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{
"id": "jvasp-100805",
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"structure_string": "Sr1 In3 Hg1\n1.0\n4.546538 0.077872 -5.597709\n-0.512962 4.518179 -5.597709\n-0.068342 -0.077872 7.211150\nSr In Hg\n1 3 1\ndirect\n0.008022 0.008022 0.000000 Sr\n0.747725 0.247725 0.500000 In\n0.247725 0.747725 0.500001 In\n0.389237 0.389237 0.000000 In\n0.607294 0.607293 0.000000 Hg\n",
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{
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"created_at": "2022-09-04T14:37:30.589024Z",
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"structure_string": "Sr1 In4\n1.0\n4.637452 -0.000000 -1.737231\n-0.650783 4.591561 -1.737231\n-0.006213 -0.007156 7.041751\nSr In\n1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.249999 0.500000 In\n0.250001 0.749999 0.500000 In\n0.385566 0.385565 0.771131 In\n0.614435 0.614434 0.228869 In\n",
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"structure_string": "Sr1 In5\n1.0\n6.296988 -0.000000 0.000000\n-3.148492 5.453352 -0.000000\n0.000000 -0.000000 5.302799\nSr In\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.333333 0.666667 0.000000 In\n0.666667 0.333333 0.000000 In\n",
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{
"id": "jvasp-36603",
"created_at": "2022-09-04T14:37:20.211900Z",
"updated_at": "2022-09-04T14:37:20.211917Z",
"structure_string": "Sr1 Ir1 O3\n1.0\n3.994572 -0.000000 0.000000\n-0.000000 3.994572 -0.000000\n-0.000000 -0.000000 3.994572\nSr Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Ir-O-Sr",
"density": 8.540708893636864,
"density_atomic": 0.07844391201042375,
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"formula_full": "Sr1 Ir1 O3",
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"spacegroup": 221
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{
"id": "jvasp-108923",
"created_at": "2022-09-04T14:38:20.102447Z",
"updated_at": "2022-09-04T14:38:20.102467Z",
"structure_string": "Sr1 La1 Al1 O4\n1.0\n3.638187 0.009920 -5.775431\n-0.294905 3.626228 -5.775431\n-0.009121 -0.009920 6.825828\nSr La Al O\n1 1 1 4\ndirect\n0.642528 0.642528 0.000000 Sr\n0.358018 0.358018 0.000000 La\n0.005552 0.005552 0.000000 Al\n0.838868 0.838868 0.000000 O\n0.163368 0.163368 0.000000 O\n0.995834 0.495834 0.500001 O\n0.495833 0.995834 0.500000 O\n",
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"elements": [
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"density": 5.8805373231642575,
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"volume": 89.6565700431854,
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"formula_full": "Sr1 La1 Al1 O4",
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{
"id": "jvasp-110165",
"created_at": "2022-09-04T14:38:27.167146Z",
"updated_at": "2022-09-04T14:38:27.167156Z",
"structure_string": "Sr1 La1 Co1 O4\n1.0\n3.658777 0.000020 1.071098\n-0.313550 3.645335 1.071084\n0.007320 0.007977 6.759962\nSr La Co O\n1 1 1 4\ndirect\n0.359599 0.359597 0.280751 Sr\n0.639541 0.639543 0.721170 La\n0.992903 0.992902 0.014154 Co\n0.506613 0.006656 0.986735 O\n0.006656 0.506613 0.986736 O\n0.160793 0.160793 0.678314 O\n0.833899 0.833897 0.332138 O\n",
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"elements": [
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"density": 6.440585395738202,
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{
"id": "jvasp-101112",
"created_at": "2022-09-04T14:36:53.624953Z",
"updated_at": "2022-09-04T14:36:53.624974Z",
"structure_string": "Sr1 La1 Co2 O6\n1.0\n4.678024 0.000000 2.700858\n1.559341 4.410483 2.700858\n0.000000 0.000000 5.401717\nSr La Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500001 La\n0.250000 0.250000 0.250000 Co\n0.749999 0.749999 0.750001 Co\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000001 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500001 O\n-0.000000 0.500000 0.500001 O\n0.500000 0.000000 0.000000 O\n",
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"volume": 111.45009049512083,
"volume_molar": 6.711681326763558,
"formula_full": "Sr1 La1 Co2 O6",
"formula_reduced": "SrLa(CoO3)2",
"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:36:37.448513Z",
"updated_at": "2022-09-04T14:36:37.448531Z",
"structure_string": "Sr1 La1 Cu1 O4\n1.0\n3.706135 0.012945 -5.773090\n-0.308100 3.693329 -5.773090\n-0.011869 -0.012945 6.860311\nSr La Cu O\n1 1 1 4\ndirect\n0.639532 0.639532 0.000002 Sr\n0.360305 0.360305 0.000001 La\n0.002932 0.002932 0.000000 Cu\n0.994671 0.494670 0.500002 O\n0.494670 0.994670 0.500001 O\n0.834985 0.834985 0.000002 O\n0.172910 0.172910 0.000000 O\n",
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"elements": [
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],
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"density": 6.296338610774316,
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"volume": 93.37895550973634,
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"formula_full": "Sr1 La1 Cu1 O4",
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{
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"created_at": "2022-09-04T14:36:41.398638Z",
"updated_at": "2022-09-04T14:36:41.398656Z",
"structure_string": "Sr1 La1 Fe2 O6\n1.0\n4.716652 0.011108 2.680308\n1.563833 4.450278 2.679661\n0.014482 0.011094 5.425692\nSr La Fe O\n1 1 2 6\ndirect\n0.249999 0.250000 0.250001 Sr\n0.749998 0.750001 0.750000 La\n0.500106 0.500110 0.500109 Fe\n-0.000111 -0.000107 -0.000108 Fe\n0.727064 0.772935 0.250001 O\n0.773028 0.249874 0.726981 O\n0.250125 0.726970 0.773020 O\n0.218565 0.750100 0.281426 O\n0.749900 0.281435 0.218574 O\n0.281317 0.218682 0.750000 O\n",
"nsites": 10,
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],
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"density": 6.351125956170165,
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"formula_full": "Sr1 La1 Fe2 O6",
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{
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"created_at": "2022-09-04T14:36:50.281365Z",
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"structure_string": "Sr1 La1 Ga1 O4\n1.0\n3.730521 0.020784 -5.787105\n-0.305893 3.718017 -5.787105\n-0.019038 -0.020784 6.885275\nSr La Ga O\n1 1 1 4\ndirect\n0.642266 0.642266 -0.000001 Sr\n0.358267 0.358266 -0.000000 La\n0.006809 0.006809 -0.000000 Ga\n0.994482 0.494482 0.499999 O\n0.494482 0.994483 0.500001 O\n0.834398 0.834398 -0.000001 O\n0.169297 0.169297 -0.000000 O\n",
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{
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"structure_string": "Sr1 La1 Hg2\n1.0\n4.801059 -0.000000 2.771893\n1.600353 4.526482 2.771893\n-0.000000 -0.000000 5.543785\nSr La Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
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"created_at": "2022-09-04T14:36:34.537668Z",
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"structure_string": "Sr1 La1 Mn1 O4\n1.0\n3.715569 -0.000000 1.075185\n-0.311130 3.702520 1.075185\n0.022149 0.024088 6.881084\nSr La Mn O\n1 1 1 4\ndirect\n0.358469 0.358469 0.283062 Sr\n0.641632 0.641633 0.716736 La\n0.996963 0.996963 0.006076 Mn\n0.504676 0.004676 0.990648 O\n0.004675 0.504676 0.990648 O\n0.165254 0.165254 0.669491 O\n0.828331 0.828331 0.343339 O\n",
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"formula_full": "Sr1 La1 Mn1 O4",
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