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{
"id": "mp-978840",
"created_at": "2022-09-04T14:46:25.333385Z",
"structure_string": "Sr12 Li24 Si24 N48\n1.0\n10.775631 0.000000 0.000000\n0.000000 10.775631 0.000000\n0.000000 0.000000 10.775631\nSr Li Si N\n12 24 24 48\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.218239 0.218239 0.218239 Sr\n0.281761 0.781761 0.718239 Sr\n0.718239 0.281761 0.781761 Sr\n0.781761 0.718239 0.281761 Sr\n0.781761 0.781761 0.781761 Sr\n0.718239 0.218239 0.281761 Sr\n0.281761 0.718239 0.218239 Sr\n0.218239 0.281761 0.718239 Sr\n0.232316 0.973390 0.110188 Li\n0.267684 0.026610 0.610188 Li\n0.732316 0.526610 0.889812 Li\n0.767684 0.473390 0.389812 Li\n0.110188 0.232316 0.973390 Li\n0.973390 0.110188 0.232316 Li\n0.389812 0.767684 0.473390 Li\n0.026610 0.610188 0.267684 Li\n0.610188 0.267684 0.026610 Li\n0.526610 0.889812 0.732316 Li\n0.889812 0.732316 0.526610 Li\n0.473390 0.389812 0.767684 Li\n0.767684 0.026610 0.889812 Li\n0.732316 0.973390 0.389812 Li\n0.267684 0.473390 0.110188 Li\n0.232316 0.526610 0.610188 Li\n0.889812 0.767684 0.026610 Li\n0.026610 0.889812 0.767684 Li\n0.610188 0.232316 0.526610 Li\n0.973390 0.389812 0.732316 Li\n0.389812 0.732316 0.973390 Li\n0.473390 0.110188 0.267684 Li\n0.110188 0.267684 0.473390 Li\n0.526610 0.610188 0.232316 Li\n0.479836 0.371204 0.243543 Si\n0.020164 0.628796 0.743543 Si\n0.979836 0.128796 0.756457 Si\n0.520164 0.871204 0.256457 Si\n0.243543 0.479836 0.371204 Si\n0.371204 0.243543 0.479836 Si\n0.256457 0.520164 0.871204 Si\n0.628796 0.743543 0.020164 Si\n0.743543 0.020164 0.628796 Si\n0.128796 0.756457 0.979836 Si\n0.756457 0.979836 0.128796 Si\n0.871204 0.256457 0.520164 Si\n0.520164 0.628796 0.756457 Si\n0.979836 0.371204 0.256457 Si\n0.020164 0.871204 0.243543 Si\n0.479836 0.128796 0.743543 Si\n0.756457 0.520164 0.628796 Si\n0.628796 0.756457 0.520164 Si\n0.743543 0.479836 0.128796 Si\n0.371204 0.256457 0.979836 Si\n0.256457 0.979836 0.371204 Si\n0.871204 0.243543 0.020164 Si\n0.243543 0.020164 0.871204 Si\n0.128796 0.743543 0.479836 Si\n0.272496 0.124564 0.992388 N\n0.227504 0.875436 0.492388 N\n0.772496 0.375436 0.007612 N\n0.727504 0.624564 0.507612 N\n0.992388 0.272496 0.124564 N\n0.124564 0.992388 0.272496 N\n0.507612 0.727504 0.624564 N\n0.875436 0.492388 0.227504 N\n0.492388 0.227504 0.875436 N\n0.375436 0.007612 0.772496 N\n0.007612 0.772496 0.375436 N\n0.624564 0.507612 0.727504 N\n0.727504 0.875436 0.007612 N\n0.772496 0.124564 0.507612 N\n0.227504 0.624564 0.992388 N\n0.272496 0.375436 0.492388 N\n0.007612 0.727504 0.875436 N\n0.875436 0.007612 0.727504 N\n0.492388 0.272496 0.375436 N\n0.124564 0.507612 0.772496 N\n0.507612 0.772496 0.124564 N\n0.624564 0.992388 0.227504 N\n0.992388 0.227504 0.624564 N\n0.375436 0.492388 0.272496 N\n0.267918 0.125072 0.443038 N\n0.232082 0.874928 0.943038 N\n0.767918 0.374928 0.556962 N\n0.732082 0.625072 0.056962 N\n0.443038 0.267918 0.125072 N\n0.125072 0.443038 0.267918 N\n0.056962 0.732082 0.625072 N\n0.874928 0.943038 0.232082 N\n0.943038 0.232082 0.874928 N\n0.374928 0.556962 0.767918 N\n0.556962 0.767918 0.374928 N\n0.625072 0.056962 0.732082 N\n0.732082 0.874928 0.556962 N\n0.767918 0.125072 0.056962 N\n0.232082 0.625072 0.443038 N\n0.267918 0.374928 0.943038 N\n0.556962 0.732082 0.874928 N\n0.874928 0.556962 0.732082 N\n0.943038 0.267918 0.374928 N\n0.125072 0.056962 0.767918 N\n0.056962 0.767918 0.125072 N\n0.625072 0.443038 0.232082 N\n0.443038 0.232082 0.625072 N\n0.374928 0.943038 0.267918 N\n",
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"elements": [
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"density": 3.403347743078492,
"density_atomic": 0.08631685782586976,
"volume": 1251.2040257289307,
"volume_molar": 6.976784039276188,
"formula_full": "Sr12 Li24 Si24 N48",
"formula_reduced": "SrLi2(SiN2)2",
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"updated_at": "2021-11-28T01:37:35.740000Z",
"spacegroup": 205
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{
"id": "mp-1218778",
"created_at": "2022-09-04T14:43:06.161755Z",
"structure_string": "Sr8 Li4 Si4 N12\n1.0\n5.349115 5.382263 0.000000\n-5.349115 5.382263 0.000000\n0.000000 5.331618 7.807316\nSr Li Si N\n8 4 4 12\ndirect\n0.347022 0.588173 0.786398 Sr\n0.845490 0.575906 0.821257 Sr\n0.424094 0.154510 0.178743 Sr\n0.411827 0.652978 0.213602 Sr\n0.317831 0.088982 0.852398 Sr\n0.831731 0.095727 0.843319 Sr\n0.904273 0.168269 0.156681 Sr\n0.911018 0.682169 0.147602 Sr\n0.711051 0.480447 0.588891 Li\n0.726968 0.953043 0.546813 Li\n0.519553 0.288949 0.411109 Li\n0.046957 0.273032 0.453187 Li\n0.199940 0.425902 0.596738 Si\n0.201537 0.976043 0.601036 Si\n0.574098 0.800060 0.403262 Si\n0.023957 0.798463 0.398964 Si\n0.436538 0.563462 0.500000 N\n0.046721 0.953279 0.500000 N\n0.056225 0.551150 0.493039 N\n0.448850 0.943775 0.506961 N\n0.227648 0.225618 0.550802 N\n0.774382 0.772352 0.449198 N\n0.089419 0.343534 0.820662 N\n0.091045 0.832045 0.821993 N\n0.656466 0.910581 0.179338 N\n0.167955 0.908955 0.178007 N\n0.574016 0.312615 0.846974 N\n0.687385 0.425984 0.153026 N\n",
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"elements": [
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],
"chemical_system": "Li-N-Si-Sr",
"density": 3.7275602262668244,
"density_atomic": 0.06228442044563462,
"volume": 449.5506227667317,
"volume_molar": 9.668775460881852,
"formula_full": "Sr8 Li4 Si4 N12",
"formula_reduced": "Sr2LiSiN3",
"formula_anonymous": "ABC2D3",
"energy": -170.65524114,
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"updated_at": "2021-11-28T01:35:57.810000Z",
"spacegroup": 5
},
{
"id": "mp-1104857",
"created_at": "2022-09-04T14:48:12.266137Z",
"structure_string": "Sr3 Li4 Si2 N6\n1.0\n-3.083661 -4.875268 0.005797\n-3.083661 4.875268 0.005797\n-0.014522 0.000000 -6.255188\nSr Li Si N\n3 4 2 6\ndirect\n0.691396 0.308604 0.500000 Sr\n0.308604 0.691396 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.038042 0.686077 0.121901 Li\n0.686077 0.038042 0.121901 Li\n0.961958 0.313923 0.878099 Li\n0.313923 0.961958 0.878099 Li\n0.111310 0.111310 0.328072 Si\n0.888690 0.888690 0.671928 Si\n0.051408 0.350884 0.205080 N\n0.350884 0.051408 0.205080 N\n0.948592 0.649116 0.794920 N\n0.649116 0.948592 0.794920 N\n0.819062 0.819062 0.378845 N\n0.180938 0.180938 0.621155 N\n",
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"elements": [
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],
"chemical_system": "Li-N-Si-Sr",
"density": 3.8038457324625696,
"density_atomic": 0.07975425790928121,
"volume": 188.077732690613,
"volume_molar": 7.550870533896834,
"formula_full": "Sr3 Li4 Si2 N6",
"formula_reduced": "Sr3Li4(SiN3)2",
"formula_anonymous": "A2B3C4D6",
"energy": -89.19790653999999,
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"updated_at": "2021-11-28T01:38:35.434000Z",
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},
{
"id": "mp-1190151",
"created_at": "2022-09-04T14:43:24.296642Z",
"structure_string": "Sr6 Li2 Sb2 O12\n1.0\n4.727356 -4.936754 0.000000\n4.727356 4.936754 0.000000\n-0.428072 0.000000 6.821744\nSr Li Sb O\n6 2 2 12\ndirect\n0.601777 0.898223 0.250000 Sr\n0.250000 0.601777 0.898223 Sr\n0.898223 0.250000 0.601777 Sr\n0.750000 0.398223 0.101777 Sr\n0.101777 0.750000 0.398223 Sr\n0.398223 0.101777 0.750000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.281006 0.952215 0.081357 O\n0.081357 0.281006 0.952215 O\n0.952215 0.081357 0.281006 O\n0.581357 0.452215 0.781006 O\n0.781006 0.581357 0.452215 O\n0.452215 0.781006 0.581357 O\n0.718994 0.047785 0.918643 O\n0.918643 0.718994 0.047785 O\n0.047785 0.918643 0.718994 O\n0.418643 0.547785 0.218994 O\n0.218994 0.418643 0.547785 O\n0.547785 0.218994 0.418643 O\n",
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"formula_full": "Sr6 Li2 Sb2 O12",
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"updated_at": "2021-11-28T01:36:22.571000Z",
"spacegroup": 167
},
{
"id": "mp-1218614",
"created_at": "2022-09-04T14:40:21.625935Z",
"structure_string": "Sr4 Li1 Ru3 O12\n1.0\n-5.552357 0.000000 0.000000\n-0.000748 -5.611481 0.000000\n-0.037698 -0.015549 7.974375\nSr Li Ru O\n4 1 3 12\ndirect\n0.510562 0.502601 0.767132 Sr\n0.013428 0.006668 0.767914 Sr\n0.489438 0.497399 0.232868 Sr\n0.986572 0.993332 0.232086 Sr\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.747124 0.732981 0.024701 O\n0.220957 0.776297 0.468482 O\n0.277670 0.279503 0.536576 O\n0.764499 0.250170 0.978183 O\n0.252876 0.267019 0.975299 O\n0.779043 0.223703 0.531518 O\n0.722330 0.720497 0.463424 O\n0.235501 0.749830 0.021817 O\n0.500224 0.948090 0.737132 O\n0.993140 0.563606 0.749968 O\n0.499776 0.051910 0.262868 O\n0.006860 0.436394 0.250032 O\n",
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"formula_full": "Sr4 Li1 Ru3 O12",
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{
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"created_at": "2022-09-04T14:39:11.467392Z",
"structure_string": "Sr6 Li2 Ru2 O12\n1.0\n4.679512 -4.869461 0.000000\n4.679512 4.869461 0.000000\n-0.387607 0.000000 6.742347\nSr Li Ru O\n6 2 2 12\ndirect\n0.891695 0.608305 0.250000 Sr\n0.608305 0.250000 0.891695 Sr\n0.750000 0.108305 0.391695 Sr\n0.391695 0.750000 0.108305 Sr\n0.108305 0.391695 0.750000 Sr\n0.250000 0.891695 0.608305 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.780316 0.452529 0.582631 O\n0.917369 0.047471 0.719684 O\n0.719684 0.917369 0.047471 O\n0.047471 0.719684 0.917369 O\n0.582631 0.780316 0.452529 O\n0.452529 0.582631 0.780316 O\n0.417369 0.219684 0.547471 O\n0.547471 0.417369 0.219684 O\n0.952529 0.280316 0.082631 O\n0.280316 0.082631 0.952529 O\n0.082631 0.952529 0.280316 O\n0.219684 0.547471 0.417369 O\n",
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"elements": [
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"formula_full": "Sr6 Li2 Ru2 O12",
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"energy": -148.69481496,
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"updated_at": "2021-11-28T01:34:37.786000Z",
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{
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"created_at": "2022-09-04T14:44:04.504309Z",
"structure_string": "Sr2 Li1 Re1 O6\n1.0\n-2.808735 2.808735 4.030033\n2.808735 -2.808735 4.030033\n2.808735 2.808735 -4.030033\nSr Li Re O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Re\n0.724752 0.803002 0.527754 O\n0.275248 0.196998 0.472246 O\n0.803002 0.275248 0.078250 O\n0.196998 0.724752 0.921750 O\n0.237474 0.237474 0.000000 O\n0.762526 0.762526 0.000000 O\n",
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"formula_full": "Sr2 Li1 Re1 O6",
"formula_reduced": "Sr2LiReO6",
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"updated_at": "2021-11-28T01:36:20.701000Z",
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{
"id": "mp-12525",
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"structure_string": "Sr2 Li1 Re1 O6\n1.0\n0.000000 3.977924 3.977924\n3.977924 0.000000 3.977924\n3.977924 3.977924 0.000000\nSr Li Re O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Re\n0.761488 0.238512 0.238512 O\n0.761488 0.761488 0.238512 O\n0.238512 0.238512 0.761488 O\n0.238512 0.761488 0.761488 O\n0.238512 0.761488 0.238512 O\n0.761488 0.238512 0.761488 O\n",
"nsites": 10,
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"elements": [
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],
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"volume": 125.89237887715667,
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"formula_full": "Sr2 Li1 Re1 O6",
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"formula_anonymous": "ABC2D6",
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{
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{
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},
{
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{
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]
}