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{
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"results": [
{
"id": "mp-1218345",
"created_at": "2022-09-04T14:41:09.958696Z",
"structure_string": "Sr1 Ca1 Al4\n1.0\n0.000000 4.075646 4.075646\n4.075646 0.000000 4.075646\n4.075646 4.075646 0.000000\nSr Ca Al\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ca\n0.625577 0.124808 0.124808 Al\n0.124808 0.625577 0.124808 Al\n0.124808 0.124808 0.625577 Al\n0.124808 0.124808 0.124808 Al\n",
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},
{
"id": "mp-1207537",
"created_at": "2022-09-04T14:41:10.006936Z",
"structure_string": "Yb4 Ga4 O12\n1.0\n5.365648 0.000000 0.000000\n0.000000 5.619347 0.000000\n0.000000 0.000000 7.425216\nYb Ga O\n4 4 12\ndirect\n0.019388 0.432250 0.250000 Yb\n0.980612 0.567750 0.750000 Yb\n0.519388 0.067750 0.750000 Yb\n0.480612 0.932250 0.250000 Yb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.302755 0.204849 0.048604 O\n0.697245 0.795151 0.951396 O\n0.802755 0.295151 0.951396 O\n0.697245 0.795151 0.548604 O\n0.197245 0.704849 0.048604 O\n0.302755 0.204849 0.451396 O\n0.197245 0.704849 0.451396 O\n0.802755 0.295151 0.548604 O\n0.601560 0.530575 0.250000 O\n0.398440 0.469425 0.750000 O\n0.101560 0.969425 0.750000 O\n0.898440 0.030575 0.250000 O\n",
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"elements": [
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"Ga",
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],
"chemical_system": "Ga-O-Yb",
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"formula_full": "Yb4 Ga4 O12",
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"updated_at": "2021-11-28T01:35:11.992000Z",
"spacegroup": 62
},
{
"id": "mp-1245181",
"created_at": "2022-09-04T14:41:10.009676Z",
"structure_string": "Ga50 N50\n1.0\n11.011208 -0.249650 -0.068165\n-0.243678 11.200880 0.332581\n-0.055697 0.329182 12.096752\nGa N\n50 50\ndirect\n0.960159 0.656382 0.588299 Ga\n0.314826 0.402672 0.366954 Ga\n0.850706 0.325865 0.888868 Ga\n0.723071 0.794116 0.373010 Ga\n0.378476 0.182390 0.313939 Ga\n0.666690 0.675682 0.594710 Ga\n0.636192 0.848216 0.823433 Ga\n0.212013 0.649488 0.319757 Ga\n0.418604 0.317907 0.148570 Ga\n0.923681 0.698638 0.004350 Ga\n0.030066 0.837831 0.813889 Ga\n0.063162 0.953507 0.052365 Ga\n0.779669 0.421958 0.689290 Ga\n0.606738 0.186982 0.008688 Ga\n0.097444 0.194862 0.439336 Ga\n0.426650 0.771034 0.954229 Ga\n0.742773 0.264248 0.374933 Ga\n0.648929 0.447872 0.026725 Ga\n0.800715 0.519215 0.190498 Ga\n0.990426 0.126099 0.727859 Ga\n0.873109 0.036664 0.398111 Ga\n0.274286 0.555881 0.144398 Ga\n0.983420 0.339948 0.288052 Ga\n0.549377 0.539135 0.282718 Ga\n0.365291 0.529973 0.531683 Ga\n0.637116 0.056437 0.352157 Ga\n0.117254 0.139567 0.194484 Ga\n0.990240 0.646419 0.263338 Ga\n0.216808 0.727798 0.531484 Ga\n0.794629 0.997068 0.903672 Ga\n0.008692 0.424243 0.051353 Ga\n0.468259 0.713139 0.390295 Ga\n0.220512 0.427175 0.675717 Ga\n0.063479 0.507082 0.454754 Ga\n0.456243 0.932337 0.212313 Ga\n0.066851 0.166060 0.932195 Ga\n0.833526 0.886968 0.644630 Ga\n0.602411 0.740871 0.109137 Ga\n0.393563 0.755528 0.672845 Ga\n0.011042 0.869945 0.360435 Ga\n0.843956 0.133823 0.102065 Ga\n0.807583 0.838990 0.134474 Ga\n0.218330 0.191540 0.688212 Ga\n0.132043 0.585198 0.800886 Ga\n0.217522 0.876558 0.215669 Ga\n0.210009 0.691267 0.970648 Ga\n0.148060 0.953806 0.574285 Ga\n0.302610 0.964698 0.419464 Ga\n0.751544 0.493788 0.423749 Ga\n0.820645 0.638741 0.836562 Ga\n0.455469 0.167919 0.528951 N\n0.035992 0.396505 0.623795 N\n0.508597 0.383727 0.577320 N\n0.093944 0.116103 0.584595 N\n0.055180 0.803621 0.518048 N\n0.071987 0.802733 0.971952 N\n0.953751 0.575463 0.116799 N\n0.986354 0.674703 0.749155 N\n0.629316 0.950240 0.629447 N\n0.477997 0.535556 0.869117 N\n0.904688 0.493097 0.335075 N\n0.727510 0.743735 0.732098 N\n0.245025 0.283827 0.908915 N\n0.523789 0.324499 0.026219 N\n0.358813 0.014179 0.960302 N\n0.261990 0.384190 0.897367 N\n0.676512 0.073372 0.187553 N\n0.736589 0.158035 0.587904 N\n0.132593 0.365535 0.387440 N\n0.642043 0.569865 0.140401 N\n0.228363 0.298375 0.120827 N\n0.178333 0.396783 0.118059 N\n0.523940 0.147832 0.832638 N\n0.875228 0.778666 0.279737 N\n0.168329 0.939500 0.742666 N\n0.304579 0.785474 0.389272 N\n0.794116 0.560805 0.573422 N\n0.563199 0.798644 0.265215 N\n0.198678 0.033098 0.790638 N\n0.879351 0.307388 0.139707 N\n0.762133 0.182863 0.674411 N\n0.909737 0.967703 0.778067 N\n0.560213 0.930949 0.561843 N\n0.916100 0.205265 0.385602 N\n0.457941 0.031830 0.345257 N\n0.212524 0.110644 0.340890 N\n0.469159 0.488738 0.790458 N\n0.769762 0.352170 0.159887 N\n0.950421 0.332218 0.647351 N\n0.765762 0.171180 0.950128 N\n0.883744 0.974951 0.053038 N\n0.394872 0.120932 0.594225 N\n0.610716 0.373488 0.576843 N\n0.338277 0.079313 0.023469 N\n0.400791 0.465425 0.221450 N\n0.492161 0.670108 0.561136 N\n0.469069 0.806887 0.804446 N\n0.581693 0.056761 0.124675 N\n0.514966 0.219187 0.765379 N\n0.756313 0.473222 0.897569 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.665709487811853,
"density_atomic": 0.0671149169066183,
"volume": 1489.9817299801923,
"volume_molar": 8.97287970776903,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -563.58281287,
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"updated_at": "2021-11-28T01:35:24.538000Z",
"spacegroup": 1
},
{
"id": "mp-585241",
"created_at": "2022-09-04T14:41:09.487365Z",
"structure_string": "Li4 Bi8 P12 O48\n1.0\n9.319793 0.000000 0.000000\n0.000000 8.981119 0.000000\n0.000000 8.715545 12.769494\nLi Bi P O\n4 8 12 48\ndirect\n0.277619 0.030139 0.682342 Li\n0.777619 0.969861 0.817658 Li\n0.222381 0.030139 0.182342 Li\n0.722381 0.969861 0.317658 Li\n0.457474 0.853729 0.894197 Bi\n0.542526 0.146271 0.105803 Bi\n0.957474 0.146271 0.605803 Bi\n0.961616 0.373377 0.878913 Bi\n0.042526 0.853729 0.394197 Bi\n0.461616 0.626623 0.621087 Bi\n0.038384 0.626623 0.121087 Bi\n0.538384 0.373377 0.378913 Bi\n0.755895 0.547341 0.994831 P\n0.129776 0.742940 0.660992 P\n0.597190 0.959871 0.644708 P\n0.744105 0.547341 0.494831 P\n0.402810 0.040129 0.355292 P\n0.902810 0.959871 0.144708 P\n0.870224 0.257060 0.339008 P\n0.255895 0.452659 0.505169 P\n0.629776 0.257060 0.839008 P\n0.244105 0.452659 0.005169 P\n0.370224 0.742940 0.160992 P\n0.097190 0.040129 0.855292 P\n0.384301 0.219542 0.350832 O\n0.972507 0.057649 0.784494 O\n0.242109 0.016604 0.815354 O\n0.117195 0.489860 0.929686 O\n0.615699 0.780458 0.649168 O\n0.884301 0.780458 0.149168 O\n0.512230 0.407174 0.781179 O\n0.637961 0.412049 0.062561 O\n0.434375 0.884104 0.469699 O\n0.785304 0.335215 0.800981 O\n0.385923 0.887488 0.184355 O\n0.487770 0.592826 0.218821 O\n0.862039 0.412049 0.562561 O\n0.742109 0.983396 0.684646 O\n0.609080 0.176206 0.955511 O\n0.214696 0.664785 0.199019 O\n0.065625 0.884104 0.969699 O\n0.362039 0.587951 0.937439 O\n0.934375 0.115896 0.030301 O\n0.472507 0.942351 0.715506 O\n0.805428 0.525439 0.905325 O\n0.890920 0.176206 0.455511 O\n0.027493 0.942351 0.215506 O\n0.700594 0.743050 0.937088 O\n0.382805 0.489860 0.429686 O\n0.565625 0.115896 0.530301 O\n0.257891 0.016604 0.315354 O\n0.390920 0.823794 0.044489 O\n0.757891 0.983396 0.184646 O\n0.527493 0.057649 0.284494 O\n0.694572 0.525439 0.405325 O\n0.012230 0.592826 0.718821 O\n0.305428 0.474561 0.594675 O\n0.194572 0.474561 0.094675 O\n0.115699 0.219542 0.850832 O\n0.882805 0.510140 0.070314 O\n0.799406 0.743050 0.437088 O\n0.614077 0.112512 0.815645 O\n0.137961 0.587951 0.437439 O\n0.114077 0.887488 0.684355 O\n0.109080 0.823794 0.544489 O\n0.885923 0.112512 0.315645 O\n0.285304 0.664785 0.699019 O\n0.617195 0.510140 0.570314 O\n0.200594 0.256950 0.562912 O\n0.714696 0.335215 0.300981 O\n0.299406 0.256950 0.062912 O\n0.987770 0.407174 0.281179 O\n",
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"elements": [
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],
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"density_atomic": 0.06736310401879736,
"volume": 1068.8343574534324,
"volume_molar": 8.939820763484342,
"formula_full": "Li4 Bi8 P12 O48",
"formula_reduced": "LiBi2(PO4)3",
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"energy": -506.91950247,
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"spacegroup": 14
},
{
"id": "mp-1200359",
"created_at": "2022-09-04T14:41:09.492038Z",
"structure_string": "Na12 Cu7 O14\n1.0\n9.972719 4.174404 0.000000\n-9.972719 4.174404 0.000000\n0.000000 2.040847 5.345965\nNa Cu O\n12 7 14\ndirect\n0.156958 0.615718 0.391960 Na\n0.615718 0.156958 0.391960 Na\n0.769705 0.461242 0.611332 Na\n0.461242 0.769705 0.611332 Na\n0.622681 0.622681 0.614709 Na\n0.306273 0.456290 0.387736 Na\n0.456290 0.306273 0.387736 Na\n0.227651 0.896760 0.655491 Na\n0.896760 0.227651 0.655491 Na\n0.024616 0.858361 0.324790 Na\n0.858361 0.024616 0.324790 Na\n0.058632 0.058632 0.672296 Na\n0.461535 0.033506 0.997552 Cu\n0.033506 0.461535 0.997552 Cu\n0.334806 0.192371 0.975759 Cu\n0.192371 0.334806 0.975759 Cu\n0.880699 0.595715 0.019531 Cu\n0.595715 0.880699 0.019531 Cu\n0.739927 0.739927 0.025272 Cu\n0.581227 0.006869 0.772968 O\n0.006869 0.581227 0.772968 O\n0.466781 0.901881 0.246439 O\n0.901881 0.466781 0.246439 O\n0.460147 0.167376 0.741653 O\n0.167376 0.460147 0.741653 O\n0.321034 0.321034 0.730586 O\n0.885826 0.740725 0.768459 O\n0.740725 0.885826 0.768459 O\n0.345565 0.062099 0.231100 O\n0.062099 0.345565 0.231100 O\n0.186079 0.186079 0.230435 O\n0.754004 0.606844 0.268530 O\n0.606844 0.754004 0.268530 O\n",
"nsites": 33,
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"density": 3.5243142913938423,
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"volume": 445.10673612815145,
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"formula_full": "Na12 Cu7 O14",
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"energy": -158.92774212999998,
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"spacegroup": 8
},
{
"id": "mp-1207851",
"created_at": "2022-09-04T14:41:09.493525Z",
"structure_string": "Tm4 Si12 Ni20\n1.0\n0.000000 -3.746261 0.000000\n-18.573459 0.000000 0.000000\n0.000000 0.000000 -6.646628\nTm Si Ni\n4 12 20\ndirect\n0.750000 0.643895 0.122686 Tm\n0.250000 0.356105 0.877314 Tm\n0.250000 0.856105 0.622686 Tm\n0.750000 0.143895 0.377314 Tm\n0.750000 0.737751 0.622199 Si\n0.250000 0.262249 0.377801 Si\n0.250000 0.762249 0.122199 Si\n0.750000 0.237751 0.877801 Si\n0.750000 0.924773 0.347754 Si\n0.250000 0.075227 0.652246 Si\n0.250000 0.575227 0.847754 Si\n0.750000 0.424773 0.152246 Si\n0.750000 0.914783 0.911517 Si\n0.250000 0.085217 0.088483 Si\n0.250000 0.585217 0.411517 Si\n0.750000 0.414783 0.588483 Si\n0.750000 0.800114 0.316818 Ni\n0.250000 0.199886 0.683182 Ni\n0.250000 0.699886 0.816818 Ni\n0.750000 0.300114 0.183182 Ni\n0.750000 0.994765 0.631791 Ni\n0.250000 0.005235 0.368209 Ni\n0.250000 0.505235 0.131791 Ni\n0.750000 0.494765 0.868209 Ni\n0.750000 0.513730 0.381814 Ni\n0.250000 0.486270 0.618186 Ni\n0.250000 0.986270 0.881814 Ni\n0.750000 0.013730 0.118186 Ni\n0.750000 0.793987 0.929929 Ni\n0.250000 0.206013 0.070071 Ni\n0.250000 0.706013 0.429929 Ni\n0.750000 0.293987 0.570071 Ni\n0.750000 0.614100 0.641945 Ni\n0.250000 0.385900 0.358055 Ni\n0.250000 0.885900 0.141945 Ni\n0.750000 0.114100 0.858055 Ni\n",
"nsites": 36,
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"elements": [
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"chemical_system": "Ni-Si-Tm",
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"volume": 462.47918961062067,
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"formula_full": "Tm4 Si12 Ni20",
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},
{
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