750116 0.749325 O\n0.717843 0.774425 0.500893 O\n0.758143 0.707678 0.002762 O\n0.002971 0.281218 0.500032 O\n0.879365 0.740685 0.241068 O\n0.967544 0.770471 0.994585 O\n",
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"formula_full": "Sr8 Mg3 Fe1 Mo4 O24",
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"spacegroup": 87
},
{
"id": "mp-766132",
"created_at": "2022-09-04T14:46:07.684945Z",
"structure_string": "Li8 Zr4 Fe4 P12 O48\n1.0\n8.790964 0.000000 0.000000\n0.000000 8.940658 0.000000\n0.000000 0.000000 12.378666\nLi Zr Fe P O\n8 4 4 12 48\ndirect\n0.965123 0.727050 0.822614 Li\n0.969039 0.783845 0.183556 Li\n0.030961 0.216155 0.683556 Li\n0.034877 0.272950 0.322614 Li\n0.469039 0.716155 0.683556 Li\n0.465123 0.772950 0.322614 Li\n0.534877 0.227050 0.822614 Li\n0.530961 0.283845 0.183556 Li\n0.998320 0.539595 0.614220 Zr\n0.001680 0.460405 0.114220 Zr\n0.498320 0.960405 0.114220 Zr\n0.501680 0.039595 0.614220 Zr\n0.996325 0.958973 0.389786 Fe\n0.003675 0.041027 0.889786 Fe\n0.496325 0.541027 0.889786 Fe\n0.503675 0.458973 0.389786 Fe\n0.792996 0.248818 0.494588 P\n0.849255 0.389418 0.852174 P\n0.859871 0.101747 0.148068 P\n0.150745 0.610582 0.352174 P\n0.140129 0.898253 0.648068 P\n0.207004 0.751182 0.994588 P\n0.292996 0.251182 0.994588 P\n0.349255 0.110582 0.352174 P\n0.359871 0.398253 0.648068 P\n0.640129 0.601747 0.148068 P\n0.650745 0.889418 0.852174 P\n0.707004 0.748818 0.494588 P\n0.803254 0.641515 0.564323 O\n0.805047 0.857445 0.429852 O\n0.825012 0.893749 0.843370 O\n0.817137 0.607311 0.156527 O\n0.898936 0.161872 0.417882 O\n0.898876 0.332758 0.576475 O\n0.907257 0.067710 0.031328 O\n0.899848 0.427778 0.968957 O\n0.912388 0.234253 0.819735 O\n0.918507 0.259982 0.182719 O\n0.919974 0.513201 0.778068 O\n0.924102 0.982948 0.225760 O\n0.075898 0.017052 0.725760 O\n0.080026 0.486799 0.278068 O\n0.087612 0.765747 0.319735 O\n0.081493 0.740018 0.682719 O\n0.100152 0.572222 0.468957 O\n0.092743 0.932290 0.531328 O\n0.101064 0.838128 0.917882 O\n0.101124 0.667242 0.076475 O\n0.174988 0.106251 0.343370 O\n0.182863 0.392689 0.656527 O\n0.194953 0.142555 0.929852 O\n0.196746 0.358485 0.064323 O\n0.305047 0.642555 0.929852 O\n0.303254 0.858485 0.064323 O\n0.325012 0.606251 0.343370 O\n0.317137 0.892689 0.656527 O\n0.398936 0.338128 0.917882 O\n0.398876 0.167242 0.076475 O\n0.399848 0.072222 0.468957 O\n0.407257 0.432290 0.531328 O\n0.418507 0.240018 0.682719 O\n0.412388 0.265747 0.319735 O\n0.424102 0.517052 0.725760 O\n0.419974 0.986799 0.278068 O\n0.580026 0.013201 0.778068 O\n0.575898 0.482948 0.225760 O\n0.587612 0.734253 0.819735 O\n0.581493 0.759982 0.182719 O\n0.592743 0.567710 0.031328 O\n0.600152 0.927778 0.968957 O\n0.601064 0.661872 0.417882 O\n0.601124 0.832758 0.576475 O\n0.682863 0.107311 0.156527 O\n0.674988 0.393749 0.843370 O\n0.696746 0.141515 0.564323 O\n0.694953 0.357445 0.429852 O\n",
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"elements": [
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"P",
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],
"chemical_system": "Fe-Li-O-P-Zr",
"density": 3.0439164346744354,
"density_atomic": 0.07811487879425698,
"volume": 972.9260439636954,
"volume_molar": 7.709338928709635,
"formula_full": "Li8 Zr4 Fe4 P12 O48",
"formula_reduced": "Li2ZrFe(PO4)3",
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"spacegroup": 33
},
{
"id": "mp-1216408",
"created_at": "2022-09-04T14:46:07.688034Z",
"structure_string": "Zr2 Ti3 Pb5 O15\n1.0\n3.114964 5.019009 0.000000\n-3.114964 5.019009 0.000000\n0.000000 4.651147 25.232244\nZr Ti Pb O\n2 3 5 15\ndirect\n0.939757 0.939757 0.584092 Zr\n0.337341 0.337341 0.377810 Zr\n0.732008 0.732008 0.176943 Ti\n0.130544 0.130544 0.981146 Ti\n0.535077 0.535077 0.784263 Ti\n0.242733 0.242733 0.536609 Pb\n0.640567 0.640567 0.329714 Pb\n0.042348 0.042348 0.135051 Pb\n0.442203 0.442203 0.938446 Pb\n0.844706 0.844706 0.743522 Pb\n0.919753 0.919753 0.659762 O\n0.321740 0.321740 0.453273 O\n0.724418 0.724418 0.246274 O\n0.120956 0.120956 0.050772 O\n0.520176 0.520176 0.854135 O\n0.717625 0.239104 0.758265 O\n0.123094 0.618660 0.555710 O\n0.520190 0.013530 0.350602 O\n0.913667 0.432448 0.152471 O\n0.312871 0.833384 0.955697 O\n0.239104 0.717625 0.758265 O\n0.618660 0.123094 0.555710 O\n0.013530 0.520190 0.350602 O\n0.432448 0.913667 0.152471 O\n0.833384 0.312871 0.955697 O\n",
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"elements": [
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],
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"volume": 788.9634379523009,
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"formula_full": "Zr2 Ti3 Pb5 O15",
"formula_reduced": "Zr2Ti3(PbO3)5",
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"energy": -190.86368477,
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"spacegroup": 8
},
{
"id": "mp-1181515",
"created_at": "2022-09-04T14:46:11.723781Z",
"structure_string": "Dy4 Ge6 Rh7\n1.0\n-4.209278 4.209278 4.209278\n4.209278 -4.209278 4.209278\n4.209278 4.209278 -4.209278\nDy Ge Rh\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.500000 0.000000 Dy\n0.500000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.679815 0.679815 0.000000 Ge\n0.320185 0.000000 0.320185 Ge\n0.000000 0.320185 0.320185 Ge\n0.320185 0.320185 0.000000 Ge\n0.679815 0.000000 0.679815 Ge\n0.000000 0.679815 0.679815 Ge\n0.750000 0.250000 0.500000 Rh\n0.750000 0.500000 0.250000 Rh\n0.500000 0.250000 0.750000 Rh\n0.250000 0.500000 0.750000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.750000 0.250000 Rh\n0.000000 0.000000 0.000000 Rh\n",
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"elements": [
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],
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"density": 10.053723708109318,
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"volume": 298.3203087313623,
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"formula_full": "Dy4 Ge6 Rh7",
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{
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"created_at": "2022-09-04T14:46:11.746639Z",
"structure_string": "Al22 N2 O34\n1.0\n2.827440 -4.897269 0.000000\n2.827440 4.897269 0.000000\n0.000000 0.000000 23.021542\nAl N O\n22 2 34\ndirect\n0.167336 0.334671 0.606196 Al\n0.832664 0.665329 0.393804 Al\n0.665329 0.832664 0.606196 Al\n0.832664 0.665329 0.106196 Al\n0.334671 0.167336 0.393804 Al\n0.167336 0.334671 0.893804 Al\n0.167336 0.832664 0.606196 Al\n0.334671 0.167336 0.106196 Al\n0.832664 0.167336 0.393804 Al\n0.665329 0.832664 0.893804 Al\n0.832664 0.167336 0.106196 Al\n0.167336 0.832664 0.893804 Al\n0.333333 0.666667 0.174714 Al\n0.666667 0.333333 0.825286 Al\n0.666667 0.333333 0.674714 Al\n0.333333 0.666667 0.325286 Al\n0.333333 0.666667 0.024587 Al\n0.666667 0.333333 0.975413 Al\n0.666667 0.333333 0.524587 Al\n0.333333 0.666667 0.475413 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 0.750000 N\n0.666667 0.333333 0.250000 N\n0.500137 0.000275 0.143538 O\n0.499863 0.999725 0.856462 O\n0.999725 0.499863 0.143538 O\n0.499863 0.999725 0.643538 O\n0.000275 0.500137 0.856462 O\n0.500137 0.000275 0.356462 O\n0.500137 0.499863 0.143538 O\n0.000275 0.500137 0.643538 O\n0.499863 0.500137 0.856462 O\n0.999725 0.499863 0.356462 O\n0.499863 0.500137 0.643538 O\n0.500137 0.499863 0.356462 O\n0.157151 0.314303 0.049130 O\n0.842849 0.685697 0.950870 O\n0.685697 0.842849 0.049130 O\n0.842849 0.685697 0.549130 O\n0.314303 0.157151 0.950870 O\n0.157151 0.314303 0.450870 O\n0.157151 0.842849 0.049130 O\n0.314303 0.157151 0.549130 O\n0.842849 0.157151 0.950870 O\n0.685697 0.842849 0.450870 O\n0.842849 0.157151 0.549130 O\n0.157151 0.842849 0.450870 O\n0.333333 0.666667 0.555301 O\n0.666667 0.333333 0.444699 O\n0.666667 0.333333 0.055301 O\n0.333333 0.666667 0.944699 O\n0.333333 0.666667 0.250000 O\n0.666667 0.333333 0.750000 O\n0.000000 0.000000 0.139951 O\n0.000000 0.000000 0.860049 O\n0.000000 0.000000 0.639951 O\n0.000000 0.000000 0.360049 O\n",
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"formula_full": "Al22 N2 O34",
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{
"id": "mp-1517659",
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"structure_string": "Na1 Eu1 Dy1 Sb1 O6\n1.0\n-0.000000 -4.170639 -4.170639\n4.170639 0.000000 -4.170639\n4.170639 -4.170639 -0.000000\nNa Eu Dy Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n0.737306 0.262694 0.262694 O\n0.262694 0.737306 0.737306 O\n0.737306 0.262694 0.737306 O\n0.262694 0.737306 0.262694 O\n0.737306 0.737306 0.262694 O\n0.262694 0.262694 0.737306 O\n",
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"formula_full": "Na1 Eu1 Dy1 Sb1 O6",
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{
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"structure_string": "Yb2 Cu3 Te4 Cl4 O12\n1.0\n-5.569398 0.000000 0.000000\n2.085711 7.849596 0.000000\n-0.328539 -1.659425 -9.577028\nYb Cu Te Cl O\n2 3 4 4 12\ndirect\n0.689500 0.829519 0.990140 Yb\n0.310500 0.170481 0.009860 Yb\n0.603641 0.596376 0.301046 Cu\n0.396359 0.403624 0.698954 Cu\n0.000000 0.500000 0.000000 Cu\n0.828013 0.163287 0.764694 Te\n0.171987 0.836713 0.235306 Te\n0.198142 0.757269 0.755922 Te\n0.801858 0.242731 0.244078 Te\n0.253260 0.545338 0.418706 Cl\n0.746740 0.454662 0.581294 Cl\n0.721445 0.856229 0.425242 Cl\n0.278555 0.143771 0.574758 Cl\n0.573908 0.050972 0.141512 O\n0.426092 0.949028 0.858488 O\n0.868150 0.645302 0.178961 O\n0.131850 0.354698 0.821039 O\n0.947420 0.019694 0.862739 O\n0.052580 0.980306 0.137261 O\n0.324857 0.694751 0.101504 O\n0.675143 0.305249 0.898496 O\n0.970300 0.674668 0.894630 O\n0.029700 0.325332 0.105370 O\n0.446798 0.635987 0.780592 O\n0.553202 0.364013 0.219408 O\n",
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{
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"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.489664 0.000000 0.000000\n0.000000 4.489664 0.000000\n0.000000 0.000000 6.334665\nSn Te Pb Se\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Se\n",
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