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{
"id": "mp-1104492",
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{
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{
"id": "mp-1104494",
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"structure_string": "Lu2 Fe8 Ge4\n1.0\n7.175928 0.000000 0.000000\n0.000000 7.175928 0.000000\n0.000000 0.000000 3.857871\nLu Fe Ge\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.145444 0.590885 0.500000 Fe\n0.854556 0.409115 0.500000 Fe\n0.354556 0.090885 0.000000 Fe\n0.645444 0.909115 0.000000 Fe\n0.590885 0.145444 0.500000 Fe\n0.409115 0.854556 0.500000 Fe\n0.090885 0.354556 0.000000 Fe\n0.909115 0.645444 0.000000 Fe\n0.715509 0.715509 0.500000 Ge\n0.284491 0.284491 0.500000 Ge\n0.784491 0.215509 0.000000 Ge\n0.215509 0.784491 0.000000 Ge\n",
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{
"id": "mp-1104495",
"created_at": "2022-09-04T14:46:18.401569Z",
"structure_string": "La9 Rh6\n1.0\n6.281859 -4.499304 0.000000\n6.281859 4.499304 0.000000\n3.059288 0.000000 7.095509\nLa Rh\n9 6\ndirect\n0.000000 0.000000 0.000000 La\n0.797895 0.797895 0.797895 La\n0.202105 0.202105 0.202105 La\n0.164297 0.390439 0.667391 La\n0.667391 0.164297 0.390439 La\n0.390439 0.667391 0.164297 La\n0.835703 0.609561 0.332609 La\n0.332609 0.835703 0.609561 La\n0.609561 0.332609 0.835703 La\n0.956095 0.165560 0.590157 Rh\n0.590157 0.956095 0.165560 Rh\n0.165560 0.590157 0.956095 Rh\n0.043905 0.834440 0.409843 Rh\n0.409843 0.043905 0.834440 Rh\n0.834440 0.409843 0.043905 Rh\n",
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{
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"structure_string": "La2 Ga10 Ni1\n1.0\n-2.196673 2.196673 13.151338\n2.196673 -2.196673 13.151338\n2.196673 2.196673 -13.151338\nLa Ga Ni\n2 10 1\ndirect\n0.645350 0.645350 0.000000 La\n0.354650 0.354650 0.000000 La\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.549532 0.049532 0.500000 Ga\n0.049532 0.549532 0.500000 Ga\n0.450468 0.950468 0.500000 Ga\n0.950468 0.450468 0.500000 Ga\n0.895640 0.895640 0.000000 Ga\n0.104360 0.104360 0.000000 Ga\n0.802648 0.802648 0.000000 Ga\n0.197352 0.197352 0.000000 Ga\n0.500000 0.500000 0.000000 Ni\n",
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{
"id": "mp-1104498",
"created_at": "2022-09-04T14:40:36.549137Z",
"structure_string": "Sm1 Mn6 Ge6\n1.0\n-2.604159 -4.510536 0.000000\n-2.603931 4.510404 0.000000\n0.000000 0.000000 -8.154537\nSm Mn Ge\n1 6 6\ndirect\n0.000012 0.000000 0.000000 Sm\n0.499956 0.000000 0.251582 Mn\n0.500028 0.500042 0.251603 Mn\n0.999986 0.499958 0.251603 Mn\n0.499956 0.000000 0.748418 Mn\n0.500028 0.500042 0.748397 Mn\n0.999986 0.499958 0.748397 Mn\n0.333352 0.666729 0.000000 Ge\n0.666624 0.333271 0.000000 Ge\n0.333351 0.666740 0.500000 Ge\n0.666611 0.333260 0.500000 Ge\n0.999955 0.000000 0.346574 Ge\n0.999955 0.000000 0.653426 Ge\n",
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{
"id": "mp-1104500",
"created_at": "2022-09-04T14:41:48.808202Z",
"structure_string": "Sm10 Ir4\n1.0\n3.304641 8.199805 0.000000\n-3.304641 8.199805 0.000000\n0.000000 0.879851 7.223745\nSm Ir\n10 4\ndirect\n0.022393 0.793025 0.419590 Sm\n0.206975 0.977607 0.080410 Sm\n0.977607 0.206975 0.580410 Sm\n0.793025 0.022393 0.919590 Sm\n0.347984 0.214767 0.316339 Sm\n0.785233 0.652016 0.183661 Sm\n0.652016 0.785233 0.683661 Sm\n0.214767 0.347984 0.816339 Sm\n0.567728 0.432272 0.250000 Sm\n0.432272 0.567728 0.750000 Sm\n0.176922 0.600677 0.073125 Ir\n0.399323 0.823078 0.426875 Ir\n0.823078 0.399323 0.926875 Ir\n0.600677 0.176922 0.573125 Ir\n",
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{
"id": "mp-1104501",
"created_at": "2022-09-04T14:43:55.187771Z",
"structure_string": "K3 Yb1 V2 O8\n1.0\n-3.001462 -5.203482 0.000003\n-3.003376 5.204583 -0.000547\n-0.000643 0.000701 -7.793823\nK Yb V O\n3 1 2 8\ndirect\n0.666658 0.333300 0.308667 K\n0.333342 0.666700 0.691333 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Yb\n0.666484 0.333355 0.756173 V\n0.333516 0.666645 0.243827 V\n0.666458 0.333386 0.977263 O\n0.333542 0.666614 0.022737 O\n0.824579 0.649229 0.679507 O\n0.350642 0.175357 0.679408 O\n0.824484 0.175274 0.679539 O\n0.175421 0.350771 0.320493 O\n0.649358 0.824643 0.320592 O\n0.175516 0.824726 0.320461 O\n",
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{
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"created_at": "2022-09-04T14:39:58.674763Z",
"structure_string": "Bi1 Mo6 S8\n1.0\n4.654549 -4.650456 0.000000\n4.654549 4.650456 0.000000\n0.008181 0.000000 6.579628\nBi Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Bi\n0.226695 0.561066 0.416081 Mo\n0.561066 0.416081 0.226695 Mo\n0.416081 0.226695 0.561066 Mo\n0.773305 0.438934 0.583919 Mo\n0.438934 0.583919 0.773305 Mo\n0.583919 0.773305 0.438934 Mo\n0.240856 0.240856 0.240856 S\n0.759144 0.759144 0.759144 S\n0.740838 0.127031 0.375158 S\n0.127031 0.375158 0.740838 S\n0.375158 0.740838 0.127031 S\n0.259162 0.872970 0.624842 S\n0.872970 0.624842 0.259162 S\n0.624842 0.259162 0.872969 S\n",
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{
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{
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"created_at": "2022-09-04T14:39:29.822696Z",
"structure_string": "Nb6 Te8\n1.0\n5.945196 -10.297381 0.000000\n5.945196 10.297381 0.000000\n0.000000 0.000000 3.608874\nNb Te\n6 8\ndirect\n0.399714 0.925792 0.750000 Nb\n0.074208 0.473922 0.750000 Nb\n0.526078 0.600286 0.750000 Nb\n0.600286 0.074208 0.250000 Nb\n0.925792 0.526078 0.250000 Nb\n0.473922 0.399714 0.250000 Nb\n0.333333 0.666667 0.750000 Te\n0.666667 0.333333 0.250000 Te\n0.075690 0.720403 0.750000 Te\n0.279597 0.355287 0.750000 Te\n0.644713 0.924310 0.750000 Te\n0.924310 0.279597 0.250000 Te\n0.720403 0.644713 0.250000 Te\n0.355287 0.075690 0.250000 Te\n",
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{
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"created_at": "2022-09-04T14:45:36.284333Z",
"structure_string": "K1 Mn2 Cr2 O10\n1.0\n3.088205 4.797160 0.000000\n-3.088205 4.797160 0.000000\n0.000000 3.563698 7.469846\nK Mn Cr O\n1 2 2 10\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.074318 0.074318 0.733230 Cr\n0.925682 0.925682 0.266770 Cr\n0.184708 0.184708 0.849179 O\n0.815292 0.815292 0.150821 O\n0.185930 0.185930 0.520736 O\n0.814070 0.814070 0.479264 O\n0.739692 0.180803 0.785532 O\n0.180803 0.739692 0.785532 O\n0.260308 0.819197 0.214468 O\n0.819197 0.260308 0.214468 O\n0.687548 0.687548 0.924852 O\n0.312452 0.312452 0.075148 O\n",
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"chemical_system": "Cr-K-Mn-O",
"density": 3.098316183898723,
"density_atomic": 0.06777340248692545,
"volume": 221.32576275617467,
"volume_molar": 8.885699314213662,
"formula_full": "K1 Mn2 Cr2 O10",
"formula_reduced": "KMn2Cr2O10",
"formula_anonymous": "AB2C2D10",
"energy": -114.75832469,
"energy_per_atom": -7.650554979333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.55432469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0007499,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.940000Z",
"spacegroup": 12
}
]
}