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{
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{
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{
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"structure_string": "Sr2 In4\n1.0\n2.548326 -4.413830 0.000000\n2.548326 4.413830 0.000000\n0.000000 0.000000 8.127298\nSr In\n2 4\ndirect\n0.000000 0.000000 0.750000 Sr\n0.000000 0.000000 0.250000 Sr\n0.333333 0.666667 0.954584 In\n0.666667 0.333333 0.454584 In\n0.333333 0.666667 0.545416 In\n0.666667 0.333333 0.045416 In\n",
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{
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"structure_string": "Sr2 In4 Ir2\n1.0\n2.170173 -5.581265 0.000000\n2.170173 5.581265 0.000000\n0.000000 0.000000 8.186791\nSr In Ir\n2 4 2\ndirect\n0.939242 0.060758 0.750000 Sr\n0.060758 0.939242 0.250000 Sr\n0.654524 0.345476 0.947338 In\n0.654524 0.345476 0.552662 In\n0.345476 0.654524 0.052662 In\n0.345476 0.654524 0.447338 In\n0.219988 0.780012 0.750000 Ir\n0.780012 0.219988 0.250000 Ir\n",
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{
"id": "mp-540688",
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"structure_string": "Sr4 In8 O16\n1.0\n3.320881 0.000000 0.000000\n0.000000 9.970325 0.000000\n0.000000 0.000000 11.664861\nSr In O\n4 8 16\ndirect\n0.750000 0.256045 0.848314 Sr\n0.250000 0.743955 0.151686 Sr\n0.750000 0.756045 0.651686 Sr\n0.250000 0.243955 0.348314 Sr\n0.750000 0.918768 0.393461 In\n0.250000 0.081232 0.606539 In\n0.750000 0.418768 0.106539 In\n0.250000 0.581232 0.893461 In\n0.750000 0.930218 0.888518 In\n0.250000 0.069782 0.111482 In\n0.750000 0.430218 0.611482 In\n0.250000 0.569782 0.388518 In\n0.750000 0.706458 0.330983 O\n0.250000 0.293542 0.669017 O\n0.750000 0.206458 0.169017 O\n0.250000 0.793542 0.830983 O\n0.750000 0.621135 0.021072 O\n0.250000 0.378865 0.978928 O\n0.750000 0.121135 0.478928 O\n0.250000 0.878865 0.521072 O\n0.750000 0.023824 0.717759 O\n0.250000 0.976176 0.282241 O\n0.750000 0.523824 0.782241 O\n0.250000 0.476176 0.217759 O\n0.750000 0.918414 0.074066 O\n0.250000 0.081586 0.925934 O\n0.750000 0.418414 0.425934 O\n0.250000 0.581586 0.574066 O\n",
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{
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"structure_string": "Sr2 In4 Pd2\n1.0\n2.303405 -5.484818 0.000000\n2.303405 5.484818 0.000000\n0.000000 0.000000 8.018383\nSr In Pd\n2 4 2\ndirect\n0.939248 0.060752 0.750000 Sr\n0.060752 0.939248 0.250000 Sr\n0.651617 0.348383 0.945627 In\n0.348383 0.651617 0.054373 In\n0.348383 0.651617 0.445627 In\n0.651617 0.348383 0.554373 In\n0.219965 0.780035 0.750000 Pd\n0.780035 0.219965 0.250000 Pd\n",
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{
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"structure_string": "Sr2 In4 P8 O32\n1.0\n4.774933 -4.897176 0.000000\n4.774933 4.897176 0.000000\n0.000000 0.000000 14.103494\nSr In P O\n2 4 8 32\ndirect\n0.225604 0.225604 0.000000 Sr\n0.774396 0.774396 0.500000 Sr\n0.850259 0.149741 0.750000 In\n0.149741 0.850259 0.250000 In\n0.642033 0.642033 0.000000 In\n0.357967 0.357967 0.500000 In\n0.744790 0.149691 0.992055 P\n0.149691 0.744790 0.007945 P\n0.255210 0.850309 0.492055 P\n0.850309 0.255210 0.507945 P\n0.352502 0.247071 0.738191 P\n0.247071 0.352502 0.261809 P\n0.647498 0.752929 0.238191 P\n0.752929 0.647498 0.761809 P\n0.170844 0.881959 0.921656 O\n0.881959 0.170844 0.078344 O\n0.829156 0.118041 0.421656 O\n0.118041 0.829156 0.578344 O\n0.830767 0.120561 0.596883 O\n0.120561 0.830767 0.403117 O\n0.169233 0.879439 0.096883 O\n0.879439 0.169233 0.903117 O\n0.620394 0.958240 0.994203 O\n0.958240 0.620394 0.005797 O\n0.379606 0.041760 0.494203 O\n0.041760 0.379606 0.505797 O\n0.599259 0.320382 0.992798 O\n0.320382 0.599259 0.007202 O\n0.400741 0.679618 0.492798 O\n0.679618 0.400741 0.507202 O\n0.535317 0.126578 0.754886 O\n0.126578 0.535317 0.245114 O\n0.464683 0.873422 0.254886 O\n0.873422 0.464683 0.745114 O\n0.641034 0.701699 0.669853 O\n0.701699 0.641034 0.330147 O\n0.358966 0.298301 0.169853 O\n0.298301 0.358966 0.830147 O\n0.618592 0.623321 0.848315 O\n0.623321 0.618592 0.151685 O\n0.381408 0.376679 0.348315 O\n0.376679 0.381408 0.651685 O\n0.164958 0.116866 0.730568 O\n0.116866 0.164958 0.269432 O\n0.835042 0.883134 0.230568 O\n0.883134 0.835042 0.769432 O\n",
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{
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{
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"structure_string": "Sr2 In4 Rh2\n1.0\n2.213421 -5.517097 0.000000\n2.213421 5.517097 0.000000\n0.000000 0.000000 8.089332\nSr In Rh\n2 4 2\ndirect\n0.940470 0.059530 0.750000 Sr\n0.059530 0.940470 0.250000 Sr\n0.654780 0.345220 0.946178 In\n0.345220 0.654780 0.053822 In\n0.345220 0.654780 0.446178 In\n0.654780 0.345220 0.553822 In\n0.218230 0.781770 0.750000 Rh\n0.781770 0.218230 0.250000 Rh\n",
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{
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{
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.31441118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041021,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.940000Z",
"spacegroup": 107
}
]
}