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{
"id": "mp-1245302",
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"structure_string": "Ga50 N50\n1.0\n11.801894 -0.048440 0.092657\n-0.047907 11.818462 0.236814\n0.092274 0.244039 11.663112\nGa N\n50 50\ndirect\n0.256554 0.486292 0.367927 Ga\n0.075715 0.390932 0.459222 Ga\n0.816385 0.909555 0.038477 Ga\n0.146568 0.688313 0.768480 Ga\n0.204944 0.295490 0.186467 Ga\n0.399149 0.027158 0.720927 Ga\n0.557965 0.829584 0.741285 Ga\n0.916438 0.243362 0.412381 Ga\n0.441726 0.204850 0.526908 Ga\n0.575183 0.069964 0.119325 Ga\n0.155442 0.709444 0.366958 Ga\n0.157555 0.911567 0.218865 Ga\n0.469995 0.371618 0.314570 Ga\n0.738873 0.443628 0.322118 Ga\n0.017383 0.323663 0.709709 Ga\n0.680788 0.042889 0.860077 Ga\n0.198107 0.162029 0.582752 Ga\n0.323531 0.432096 0.840208 Ga\n0.974042 0.586263 0.653709 Ga\n0.379746 0.529590 0.118504 Ga\n0.652968 0.190383 0.355844 Ga\n0.301828 0.390640 0.595442 Ga\n0.875200 0.579268 0.409611 Ga\n0.865944 0.154215 0.895157 Ga\n0.584307 0.627625 0.389942 Ga\n0.981195 0.719935 0.926269 Ga\n0.837454 0.571866 0.097594 Ga\n0.358135 0.735547 0.145508 Ga\n0.570650 0.827499 0.974059 Ga\n0.831186 0.067459 0.196995 Ga\n0.855468 0.448254 0.888602 Ga\n0.906802 0.120814 0.608664 Ga\n0.208158 0.919937 0.551896 Ga\n0.714397 0.631335 0.588357 Ga\n0.960648 0.851061 0.307816 Ga\n0.113568 0.493108 0.878125 Ga\n0.687528 0.283109 0.788072 Ga\n0.764360 0.883066 0.588145 Ga\n0.726971 0.711849 0.861034 Ga\n0.745445 0.760758 0.289870 Ga\n0.787558 0.380779 0.572009 Ga\n0.936434 0.327685 0.211824 Ga\n0.062880 0.090730 0.095330 Ga\n0.663193 0.980771 0.422582 Ga\n0.593748 0.462340 0.966047 Ga\n0.347223 0.781218 0.713255 Ga\n0.398301 0.669225 0.894644 Ga\n0.378193 0.724871 0.411520 Ga\n0.627023 0.109227 0.633728 Ga\n0.713650 0.309684 0.077888 Ga\n0.536597 0.550285 0.660409 N\n0.286346 0.954184 0.921389 N\n0.545068 0.931887 0.257501 N\n0.773358 0.032887 0.643635 N\n0.873144 0.738516 0.393019 N\n0.702591 0.761136 0.688329 N\n0.946279 0.186424 0.749502 N\n0.267253 0.798824 0.257508 N\n0.218950 0.136837 0.353878 N\n0.390836 0.247209 0.960302 N\n0.699467 0.168325 0.185117 N\n0.726091 0.548843 0.898253 N\n0.335366 0.650002 0.595494 N\n0.960974 0.491369 0.520655 N\n0.198706 0.168548 0.824082 N\n0.978506 0.001102 0.506444 N\n0.917030 0.092604 0.339220 N\n0.395271 0.985243 0.501119 N\n0.580734 0.483832 0.325844 N\n0.844976 0.796383 0.932728 N\n0.080406 0.630727 0.161023 N\n0.138949 0.563921 0.126827 N\n0.197963 0.938603 0.957656 N\n0.420287 0.786079 0.004552 N\n0.577898 0.581363 0.121557 N\n0.426970 0.508949 0.952397 N\n0.980144 0.463023 0.777035 N\n0.655933 0.960271 0.010647 N\n0.641545 0.657323 0.113378 N\n0.020488 0.410792 0.998094 N\n0.458081 0.918127 0.467762 N\n0.145693 0.320198 0.605632 N\n0.213143 0.042127 0.337769 N\n0.271718 0.572197 0.614442 N\n0.494915 0.225784 0.371688 N\n0.824204 0.896060 0.207981 N\n0.465168 0.188354 0.949247 N\n0.044297 0.342625 0.077219 N\n0.051045 0.967178 0.766983 N\n0.803602 0.415978 0.166590 N\n0.758241 0.303969 0.420699 N\n0.511896 0.457494 0.675234 N\n0.514280 0.839992 0.245745 N\n0.161285 0.206342 0.903676 N\n0.952978 0.002968 0.401746 N\n0.910282 0.060455 0.036252 N\n0.560813 0.994588 0.756757 N\n0.987112 0.900402 0.744748 N\n0.333703 0.409579 0.228580 N\n0.795181 0.298744 0.926887 N\n",
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"elements": [
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"chemical_system": "Ga-N",
"density": 4.2755149663477905,
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"volume": 1625.9613050011733,
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"formula_full": "Ga50 N50",
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"spacegroup": 1
},
{
"id": "mp-1017567",
"created_at": "2022-09-04T14:45:13.026278Z",
"structure_string": "Hf2 S1 N2\n1.0\n1.795005 -3.109040 0.000000\n1.795005 3.109040 0.000000\n0.000000 0.000000 6.424894\nHf S N\n2 1 2\ndirect\n0.666667 0.333333 0.703540 Hf\n0.333333 0.666667 0.296460 Hf\n0.000000 0.000000 0.000000 S\n0.666667 0.333333 0.365307 N\n0.333333 0.666667 0.634693 N\n",
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},
{
"id": "mp-17048",
"created_at": "2022-09-04T14:45:22.025113Z",
"structure_string": "Rb8 W4 S16\n1.0\n7.182865 0.000000 0.000000\n0.000000 9.953502 0.000000\n0.000000 0.000000 12.797353\nRb W S\n8 4 16\ndirect\n0.250000 0.654674 0.394343 Rb\n0.750000 0.345326 0.605657 Rb\n0.250000 0.154674 0.105657 Rb\n0.750000 0.845326 0.894343 Rb\n0.250000 0.460480 0.832031 Rb\n0.750000 0.539520 0.167969 Rb\n0.250000 0.960480 0.667969 Rb\n0.750000 0.039520 0.332031 Rb\n0.250000 0.245878 0.428949 W\n0.750000 0.754122 0.571051 W\n0.250000 0.745878 0.071051 W\n0.750000 0.254122 0.928949 W\n0.250000 0.027591 0.395157 S\n0.750000 0.972409 0.604843 S\n0.250000 0.527591 0.104843 S\n0.750000 0.472409 0.895157 S\n0.501023 0.660326 0.640316 S\n0.001023 0.339674 0.359684 S\n0.998977 0.160326 0.859684 S\n0.498977 0.839674 0.140316 S\n0.498977 0.339674 0.359684 S\n0.998977 0.660326 0.640316 S\n0.001023 0.839674 0.140316 S\n0.501023 0.160326 0.859684 S\n0.750000 0.216923 0.099279 S\n0.250000 0.783077 0.900721 S\n0.750000 0.716923 0.400721 S\n0.250000 0.283077 0.599279 S\n",
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},
{
"id": "mp-753795",
"created_at": "2022-09-04T14:45:18.115549Z",
"structure_string": "Li12 Bi4 O12\n1.0\n7.164999 0.000000 0.000000\n0.000000 7.164999 0.000000\n0.000000 0.000000 7.164999\nLi Bi O\n12 4 12\ndirect\n0.976675 0.976675 0.976675 Li\n0.246446 0.253554 0.746446 Li\n0.244526 0.744526 0.755474 Li\n0.255474 0.255474 0.255474 Li\n0.253554 0.746446 0.246446 Li\n0.523325 0.023325 0.476675 Li\n0.476675 0.523325 0.023325 Li\n0.746446 0.246446 0.253554 Li\n0.744526 0.755474 0.244526 Li\n0.755474 0.244526 0.744526 Li\n0.753554 0.753554 0.753554 Li\n0.023325 0.476675 0.523325 Li\n0.034343 0.965657 0.465657 Bi\n0.465657 0.034343 0.965657 Bi\n0.534343 0.534343 0.534343 Bi\n0.965657 0.465657 0.034343 Bi\n0.997345 0.252206 0.381909 O\n0.118091 0.002655 0.752206 O\n0.252206 0.381909 0.997345 O\n0.247794 0.618091 0.497345 O\n0.381909 0.997345 0.252206 O\n0.502655 0.747794 0.881909 O\n0.497345 0.247794 0.618091 O\n0.618091 0.497345 0.247794 O\n0.752206 0.118091 0.002655 O\n0.747794 0.881909 0.502655 O\n0.881909 0.502655 0.747794 O\n0.002655 0.752206 0.118091 O\n",
"nsites": 28,
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],
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"volume": 367.8310631133465,
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"formula_full": "Li12 Bi4 O12",
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{
"id": "mp-600174",
"created_at": "2022-09-04T14:45:12.951716Z",
"structure_string": "H16 Pb4 C8 O24\n1.0\n7.849585 0.000000 0.000000\n0.000000 8.176567 0.000000\n0.000000 0.000000 9.337797\nH Pb C O\n16 4 8 24\ndirect\n0.348957 0.051733 0.178765 H\n0.151147 0.312653 0.413557 H\n0.151043 0.051733 0.178765 H\n0.348957 0.448267 0.678765 H\n0.848853 0.687347 0.586443 H\n0.848957 0.551733 0.321235 H\n0.651043 0.551733 0.321235 H\n0.848957 0.948267 0.821235 H\n0.651147 0.812653 0.086443 H\n0.151043 0.448267 0.678765 H\n0.151147 0.187347 0.913557 H\n0.348853 0.187347 0.913557 H\n0.651043 0.948267 0.821235 H\n0.348853 0.312653 0.413557 H\n0.848853 0.812653 0.086443 H\n0.651147 0.687347 0.586443 H\n0.250000 0.477861 0.104899 Pb\n0.750000 0.522139 0.895101 Pb\n0.750000 0.977861 0.395101 Pb\n0.250000 0.022139 0.604899 Pb\n0.650858 0.260196 0.643093 C\n0.849142 0.239804 0.143093 C\n0.650858 0.239804 0.143093 C\n0.150858 0.760196 0.856907 C\n0.349142 0.739804 0.356907 C\n0.349142 0.760196 0.856907 C\n0.150858 0.739804 0.356907 C\n0.849142 0.260196 0.643093 C\n0.575654 0.159172 0.561536 O\n0.750000 0.767756 0.136609 O\n0.250000 0.267756 0.363391 O\n0.575895 0.362861 0.723057 O\n0.750000 0.732244 0.636609 O\n0.075895 0.637139 0.276943 O\n0.750000 0.500671 0.367679 O\n0.250000 0.499329 0.632321 O\n0.575654 0.340828 0.061536 O\n0.750000 0.999329 0.867679 O\n0.575895 0.137139 0.223057 O\n0.075654 0.840828 0.438464 O\n0.424105 0.862861 0.776943 O\n0.075895 0.862861 0.776943 O\n0.924346 0.340828 0.061536 O\n0.250000 0.232244 0.863391 O\n0.424105 0.637139 0.276943 O\n0.075654 0.659172 0.938464 O\n0.424346 0.659172 0.938464 O\n0.250000 0.000671 0.132321 O\n0.924105 0.362861 0.723057 O\n0.924105 0.137139 0.223057 O\n0.424346 0.840828 0.438464 O\n0.924346 0.159172 0.561536 O\n",
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{
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"structure_string": "Na8 Ni4 C4 S4 O28\n1.0\n0.161389 0.000048 5.254145\n9.004788 6.682338 0.044898\n-9.004663 6.682174 -0.044799\nNa Ni C S O\n8 4 4 4 28\ndirect\n0.230735 0.605801 0.391804 Na\n0.230766 0.105781 0.891783 Na\n0.230719 0.358226 0.144217 Na\n0.230787 0.858181 0.644181 Na\n0.769283 0.641767 0.855764 Na\n0.769194 0.141807 0.355794 Na\n0.769279 0.394193 0.608181 Na\n0.769195 0.894209 0.108208 Na\n0.777654 0.052274 0.697900 Ni\n0.222407 0.947824 0.302227 Ni\n0.777333 0.552256 0.197731 Ni\n0.222749 0.447775 0.802305 Ni\n0.722334 0.417271 0.332741 C\n0.722379 0.917184 0.832761 C\n0.277665 0.582726 0.667243 C\n0.277584 0.082813 0.167209 C\n0.723891 0.336763 0.913235 S\n0.723795 0.836800 0.413234 S\n0.276110 0.663257 0.086773 S\n0.276223 0.163201 0.586779 S\n0.310036 0.151912 0.098073 O\n0.310039 0.651842 0.598138 O\n0.689954 0.848067 0.901932 O\n0.689933 0.348136 0.401856 O\n0.947182 0.446738 0.303266 O\n0.947262 0.946633 0.803373 O\n0.052826 0.553242 0.696742 O\n0.052715 0.053367 0.196626 O\n0.531293 0.467014 0.282935 O\n0.531361 0.966977 0.783001 O\n0.468726 0.532983 0.717052 O\n0.468647 0.033028 0.216998 O\n0.157462 0.588962 0.161087 O\n0.157597 0.088954 0.661101 O\n0.842567 0.411026 0.838900 O\n0.842382 0.911043 0.338883 O\n0.438461 0.347936 0.902123 O\n0.438294 0.848046 0.402080 O\n0.561555 0.652052 0.097875 O\n0.561663 0.151940 0.597899 O\n0.805202 0.203766 0.866218 O\n0.805050 0.703786 0.366136 O\n0.805379 0.383792 0.046214 O\n0.805387 0.883807 0.546209 O\n0.194640 0.616187 0.953776 O\n0.194587 0.116202 0.453794 O\n0.194783 0.796248 0.133791 O\n0.194933 0.296205 0.633852 O\n",
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{
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"structure_string": "Ba1 Na1 Y1 W1 O6\n1.0\n0.000000 -4.206783 -4.206783\n4.206783 -0.000000 -4.206783\n4.206783 -4.206783 0.000000\nBa Na Y W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 W\n0.767546 0.232454 0.232454 O\n0.232454 0.767546 0.767546 O\n0.767546 0.232454 0.767546 O\n0.232454 0.767546 0.232454 O\n0.767546 0.767546 0.232454 O\n0.232454 0.232454 0.767546 O\n",
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{
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{
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