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"results": [
{
"id": "mp-27489",
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"structure_string": "Ba6 Fe8 S15\n1.0\n-5.716409 5.716409 5.070278\n5.716409 -5.716409 5.070278\n5.716409 5.716409 -5.070278\nBa Fe S\n6 8 15\ndirect\n0.867569 0.748893 0.616462 Ba\n0.748893 0.132431 0.881325 Ba\n0.251107 0.867569 0.118675 Ba\n0.132431 0.251107 0.383538 Ba\n0.302753 0.302753 0.000000 Ba\n0.697247 0.697247 0.000000 Ba\n0.574903 0.279881 0.588125 Fe\n0.279881 0.691755 0.704977 Fe\n0.986778 0.574903 0.295023 Fe\n0.691755 0.986778 0.411875 Fe\n0.425097 0.720119 0.411875 Fe\n0.720119 0.308245 0.295023 Fe\n0.013222 0.425097 0.704977 Fe\n0.308245 0.013222 0.588125 Fe\n0.000000 0.000000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.597460 0.705191 0.302650 S\n0.705191 0.402540 0.107731 S\n0.294809 0.597460 0.892269 S\n0.402540 0.294809 0.697350 S\n0.506161 0.307688 0.354731 S\n0.307688 0.952958 0.801528 S\n0.151430 0.506161 0.198472 S\n0.952958 0.151430 0.645269 S\n0.493839 0.692312 0.645269 S\n0.692312 0.047042 0.198472 S\n0.848570 0.493839 0.801528 S\n0.047042 0.848570 0.354731 S\n",
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{
"id": "mp-1191874",
"created_at": "2022-09-04T14:44:11.231927Z",
"structure_string": "Ba8 Fe4 S12\n1.0\n4.172534 0.000000 0.000000\n0.000000 12.100001 0.000000\n0.000000 0.000000 12.180521\nBa Fe S\n8 4 12\ndirect\n0.250000 0.480351 0.825228 Ba\n0.250000 0.019649 0.325228 Ba\n0.750000 0.519649 0.174772 Ba\n0.750000 0.980351 0.674772 Ba\n0.250000 0.670570 0.487643 Ba\n0.250000 0.829430 0.987643 Ba\n0.750000 0.329430 0.512357 Ba\n0.750000 0.170570 0.012357 Ba\n0.250000 0.200461 0.745110 Fe\n0.250000 0.299539 0.245110 Fe\n0.750000 0.799539 0.254890 Fe\n0.750000 0.700461 0.754890 Fe\n0.250000 0.054758 0.857294 S\n0.250000 0.445242 0.357294 S\n0.750000 0.945242 0.142706 S\n0.750000 0.554758 0.642706 S\n0.250000 0.144504 0.569009 S\n0.250000 0.355496 0.069009 S\n0.750000 0.855496 0.430991 S\n0.750000 0.644504 0.930991 S\n0.250000 0.737117 0.234238 S\n0.250000 0.762883 0.734238 S\n0.750000 0.262883 0.765762 S\n0.750000 0.237117 0.265762 S\n",
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"density_atomic": 0.03902654331943598,
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"formula_full": "Ba8 Fe4 S12",
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"updated_at": "2021-11-28T01:36:28.790000Z",
"spacegroup": 62
},
{
"id": "mp-675078",
"created_at": "2022-09-04T14:42:20.884190Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n-3.853006 3.853006 2.528194\n3.853006 -3.853006 2.528194\n3.853006 3.853006 -2.528194\nBa Fe S\n1 2 4\ndirect\n0.069630 0.069630 0.000000 Ba\n0.751675 0.251675 0.500000 Fe\n0.251675 0.751675 0.500000 Fe\n0.198477 0.389892 0.578085 S\n0.389892 0.811808 0.191415 S\n0.620393 0.198477 0.808585 S\n0.811808 0.620393 0.421915 S\n",
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"formula_full": "Ba1 Fe2 S4",
"formula_reduced": "Ba(FeS2)2",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:35:47.630000Z",
"spacegroup": 79
},
{
"id": "mp-22739",
"created_at": "2022-09-04T14:41:28.615425Z",
"structure_string": "Ba2 Fe4 S6\n1.0\n4.376621 -5.373663 0.000000\n4.376621 5.373663 0.000000\n0.000000 0.000000 5.165124\nBa Fe S\n2 4 6\ndirect\n0.682886 0.317114 0.250000 Ba\n0.317114 0.682886 0.750000 Ba\n0.145175 0.145175 0.000000 Fe\n0.854825 0.854825 0.000000 Fe\n0.854825 0.854825 0.500000 Fe\n0.145175 0.145175 0.500000 Fe\n0.819390 0.600010 0.750000 S\n0.180610 0.399990 0.250000 S\n0.600010 0.819390 0.250000 S\n0.399990 0.180610 0.750000 S\n0.889825 0.110175 0.750000 S\n0.110175 0.889825 0.250000 S\n",
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"formula_full": "Ba2 Fe4 S6",
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"spacegroup": 63
},
{
"id": "mp-618964",
"created_at": "2022-09-04T14:41:24.099105Z",
"structure_string": "Ba10 Fe8 S22\n1.0\n7.304863 0.000000 0.000000\n0.000000 8.797062 0.000000\n0.000000 0.000000 15.965310\nBa Fe S\n10 8 22\ndirect\n0.025389 0.251523 0.500000 Ba\n0.021490 0.370246 0.803194 Ba\n0.978510 0.870246 0.696806 Ba\n0.021490 0.370246 0.196806 Ba\n0.531157 0.490441 0.672627 Ba\n0.974611 0.751523 0.000000 Ba\n0.531157 0.490441 0.327373 Ba\n0.978510 0.870246 0.303194 Ba\n0.468843 0.990441 0.172627 Ba\n0.468843 0.990441 0.827373 Ba\n0.054163 0.637245 0.500000 Fe\n0.945837 0.137245 0.000000 Fe\n0.482126 0.596187 0.112029 Fe\n0.517874 0.096187 0.387971 Fe\n0.517874 0.096187 0.612029 Fe\n0.622941 0.303180 0.000000 Fe\n0.377059 0.803180 0.500000 Fe\n0.482126 0.596187 0.887971 Fe\n0.743412 0.166819 0.696498 S\n0.058914 0.041538 0.118392 S\n0.582243 0.239663 0.500000 S\n0.743412 0.166819 0.303502 S\n0.742175 0.676716 0.170836 S\n0.256588 0.666819 0.803502 S\n0.089765 0.891625 0.500000 S\n0.468485 0.341465 0.118222 S\n0.654870 0.056841 0.000000 S\n0.531515 0.841465 0.618222 S\n0.941086 0.541538 0.381608 S\n0.257825 0.176716 0.329164 S\n0.257825 0.176716 0.670836 S\n0.345130 0.556841 0.500000 S\n0.910235 0.391625 0.000000 S\n0.256588 0.666819 0.196498 S\n0.742175 0.676716 0.829164 S\n0.941086 0.541538 0.618392 S\n0.058914 0.041538 0.881608 S\n0.531515 0.841465 0.381778 S\n0.417757 0.739663 0.000000 S\n0.468485 0.341465 0.881778 S\n",
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"formula_full": "Ba10 Fe8 S22",
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"spacegroup": 31
},
{
"id": "mp-680291",
"created_at": "2022-09-04T14:40:33.078823Z",
"structure_string": "Ba60 Fe28 S100\n1.0\n9.616609 0.000000 0.000000\n0.000000 12.757111 0.000000\n0.000000 0.000000 42.303239\nBa Fe S\n60 28 100\ndirect\n0.250000 0.514784 0.586621 Ba\n0.750000 0.080338 0.314225 Ba\n0.015381 0.778037 0.784825 Ba\n0.250000 0.956199 0.476161 Ba\n0.974472 0.158558 0.014842 Ba\n0.515381 0.278037 0.715175 Ba\n0.530143 0.394079 0.315403 Ba\n0.530143 0.105921 0.815403 Ba\n0.987127 0.656518 0.891286 Ba\n0.015381 0.721963 0.284825 Ba\n0.496470 0.296629 0.906315 Ba\n0.469857 0.894079 0.184597 Ba\n0.030143 0.605921 0.684597 Ba\n0.484619 0.721963 0.284825 Ba\n0.750000 0.498832 0.225316 Ba\n0.512873 0.843482 0.391286 Ba\n0.987127 0.843482 0.391286 Ba\n0.525528 0.341442 0.514842 Ba\n0.503530 0.703371 0.093685 Ba\n0.750000 0.043801 0.523839 Ba\n0.003530 0.296629 0.906315 Ba\n0.012873 0.343482 0.108714 Ba\n0.250000 0.919662 0.685775 Ba\n0.996470 0.703371 0.093685 Ba\n0.750000 0.485216 0.413379 Ba\n0.750000 0.001168 0.725316 Ba\n0.487127 0.156518 0.608714 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"volume": 5189.767640714988,
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"formula_full": "Ba60 Fe28 S100",
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"updated_at": "2021-11-28T01:34:56.672000Z",
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},
{
"id": "mp-1096808",
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"structure_string": "Ba2 Fe2 S2\n1.0\n3.821574 0.000000 0.000000\n0.000000 3.821574 0.000000\n0.000000 0.000000 9.759664\nBa Fe S\n2 2 2\ndirect\n0.500000 0.000000 0.210574 Ba\n0.000000 0.500000 0.789426 Ba\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.619565 S\n0.000000 0.500000 0.380435 S\n",
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