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{
"id": "mp-1234250",
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{
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"structure_string": "Li4 Ge4 O10\n1.0\n3.023699 -7.738135 0.000000\n3.023699 7.738135 0.000000\n0.000000 0.000000 5.043633\nLi Ge O\n4 4 10\ndirect\n0.094984 0.207185 0.605529 Li\n0.207185 0.094984 0.105529 Li\n0.792815 0.905016 0.105529 Li\n0.905016 0.792815 0.605529 Li\n0.193921 0.486254 0.098684 Ge\n0.806079 0.513746 0.098684 Ge\n0.513746 0.806079 0.598684 Ge\n0.486254 0.193921 0.598684 Ge\n0.771656 0.905819 0.493743 O\n0.905819 0.771656 0.993743 O\n0.500000 0.000000 0.505312 O\n0.228344 0.094181 0.493743 O\n0.000000 0.500000 0.005312 O\n0.523117 0.253649 0.949422 O\n0.253649 0.523117 0.449422 O\n0.746351 0.476883 0.449422 O\n0.476883 0.746351 0.949422 O\n0.094181 0.228344 0.993743 O\n",
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"formula_full": "Li4 Ge4 O10",
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},
{
"id": "mp-555381",
"created_at": "2022-09-04T14:42:17.829416Z",
"structure_string": "Zn24 S24\n1.0\n1.926530 -3.336849 0.000000\n1.926530 3.336849 0.000000\n0.000000 0.000000 75.564131\nZn S\n24 24\ndirect\n0.000000 0.000000 0.583333 Zn\n0.666667 0.333333 0.666669 Zn\n0.000000 0.000000 0.333333 Zn\n0.666667 0.333333 0.291672 Zn\n0.333333 0.666667 0.375002 Zn\n0.000000 0.000000 0.083333 Zn\n0.333333 0.666667 0.833331 Zn\n0.000000 0.000000 0.208334 Zn\n0.333333 0.666667 0.708344 Zn\n0.666667 0.333333 0.541672 Zn\n0.666667 0.333333 0.041682 Zn\n0.000000 0.000000 0.458333 Zn\n0.333333 0.666667 0.125002 Zn\n0.666667 0.333333 0.166672 Zn\n0.666667 0.333333 0.416672 Zn\n0.333333 0.666667 0.500002 Zn\n0.666667 0.333333 0.791668 Zn\n0.666667 0.333333 0.958339 Zn\n0.333333 0.666667 0.250002 Zn\n0.000000 0.000000 0.916669 Zn\n0.000000 0.000000 0.750002 Zn\n0.333333 0.666667 0.624997 Zn\n0.666667 0.333333 0.875007 Zn\n0.333333 0.666667 0.999998 Zn\n0.666667 0.333333 0.197916 S\n0.333333 0.666667 0.406248 S\n0.333333 0.666667 0.531248 S\n0.666667 0.333333 0.447916 S\n0.000000 0.000000 0.239578 S\n0.666667 0.333333 0.989553 S\n0.333333 0.666667 0.739578 S\n0.333333 0.666667 0.031273 S\n0.333333 0.666667 0.864604 S\n0.666667 0.333333 0.822891 S\n0.000000 0.000000 0.614578 S\n0.000000 0.000000 0.947940 S\n0.333333 0.666667 0.156248 S\n0.000000 0.000000 0.781247 S\n0.666667 0.333333 0.697941 S\n0.000000 0.000000 0.489578 S\n0.333333 0.666667 0.656223 S\n0.333333 0.666667 0.281248 S\n0.000000 0.000000 0.364578 S\n0.666667 0.333333 0.572916 S\n0.666667 0.333333 0.072914 S\n0.000000 0.000000 0.114578 S\n0.666667 0.333333 0.906223 S\n0.666667 0.333333 0.322916 S\n",
"nsites": 48,
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"elements": [
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"formula_full": "Zn24 S24",
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"spacegroup": 156
},
{
"id": "mp-1869741",
"created_at": "2022-09-04T14:42:17.834910Z",
"structure_string": "Li2 Ni4 S8\n1.0\n6.101850 0.194912 -3.013686\n-1.688717 5.661519 -3.383535\n-0.103494 -0.558866 6.818476\nLi Ni S\n2 4 8\ndirect\n0.000000 0.500001 0.000001 Li\n0.000001 0.000000 0.500000 Li\n0.384613 0.634613 0.750000 Ni\n0.615387 0.365388 0.250000 Ni\n0.500001 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.753495 0.769560 0.519210 S\n0.750351 0.234287 0.980792 S\n0.240104 0.233737 0.002847 S\n0.246505 0.230440 0.480791 S\n0.269110 0.762743 0.502846 S\n0.249649 0.765714 0.019210 S\n0.730889 0.237256 0.497153 S\n0.759896 0.766264 0.997153 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.7835473641512216,
"density_atomic": 0.0631445317819933,
"volume": 221.71357685151656,
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"formula_full": "Li2 Ni4 S8",
"formula_reduced": "Li(NiS2)2",
"formula_anonymous": "AB2C4",
"energy": -68.4605029,
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{
"id": "mp-1038",
"created_at": "2022-09-04T14:42:17.839691Z",
"structure_string": "Mg2 Cu4\n1.0\n0.000000 3.509494 3.509494\n3.509494 0.000000 3.509494\n3.509494 3.509494 0.000000\nMg Cu\n2 4\ndirect\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.625000 0.125000 0.125000 Cu\n0.125000 0.125000 0.125000 Cu\n0.125000 0.125000 0.625000 Cu\n0.125000 0.625000 0.125000 Cu\n",
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},
{
"id": "mp-1078873",
"created_at": "2022-09-04T14:42:17.844307Z",
"structure_string": "Mn6 Ge2\n1.0\n2.588893 -4.484094 0.000000\n2.588893 4.484094 0.000000\n0.000000 0.000000 4.178426\nMn Ge\n6 2\ndirect\n0.838666 0.161334 0.250000 Mn\n0.838666 0.677331 0.250000 Mn\n0.322669 0.161334 0.250000 Mn\n0.161334 0.838666 0.750000 Mn\n0.161334 0.322669 0.750000 Mn\n0.677331 0.838666 0.750000 Mn\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n",
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{
"id": "mp-1223237",
"created_at": "2022-09-04T14:42:17.851247Z",
"structure_string": "La2 Mn1 Sb4\n1.0\n4.477774 0.000000 0.000000\n0.000000 4.477774 0.000000\n0.000000 0.000000 10.234232\nLa Mn Sb\n2 1 4\ndirect\n0.500000 0.000000 0.749161 La\n0.000000 0.500000 0.250839 La\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.141221 Sb\n0.000000 0.500000 0.858779 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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{
"id": "mp-686232",
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"structure_string": "Na7 Al11 Si13 Ag4 O48\n1.0\n12.205966 0.000000 0.000000\n0.375397 12.374966 0.000000\n0.030988 0.104434 12.458818\nNa Al Si Ag O\n7 11 13 4 48\ndirect\n0.477698 0.708425 0.000945 Na\n0.866711 0.594247 0.616203 Na\n0.878032 0.582585 0.373579 Na\n0.723456 0.255609 0.040767 Na\n0.310087 0.498559 0.997161 Na\n0.090762 0.349024 0.769783 Na\n0.069716 0.346376 0.208528 Na\n0.707477 0.773738 0.000593 Al\n0.873340 0.762116 0.181186 Al\n0.076418 0.750699 0.995462 Al\n0.868807 0.500026 0.820703 Al\n0.668268 0.502584 0.999901 Al\n0.855002 0.491740 0.170963 Al\n0.065236 0.507456 0.993872 Al\n0.874301 0.308784 0.626599 Al\n0.878097 0.302210 0.370537 Al\n0.496099 0.309320 0.998335 Al\n0.224307 0.279309 0.002923 Al\n0.504747 0.132304 0.812568 Si\n0.689008 0.119387 0.626892 Si\n0.690460 0.116659 0.374273 Si\n0.244938 0.122508 0.813117 Si\n0.509625 0.126829 0.183976 Si\n0.061173 0.116597 0.631992 Si\n0.247003 0.115309 0.190834 Si\n0.065304 0.112118 0.375345 Si\n0.881318 0.933472 0.378186 Si\n0.257518 0.942150 0.000644 Si\n0.880079 0.940240 0.632665 Si\n0.510846 0.953605 0.997859 Si\n0.881318 0.761804 0.818204 Si\n0.064065 0.923627 0.185484 Ag\n0.652602 0.353633 0.248255 Ag\n0.673641 0.338869 0.786262 Ag\n0.949297 0.321263 0.976887 Ag\n0.577868 0.118645 0.702326 O\n0.649450 0.117846 0.500151 O\n0.373872 0.144783 0.780988 O\n0.581746 0.113650 0.295419 O\n0.175084 0.105477 0.702568 O\n0.377932 0.133472 0.215033 O\n0.773694 0.013024 0.353751 O\n0.241371 0.018702 0.894288 O\n0.767019 0.012656 0.653097 O\n0.524419 0.027607 0.889780 O\n0.232046 0.006327 0.116675 O\n0.993007 0.004097 0.348147 O\n0.533993 0.023252 0.107023 O\n0.985646 0.013400 0.660444 O\n0.885597 0.905552 0.506127 O\n0.386692 0.905291 0.006342 O\n0.885075 0.827186 0.698797 O\n0.582260 0.846894 0.987207 O\n0.187120 0.837837 0.995778 O\n0.887164 0.822150 0.313817 O\n0.778344 0.808128 0.883660 O\n0.765823 0.822285 0.114692 O\n0.997958 0.768109 0.878413 O\n0.001086 0.778412 0.114186 O\n0.653792 0.641197 0.000488 O\n0.852639 0.625162 0.210035 O\n0.858354 0.636464 0.781363 O\n0.141693 0.621853 0.000721 O\n0.761452 0.448658 0.899979 O\n0.735112 0.438376 0.113258 O\n0.000472 0.473318 0.871857 O\n0.969867 0.462660 0.091308 O\n0.868624 0.428068 0.699999 O\n0.539618 0.441375 0.991670 O\n0.159649 0.402213 0.010798 O\n0.882479 0.415579 0.288268 O\n0.880482 0.354971 0.496978 O\n0.359099 0.306094 0.002835 O\n0.755939 0.226733 0.345499 O\n0.756061 0.228468 0.652847 O\n0.546900 0.236737 0.881110 O\n0.186701 0.223780 0.876849 O\n0.549885 0.235657 0.118059 O\n0.187941 0.214753 0.126036 O\n0.996416 0.229857 0.661594 O\n0.997456 0.220066 0.337088 O\n0.179963 0.097252 0.304481 O\n0.095482 0.113641 0.503493 O\n",
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{
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"structure_string": "Ce5 Mg1\n1.0\n1.705100 -8.913305 0.000000\n1.705100 8.913305 0.000000\n0.000000 0.000000 5.932969\nCe Mg\n5 1\ndirect\n0.991743 0.008257 0.000000 Ce\n0.329687 0.670313 0.000000 Ce\n0.668692 0.331308 0.000000 Ce\n0.456201 0.543799 0.500000 Ce\n0.108186 0.891814 0.500000 Ce\n0.778824 0.221176 0.500000 Mg\n",
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{
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