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{
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"results": [
{
"id": "mp-1233857",
"created_at": "2022-09-04T14:39:10.419046Z",
"structure_string": "Mg1 Ag14 Pb6 O18\n1.0\n-3.120316 5.302003 6.456388\n3.199218 5.342992 -6.451850\n-6.058427 -0.050308 -6.336214\nMg Ag Pb O\n1 14 6 18\ndirect\n0.475171 0.961311 0.567180 Mg\n0.842960 0.160584 0.680057 Ag\n0.170168 0.322520 0.841748 Ag\n0.700891 0.828356 0.872592 Ag\n0.328774 0.161029 0.167195 Ag\n0.104132 0.920674 0.940566 Ag\n0.255842 0.718035 0.786609 Ag\n0.419466 0.585895 0.591357 Ag\n0.593985 0.407198 0.416816 Ag\n0.750543 0.233021 0.262546 Ag\n0.909086 0.060900 0.090153 Ag\n0.003122 0.488133 0.516397 Ag\n0.832082 0.642992 0.194219 Ag\n0.157780 0.820056 0.345462 Ag\n0.497902 0.491412 0.007334 Ag\n0.503181 0.162525 0.835208 Pb\n0.834138 0.490406 0.846623 Pb\n0.172722 0.160219 0.504109 Pb\n0.842368 0.827583 0.524037 Pb\n0.166553 0.486898 0.180955 Pb\n0.503797 0.827124 0.195797 Pb\n0.774080 0.219632 0.864193 O\n0.562621 0.431662 0.817959 O\n0.902769 0.098686 0.492113 O\n0.233732 0.140538 0.776054 O\n0.877821 0.761644 0.797855 O\n0.481562 0.910215 0.806525 O\n0.103313 0.502429 0.906382 O\n0.441112 0.176342 0.547093 O\n0.816060 0.555363 0.572995 O\n0.518007 0.109795 0.103857 O\n0.191056 0.425915 0.456060 O\n0.895842 0.463991 0.122462 O\n0.564256 0.833896 0.477119 O\n0.140409 0.217158 0.231904 O\n0.788391 0.837544 0.257222 O\n0.430994 0.541413 0.198503 O\n0.121643 0.892710 0.538419 O\n0.215380 0.750489 0.163740 O\n",
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"formula_full": "Mg1 Ag14 Pb6 O18",
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"spacegroup": 1
},
{
"id": "mp-25457",
"created_at": "2022-09-04T14:39:07.472204Z",
"structure_string": "Li8 Fe4 P4 C4 O28\n1.0\n5.092034 -0.000030 0.143230\n0.314691 6.401654 8.547636\n0.314769 -6.401523 8.547535\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.785143 0.400238 0.387664 Li\n0.785145 0.900238 0.887664 Li\n0.214858 0.599763 0.612335 Li\n0.214856 0.099763 0.112335 Li\n0.214851 0.362335 0.849765 Li\n0.214849 0.862336 0.349765 Li\n0.785151 0.637666 0.150234 Li\n0.785153 0.137664 0.650234 Li\n0.786071 0.051643 0.301524 Fe\n0.213931 0.948357 0.698476 Fe\n0.786257 0.551741 0.801414 Fe\n0.213707 0.448264 0.198604 Fe\n0.727364 0.337154 0.087115 P\n0.727389 0.837145 0.587125 P\n0.272634 0.662845 0.912884 P\n0.272612 0.162854 0.412874 P\n0.742878 0.404896 0.654899 C\n0.742899 0.904894 0.154895 C\n0.257125 0.595104 0.345101 C\n0.257103 0.095105 0.845105 C\n0.973860 0.434917 0.684920 O\n0.973859 0.934912 0.184915 O\n0.026141 0.565082 0.315079 O\n0.026142 0.065087 0.815084 O\n0.457883 0.541976 0.291978 O\n0.457903 0.041979 0.791982 O\n0.542119 0.458022 0.708023 O\n0.542099 0.958020 0.208018 O\n0.169072 0.579019 0.829011 O\n0.169076 0.079023 0.329011 O\n0.830930 0.420980 0.170989 O\n0.830926 0.920977 0.670989 O\n0.420620 0.347324 0.097341 O\n0.420627 0.847307 0.597330 O\n0.579380 0.652676 0.902659 O\n0.579374 0.152693 0.402669 O\n0.713886 0.832033 0.082034 O\n0.713894 0.332034 0.582033 O\n0.286115 0.167965 0.917966 O\n0.286106 0.667965 0.417967 O\n0.171984 0.805986 0.863024 O\n0.171990 0.305987 0.363023 O\n0.171887 0.613040 0.055982 O\n0.171891 0.113050 0.555976 O\n0.828114 0.386960 0.944018 O\n0.828109 0.886950 0.444023 O\n0.828017 0.194013 0.136975 O\n0.828011 0.694012 0.636976 O\n",
"nsites": 48,
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"elements": [
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"C",
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],
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"density": 2.6811661902134105,
"density_atomic": 0.08622610623415237,
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"volume_molar": 6.984126992405874,
"formula_full": "Li8 Fe4 P4 C4 O28",
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"spacegroup": 11
},
{
"id": "mp-1245202",
"created_at": "2022-09-04T14:39:07.787324Z",
"structure_string": "In40 O60\n1.0\n11.483386 -0.049829 -0.627868\n-0.066072 11.701189 -0.206708\n-0.629939 -0.184232 11.073846\nIn O\n40 60\ndirect\n0.453403 0.922392 0.773193 In\n0.757523 0.757784 0.258609 In\n0.048196 0.613511 0.395554 In\n0.859319 0.263368 0.994008 In\n0.852619 0.619556 0.878079 In\n0.523881 0.790947 0.507036 In\n0.827968 0.434832 0.260139 In\n0.432703 0.215433 0.837441 In\n0.447942 0.407534 0.577835 In\n0.986110 0.861495 0.481860 In\n0.178207 0.022361 0.605663 In\n0.636177 0.601476 0.041416 In\n0.163465 0.247422 0.932911 In\n0.112816 0.153798 0.205858 In\n0.301486 0.611898 0.270497 In\n0.471537 0.109892 0.534495 In\n0.642540 0.986410 0.002162 In\n0.794686 0.599930 0.554261 In\n0.271444 0.683797 0.607967 In\n0.548787 0.654560 0.767568 In\n0.310593 0.703021 0.977721 In\n0.073799 0.782187 0.788148 In\n0.594925 0.278932 0.132051 In\n0.244553 0.885059 0.315109 In\n0.574334 0.544774 0.323869 In\n0.509400 0.866633 0.229044 In\n0.088196 0.469210 0.084341 In\n0.956978 0.805945 0.118363 In\n0.345349 0.303504 0.270933 In\n0.952534 0.116028 0.571430 In\n0.290401 0.984008 0.006299 In\n0.665359 0.286611 0.467192 In\n0.159675 0.460156 0.749079 In\n0.901281 0.351817 0.716217 In\n0.742792 0.873861 0.745747 In\n0.810503 0.113231 0.253710 In\n0.085110 0.327585 0.438592 In\n0.391517 0.445994 0.003279 In\n0.719175 0.980372 0.489233 In\n0.956933 0.981494 0.965575 In\n0.013016 0.155206 0.014204 O\n0.732458 0.165370 0.079347 O\n0.653364 0.461278 0.163640 O\n0.290489 0.358079 0.846529 O\n0.785973 0.998448 0.890707 O\n0.603785 0.823904 0.857230 O\n0.654499 0.834023 0.388684 O\n0.633009 0.461163 0.505598 O\n0.195923 0.642105 0.777162 O\n0.948103 0.765819 0.304504 O\n0.683142 0.561170 0.868035 O\n0.462778 0.608090 0.944965 O\n0.523066 0.337406 0.960816 O\n0.277856 0.122992 0.887849 O\n0.717931 0.940106 0.182196 O\n0.203247 0.003192 0.167213 O\n0.792211 0.280216 0.823162 O\n0.190788 0.306959 0.118951 O\n0.250416 0.425771 0.502960 O\n0.035056 0.632634 0.943081 O\n0.884164 0.528403 0.709906 O\n0.058826 0.661006 0.076070 O\n0.528993 0.066047 0.866339 O\n0.759752 0.593957 0.357638 O\n0.138738 0.844145 0.631410 O\n0.595493 0.949045 0.618912 O\n0.414744 0.467629 0.222935 O\n0.123485 0.966593 0.416895 O\n0.827133 0.242929 0.565220 O\n0.908915 0.416021 0.098088 O\n0.415796 0.550006 0.676414 O\n0.580508 0.697635 0.191816 O\n0.957945 0.691425 0.537100 O\n0.424172 0.776838 0.655522 O\n0.671237 0.710872 0.631309 O\n0.803763 0.690042 0.077477 O\n0.438760 0.207151 0.159019 O\n0.063982 0.321466 0.634870 O\n0.728922 0.281288 0.295133 O\n0.955769 0.454267 0.408990 O\n0.873199 0.019655 0.403802 O\n0.212163 0.719176 0.412124 O\n0.109679 0.928778 0.902199 O\n0.318741 0.769813 0.173535 O\n0.183210 0.518738 0.559251 O\n0.472760 0.957269 0.076514 O\n0.355477 0.032707 0.638760 O\n0.450849 0.641985 0.408448 O\n0.893776 0.780684 0.813331 O\n0.323077 0.848422 0.879917 O\n0.253112 0.548376 0.044604 O\n0.970570 0.214205 0.289878 O\n0.464698 0.287860 0.433449 O\n0.142022 0.518320 0.270593 O\n0.051938 0.387716 0.886237 O\n0.614056 0.113760 0.432385 O\n0.422243 0.916761 0.385999 O\n0.214700 0.225265 0.364580 O\n0.867376 0.945606 0.619027 O\n0.483194 0.251654 0.667703 O\n",
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"elements": [
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],
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"volume": 1482.8686627786542,
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"formula_full": "In40 O60",
"formula_reduced": "In2O3",
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"energy": -565.41087496,
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"spacegroup": 1
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{
"id": "mp-546027",
"created_at": "2022-09-04T14:39:08.375821Z",
"structure_string": "Cr2 Bi2 O6\n1.0\n-3.237750 4.569093 -0.000015\n-4.842803 -0.000026 2.811866\n1.631085 4.587553 2.809194\nCr Bi O\n2 2 6\ndirect\n0.545497 0.727253 0.181744 Cr\n0.545456 0.227273 0.681821 Cr\n0.989772 0.505113 0.515344 Bi\n0.989928 0.005036 0.015107 Bi\n0.648845 0.949387 0.900658 O\n0.501117 0.449377 0.400667 O\n0.048707 0.049502 0.400667 O\n0.648828 0.901786 0.400676 O\n0.501126 0.549495 0.900651 O\n0.048724 0.401777 0.900664 O\n",
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"volume": 124.88149851156129,
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"formula_full": "Cr2 Bi2 O6",
"formula_reduced": "CrBiO3",
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},
{
"id": "mp-1034314",
"created_at": "2022-09-04T14:39:07.324157Z",
"structure_string": "Na1 Mg14 Ga1 O16\n1.0\n8.542859 0.000000 -0.000000\n0.000000 8.542859 0.000000\n0.000000 0.000000 4.289638\nNa Mg Ga O\n1 14 1 16\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n0.000000 0.244920 0.500000 Mg\n0.000000 0.755080 0.500000 Mg\n0.500000 0.246144 0.500000 Mg\n0.500000 0.753856 0.500000 Mg\n0.244920 -0.000000 0.500000 Mg\n0.246144 0.500000 0.500000 Mg\n0.755080 -0.000000 0.500000 Mg\n0.753856 0.500000 0.500000 Mg\n0.244598 0.244598 -0.000000 Mg\n0.244598 0.755402 -0.000000 Mg\n0.755402 0.244598 0.000000 Mg\n0.755402 0.755402 -0.000000 Mg\n0.500000 0.500000 -0.000000 Ga\n0.266553 -0.000000 -0.000000 O\n0.263658 0.500000 0.000000 O\n0.733447 -0.000000 -0.000000 O\n0.736342 0.500000 -0.000000 O\n0.251462 0.251462 0.500000 O\n0.251462 0.748538 0.500000 O\n0.748538 0.251462 0.500000 O\n0.748538 0.748538 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.266553 -0.000000 O\n0.000000 0.733447 -0.000000 O\n0.500000 0.263658 0.000000 O\n0.500000 0.736342 0.000000 O\n",
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"formula_full": "Na1 Mg14 Ga1 O16",
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"spacegroup": 123
},
{
"id": "mp-1233228",
"created_at": "2022-09-04T14:39:07.631144Z",
"structure_string": "Mg1 Sc4 Si4 O14\n1.0\n5.900981 0.111735 3.589396\n2.072339 5.526253 3.589396\n0.158017 0.111735 6.905097\nMg Sc Si O\n1 4 4 14\ndirect\n0.238119 0.238119 0.238119 Mg\n0.961294 0.526134 0.961294 Sc\n0.526134 0.961294 0.961294 Sc\n0.961294 0.961294 0.526134 Sc\n0.002786 0.002786 0.002786 Sc\n0.505940 0.997628 0.505940 Si\n0.997628 0.505940 0.505940 Si\n0.505940 0.505940 0.997628 Si\n0.505305 0.505305 0.505305 Si\n0.423218 0.819827 0.819827 O\n0.175059 0.576034 0.576034 O\n0.819827 0.423218 0.819827 O\n0.819827 0.819827 0.423218 O\n0.424559 0.424559 0.833973 O\n0.424559 0.833973 0.424559 O\n0.187850 0.575162 0.187850 O\n0.576034 0.175059 0.576034 O\n0.124432 0.124432 0.124432 O\n0.887176 0.887176 0.887176 O\n0.833973 0.424559 0.424559 O\n0.576034 0.576034 0.175059 O\n0.187850 0.187850 0.575162 O\n0.575162 0.187850 0.187850 O\n",
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"elements": [
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],
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"formula_full": "Mg1 Sc4 Si4 O14",
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{
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