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{
"id": "mp-726865",
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"structure_string": "K4 I4\n1.0\n5.022428 0.000000 0.000000\n0.000000 8.549856 0.000000\n0.000000 0.000000 8.692863\nK I\n4 4\ndirect\n0.250000 0.749309 0.503398 K\n0.250000 0.750691 0.003398 K\n0.750000 0.250691 0.496602 K\n0.750000 0.249309 0.996602 K\n0.250000 0.406754 0.748273 I\n0.250000 0.093246 0.248273 I\n0.750000 0.593246 0.251727 I\n0.750000 0.906754 0.751727 I\n",
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{
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"elements": [
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"density": 3.346384208538149,
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"volume": 2418.4220174836987,
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"formula_full": "Zn50 S50",
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"energy": -330.10597963,
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"updated_at": "2021-11-28T01:37:07.125000Z",
"spacegroup": 1
},
{
"id": "mp-1211990",
"created_at": "2022-09-04T14:45:14.644684Z",
"structure_string": "K28 Na4 Ge32\n1.0\n12.951800 0.000000 0.000000\n0.000000 12.951800 0.000000\n0.000000 0.000000 12.951800\nK Na Ge\n28 4 32\ndirect\n0.185350 0.457448 0.273612 K\n0.814650 0.542552 0.726388 K\n0.314650 0.542552 0.773612 K\n0.814650 0.957448 0.226388 K\n0.273612 0.185350 0.457448 K\n0.685350 0.457448 0.226388 K\n0.185350 0.042552 0.773612 K\n0.726388 0.814650 0.542552 K\n0.685350 0.042552 0.726388 K\n0.773612 0.314650 0.542552 K\n0.314650 0.957448 0.273612 K\n0.226388 0.685350 0.457448 K\n0.226388 0.814650 0.957448 K\n0.773612 0.185350 0.042552 K\n0.726388 0.685350 0.042552 K\n0.273612 0.314650 0.957448 K\n0.457448 0.273612 0.185350 K\n0.542552 0.726388 0.814650 K\n0.957448 0.226388 0.814650 K\n0.042552 0.773612 0.185350 K\n0.042552 0.726388 0.685350 K\n0.957448 0.273612 0.314650 K\n0.542552 0.773612 0.314650 K\n0.457448 0.226388 0.685350 K\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.055175 0.208785 0.073564 Ge\n0.944825 0.791215 0.926436 Ge\n0.444825 0.791215 0.573564 Ge\n0.944825 0.708785 0.426436 Ge\n0.073564 0.055175 0.208785 Ge\n0.555175 0.208785 0.426436 Ge\n0.055175 0.291215 0.573564 Ge\n0.926436 0.944825 0.791215 Ge\n0.555175 0.291215 0.926436 Ge\n0.573564 0.444825 0.791215 Ge\n0.444825 0.708785 0.073564 Ge\n0.426436 0.555175 0.208785 Ge\n0.426436 0.944825 0.708785 Ge\n0.573564 0.055175 0.291215 Ge\n0.926436 0.555175 0.291215 Ge\n0.073564 0.444825 0.708785 Ge\n0.208785 0.073564 0.055175 Ge\n0.791215 0.926436 0.944825 Ge\n0.708785 0.426436 0.944825 Ge\n0.291215 0.573564 0.055175 Ge\n0.291215 0.926436 0.555175 Ge\n0.708785 0.073564 0.444825 Ge\n0.791215 0.573564 0.444825 Ge\n0.208785 0.426436 0.555175 Ge\n0.204341 0.204341 0.204341 Ge\n0.795659 0.795659 0.795659 Ge\n0.295659 0.795659 0.704341 Ge\n0.795659 0.704341 0.295659 Ge\n0.704341 0.204341 0.295659 Ge\n0.204341 0.295659 0.704341 Ge\n0.704341 0.295659 0.795659 Ge\n0.295659 0.704341 0.204341 Ge\n",
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"elements": [
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"formula_full": "K28 Na4 Ge32",
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"updated_at": "2021-11-28T01:36:59.300000Z",
"spacegroup": 205
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{
"id": "mp-1229237",
"created_at": "2022-09-04T14:45:16.768492Z",
"structure_string": "Ag1 Sb1 Te16 Pb14\n1.0\n-4.619703 4.619703 12.899322\n4.619703 -4.619703 12.899322\n4.619703 4.619703 -12.899322\nAg Sb Te Pb\n1 1 16 14\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Sb\n0.125031 0.625031 0.500000 Te\n0.374969 0.874969 0.500000 Te\n0.625031 0.125031 0.500000 Te\n0.874969 0.374969 0.500000 Te\n0.500000 0.500000 0.500000 Te\n0.757377 0.757377 0.514754 Te\n0.000000 0.000000 0.500000 Te\n0.242623 0.242623 0.485246 Te\n0.615628 0.615628 0.000000 Te\n0.879529 0.879529 0.000000 Te\n0.120471 0.120471 0.000000 Te\n0.384372 0.384372 0.000000 Te\n0.500000 0.000000 0.000000 Te\n0.757377 0.242623 0.000000 Te\n0.000000 0.500000 0.000000 Te\n0.242623 0.757377 0.000000 Te\n0.250000 0.750000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.750000 0.250000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.374659 0.374659 0.501412 Pb\n0.625341 0.625341 0.498588 Pb\n0.873247 0.873247 0.498588 Pb\n0.126753 0.126753 0.501412 Pb\n0.374659 0.873247 0.000000 Pb\n0.625341 0.126753 0.000000 Pb\n0.873247 0.374659 0.000000 Pb\n0.126753 0.625341 0.000000 Pb\n0.747579 0.747579 0.000000 Pb\n0.252421 0.252421 0.000000 Pb\n",
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"formula_full": "Ag1 Sb1 Te16 Pb14",
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"spacegroup": 139
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{
"id": "mp-1103616",
"created_at": "2022-09-04T14:45:13.284439Z",
"structure_string": "Cu1 C2 S2 N6\n1.0\n6.720286 0.000000 -0.222859\n3.251065 3.892548 4.072094\n3.251065 -3.892548 4.072094\nCu C S N\n1 2 2 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.076567 0.262859 0.262859 C\n0.923433 0.737141 0.737141 C\n0.827572 0.266124 0.266124 S\n0.172428 0.733876 0.733876 S\n0.242638 0.786569 0.127279 N\n0.757362 0.872721 0.213431 N\n0.757362 0.213431 0.872721 N\n0.242638 0.127279 0.786569 N\n0.249368 0.266033 0.266033 N\n0.750632 0.733967 0.733967 N\n",
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"density_atomic": 0.05030074489653907,
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"formula_full": "Cu1 C2 S2 N6",
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{
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"created_at": "2022-09-04T14:45:13.304600Z",
"structure_string": "Dy3 Al9 Cl36\n1.0\n5.408237 -9.367341 0.000000\n5.408237 9.367341 0.000000\n0.000000 0.000000 16.035299\nDy Al Cl\n3 9 36\ndirect\n0.990205 0.495103 0.000000 Dy\n0.504897 0.009795 0.666667 Dy\n0.504897 0.495103 0.333333 Dy\n0.731279 0.268721 0.833333 Al\n0.128809 0.763764 0.603513 Al\n0.236236 0.365045 0.936846 Al\n0.634955 0.871191 0.270179 Al\n0.731279 0.462558 0.166667 Al\n0.537442 0.268721 0.500000 Al\n0.128809 0.365045 0.396487 Al\n0.634955 0.763764 0.729821 Al\n0.236236 0.871191 0.063154 Al\n0.008148 0.841928 0.544802 Cl\n0.833780 0.991852 0.211469 Cl\n0.158072 0.166220 0.878135 Cl\n0.790581 0.590064 0.279374 Cl\n0.409936 0.200517 0.612707 Cl\n0.799483 0.209419 0.946040 Cl\n0.409936 0.209419 0.387293 Cl\n0.799483 0.590064 0.053960 Cl\n0.790581 0.200517 0.720626 Cl\n0.226573 0.345656 0.278270 Cl\n0.654344 0.880917 0.611603 Cl\n0.119083 0.773427 0.944937 Cl\n0.654344 0.773427 0.388397 Cl\n0.119083 0.345656 0.055063 Cl\n0.226573 0.880917 0.721730 Cl\n0.504482 0.661872 0.205269 Cl\n0.338128 0.842611 0.538602 Cl\n0.157389 0.495518 0.871935 Cl\n0.338128 0.495518 0.461398 Cl\n0.157389 0.661872 0.128065 Cl\n0.504482 0.842611 0.794731 Cl\n0.662077 0.496729 0.481860 Cl\n0.503271 0.165348 0.815194 Cl\n0.834652 0.337923 0.148527 Cl\n0.503271 0.337923 0.184806 Cl\n0.834652 0.496729 0.851473 Cl\n0.662077 0.165348 0.518140 Cl\n0.030933 0.488899 0.376285 Cl\n0.511101 0.542034 0.709618 Cl\n0.457966 0.969067 0.042952 Cl\n0.511101 0.969067 0.290382 Cl\n0.457966 0.488899 0.957048 Cl\n0.030933 0.542034 0.623715 Cl\n0.008148 0.166220 0.455198 Cl\n0.833780 0.841928 0.788531 Cl\n0.158072 0.991852 0.121865 Cl\n",
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"formula_full": "Dy3 Al9 Cl36",
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{
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"structure_string": "Mg2 C2 N4\n1.0\n-2.245582 2.245582 3.088879\n2.245582 -2.245582 3.088879\n2.245582 2.245582 -3.088879\nMg C N\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 C\n0.250000 0.750000 0.500000 C\n0.522140 0.625000 0.397140 N\n0.875000 0.477860 0.102860 N\n0.227860 0.125000 0.602860 N\n0.375000 0.772140 0.897140 N\n",
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{
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{
"id": "mp-1223871",
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{
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{
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]
}