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{
"id": "mp-12684",
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{
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{
"id": "mp-1078111",
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"formula_full": "Cu1 Mo1 S4 N1",
"formula_reduced": "CuMoS4N",
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},
{
"id": "mp-571330",
"created_at": "2022-09-04T14:40:58.142785Z",
"structure_string": "Nd3 Al1 C1\n1.0\n5.100122 0.000000 0.000000\n0.000000 5.100122 0.000000\n0.000000 0.000000 5.100122\nNd Al C\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 C\n",
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"formula_full": "Nd3 Al1 C1",
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"spacegroup": 221
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{
"id": "mp-10516",
"created_at": "2022-09-04T14:44:10.310975Z",
"structure_string": "Dy6 Fe1 Te2\n1.0\n4.164307 -7.212791 0.000000\n4.164307 7.212791 0.000000\n0.000000 0.000000 3.975006\nDy Fe Te\n6 1 2\ndirect\n0.602899 0.000000 0.500000 Dy\n0.397101 0.397101 0.500000 Dy\n0.000000 0.602899 0.500000 Dy\n0.000000 0.235464 0.000000 Dy\n0.764536 0.764536 0.000000 Dy\n0.235464 0.000000 0.000000 Dy\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.000000 Te\n0.666667 0.333333 0.000000 Te\n",
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"volume": 238.78875503946676,
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"formula_full": "Dy6 Fe1 Te2",
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{
"id": "mp-1099295",
"created_at": "2022-09-04T14:41:05.220660Z",
"structure_string": "K1 Mg6 Sn1\n1.0\n3.327433 -6.134160 0.000000\n3.327433 6.134160 0.000000\n0.000000 0.000000 5.199480\nK Mg Sn\n1 6 1\ndirect\n0.329449 0.670551 0.500000 K\n0.327786 0.165222 0.500000 Mg\n0.834778 0.672214 0.500000 Mg\n0.155524 0.313807 0.000000 Mg\n0.686193 0.844476 0.000000 Mg\n0.668118 0.331882 0.000000 Mg\n0.154528 0.845472 0.000000 Mg\n0.843629 0.156371 0.500000 Sn\n",
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"density": 2.3754796915872736,
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"volume": 212.25323923064428,
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"formula_full": "K1 Mg6 Sn1",
"formula_reduced": "KMg6Sn",
"formula_anonymous": "ABC6",
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},
{
"id": "mp-1187971",
"created_at": "2022-09-04T14:41:30.348449Z",
"structure_string": "Yb6 Si2\n1.0\n3.399139 -5.887481 0.000000\n3.399139 5.887481 0.000000\n0.000000 0.000000 5.303036\nYb Si\n6 2\ndirect\n0.176282 0.352565 0.250000 Yb\n0.647435 0.823718 0.250000 Yb\n0.176282 0.823718 0.250000 Yb\n0.823718 0.647435 0.750000 Yb\n0.352565 0.176282 0.750000 Yb\n0.823718 0.176282 0.750000 Yb\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
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"density": 8.562025815416762,
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"volume": 212.25259764395062,
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"formula_full": "Yb6 Si2",
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{
"id": "mp-631257",
"created_at": "2022-09-04T14:39:38.780503Z",
"structure_string": "As1 Se1 Br1\n1.0\n0.000000 3.414153 3.414153\n3.414153 0.000000 3.414153\n3.414153 3.414153 0.000000\nAs Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.250000 0.250000 0.250000 Se\n0.500000 0.500000 0.500000 Br\n",
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"volume": 79.59374402104513,
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"formula_full": "As1 Se1 Br1",
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"spacegroup": 216
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{
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"structure_string": "Rb2 Pt3 S4\n1.0\n0.000000 5.507334 6.662753\n3.253673 0.000000 6.662753\n3.253673 5.507334 0.000000\nRb Pt S\n2 3 4\ndirect\n0.348613 0.348613 0.651387 Rb\n0.651387 0.651387 0.348613 Rb\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.057223 0.720965 0.279035 S\n0.942777 0.279035 0.720965 S\n0.279035 0.942777 0.057223 S\n0.720965 0.057223 0.942777 S\n",
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"density": 6.150666465191128,
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"formula_full": "Rb2 Pt3 S4",
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{
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"structure_string": "Rb2 Pt3 S4\n1.0\n0.000000 5.507334 6.662753\n3.253673 0.000000 6.662753\n3.253673 5.507334 0.000000\nRb Pt S\n2 3 4\ndirect\n0.353717 0.348729 0.642401 Rb\n0.657565 0.643458 0.341657 Rb\n0.503221 0.504252 0.995966 Pt\n0.991022 0.007459 0.502120 Pt\n0.991323 0.003167 0.004490 Pt\n0.722893 0.053803 0.934939 S\n0.271935 0.943052 0.062060 S\n0.951473 0.272220 0.712948 S\n0.052231 0.728123 0.286146 S\n",
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{
"id": "mp-1191103",
"created_at": "2022-09-04T14:48:31.010668Z",
"structure_string": "Te2 C4 Se4 Br4 N8\n1.0\n7.278187 0.000000 0.000000\n-0.146965 7.352285 0.000000\n-0.280849 -2.942293 10.907656\nTe C Se Br N\n2 4 4 4 8\ndirect\n0.171278 0.082200 0.108816 Te\n0.828722 0.917800 0.891184 Te\n0.686677 0.814653 0.182339 C\n0.313323 0.185347 0.817661 C\n0.317149 0.550276 0.330247 C\n0.682851 0.449724 0.669753 C\n0.062562 0.063488 0.321447 Se\n0.937438 0.936512 0.678553 Se\n0.983226 0.385021 0.256233 Se\n0.016774 0.614979 0.743767 Se\n0.309343 0.751633 0.988479 Br\n0.690657 0.248367 0.011521 Br\n0.273023 0.203503 0.483110 Br\n0.726977 0.796497 0.516890 Br\n0.817702 0.740581 0.122487 N\n0.182298 0.259419 0.877513 N\n0.558482 0.895380 0.243024 N\n0.441518 0.104620 0.756976 N\n0.480107 0.554579 0.326246 N\n0.519893 0.445421 0.673754 N\n0.140013 0.557739 0.346103 N\n0.859987 0.442261 0.653897 N\n",
"nsites": 22,
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"formula_full": "Te2 C4 Se4 Br4 N8",
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"spacegroup": 2
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{
"id": "mp-865007",
"created_at": "2022-09-04T14:42:56.824943Z",
"structure_string": "Dy2 Mg1 In1\n1.0\n0.000000 3.757723 3.757723\n3.757723 0.000000 3.757723\n3.757723 3.757723 0.000000\nDy Mg In\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 In\n",
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}
]
}