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{
"id": "mp-1210224",
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{
"id": "mp-21260",
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"structure_string": "Fe3 Sn3\n1.0\n2.652397 -4.594086 0.000000\n2.652397 4.594086 0.000000\n0.000000 0.000000 4.464087\nFe Sn\n3 3\ndirect\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.500000 Sn\n0.666667 0.333333 0.500000 Sn\n",
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},
{
"id": "mp-1216221",
"created_at": "2022-09-04T14:42:58.981209Z",
"structure_string": "Y6 Ag1 Ge2 S14\n1.0\n4.939445 -8.555370 0.000000\n4.939445 8.555370 0.000000\n0.000000 0.000000 5.802340\nY Ag Ge S\n6 1 2 14\ndirect\n0.024080 0.469225 0.255153 Y\n0.530775 0.554855 0.255153 Y\n0.445145 0.975920 0.255153 Y\n0.309625 0.198875 0.755042 Y\n0.801125 0.110750 0.755042 Y\n0.889250 0.690375 0.755042 Y\n0.666667 0.333333 0.537345 Ag\n0.000000 0.000000 0.179127 Ge\n0.333333 0.666667 0.673291 Ge\n0.000000 0.000000 0.558730 S\n0.333333 0.666667 0.052595 S\n0.928634 0.433641 0.791851 S\n0.566359 0.494993 0.791851 S\n0.505007 0.071366 0.791851 S\n0.404311 0.230230 0.296782 S\n0.769770 0.174081 0.296782 S\n0.825919 0.595689 0.296782 S\n0.187150 0.756383 0.510727 S\n0.243617 0.430767 0.510727 S\n0.569233 0.812850 0.510727 S\n0.147557 0.911487 0.015756 S\n0.088513 0.236070 0.015756 S\n0.763930 0.852443 0.015756 S\n",
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{
"id": "mp-1100868",
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"structure_string": "Y1 Cu1 Te2\n1.0\n-2.178988 -3.774329 -0.000086\n-2.179078 3.774381 0.000010\n-0.000122 -0.000089 -6.900569\nY Cu Te\n1 1 2\ndirect\n0.000017 0.000012 0.990561 Y\n0.333341 0.666661 0.365326 Cu\n0.333387 0.666698 0.745139 Te\n0.666655 0.333329 0.264974 Te\n",
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{
"id": "mp-1374245",
"created_at": "2022-09-04T14:42:58.994445Z",
"structure_string": "Ca4 Cu2 Ir2 O12\n1.0\n4.680233 4.511278 0.000000\n-4.680233 4.511278 0.000000\n0.000000 0.261620 6.481726\nCa Cu Ir O\n4 2 2 12\ndirect\n0.600687 0.399313 0.000000 Ca\n0.405749 0.594251 0.500000 Ca\n0.740133 0.888953 0.125385 Ca\n0.111047 0.259867 0.874615 Ca\n0.836382 0.163618 0.500000 Cu\n0.186653 0.813347 0.000000 Cu\n0.497519 0.999706 0.737975 Ir\n0.000294 0.502481 0.262025 Ir\n0.881446 0.210538 0.205129 O\n0.789462 0.118554 0.794871 O\n0.106885 0.787540 0.286753 O\n0.212460 0.893115 0.713247 O\n0.027183 0.386098 0.542764 O\n0.613902 0.972817 0.457236 O\n0.971020 0.608402 0.967972 O\n0.391598 0.028980 0.032028 O\n0.708645 0.573194 0.300608 O\n0.426806 0.291355 0.699392 O\n0.277331 0.434869 0.178423 O\n0.565131 0.722669 0.821577 O\n",
"nsites": 20,
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"formula_full": "Ca4 Cu2 Ir2 O12",
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{
"id": "mp-1030750",
"created_at": "2022-09-04T14:42:58.994032Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n1.671574 -2.895250 0.000000\n1.671574 2.895250 0.000000\n0.000000 0.000000 38.028330\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333333 0.666667 0.331686 Te\n0.333333 0.666667 0.231951 Te\n0.333333 0.666667 0.093876 Mo\n0.333333 0.666667 0.469674 Mo\n0.666667 0.333333 0.281824 Mo\n0.666667 0.333333 0.657538 W\n0.333333 0.666667 0.701517 Se\n0.666667 0.333333 0.050119 Se\n0.666667 0.333333 0.137676 Se\n0.333333 0.666667 0.613539 Se\n0.666667 0.333333 0.429758 S\n0.666667 0.333333 0.509589 S\n",
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],
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"density": 4.99322449199775,
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"volume": 368.08568451716746,
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"formula_full": "Te2 Mo3 W1 Se4 S2",
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"spacegroup": 156
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{
"id": "mp-1206561",
"created_at": "2022-09-04T14:42:59.002549Z",
"structure_string": "Rb2 Sc2 Br6\n1.0\n0.000000 0.000000 -6.214784\n-3.947243 -6.836826 0.000000\n-3.947243 6.836826 0.000000\nRb Sc Br\n2 2 6\ndirect\n0.250000 0.666667 0.333333 Rb\n0.750000 0.333333 0.666667 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.750000 0.833410 0.166590 Br\n0.250000 0.166590 0.833410 Br\n0.750000 0.333179 0.166590 Br\n0.250000 0.666821 0.833410 Br\n0.750000 0.833410 0.666821 Br\n0.250000 0.166590 0.333179 Br\n",
"nsites": 10,
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{
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"structure_string": "La4 Mg2\n1.0\n6.160918 -3.108297 0.000000\n6.160918 3.108297 0.000000\n4.592725 0.000000 5.150271\nLa Mg\n4 2\ndirect\n0.000000 0.677984 0.322016 La\n0.677984 0.322016 0.000000 La\n0.500000 0.500000 0.500000 La\n0.322016 0.000000 0.677984 La\n0.832633 0.832633 0.832633 Mg\n0.167367 0.167367 0.167367 Mg\n",
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{
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"structure_string": "Zr6 Ga16 Os7\n1.0\n0.000000 6.230084 6.230084\n6.230084 0.000000 6.230084\n6.230084 6.230084 0.000000\nZr Ga Os\n6 16 7\ndirect\n0.718918 0.718918 0.281082 Zr\n0.281082 0.718918 0.281082 Zr\n0.718918 0.281082 0.281082 Zr\n0.281082 0.281082 0.718918 Zr\n0.718918 0.281082 0.718918 Zr\n0.281082 0.718918 0.718918 Zr\n0.876230 0.876230 0.371310 Ga\n0.876230 0.371310 0.876230 Ga\n0.371310 0.876230 0.876230 Ga\n0.876230 0.876230 0.876230 Ga\n0.123770 0.123770 0.628690 Ga\n0.123770 0.628690 0.123770 Ga\n0.628690 0.123770 0.123770 Ga\n0.123770 0.123770 0.123770 Ga\n0.654411 0.654411 0.036767 Ga\n0.654411 0.036767 0.654411 Ga\n0.036767 0.654411 0.654411 Ga\n0.654411 0.654411 0.654411 Ga\n0.345589 0.345589 0.963233 Ga\n0.345589 0.963233 0.345589 Ga\n0.963233 0.345589 0.345589 Ga\n0.345589 0.345589 0.345589 Ga\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
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{
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