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{
"id": "mp-985579",
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{
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{
"id": "mp-985582",
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"nsites": 13,
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"elements": [
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"chemical_system": "I-Li-P-S",
"density": 2.1538960242155563,
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"volume": 277.4245836864994,
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{
"id": "mp-985583",
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"structure_string": "Li12 P4 S16\n1.0\n6.213184 0.000000 0.000000\n0.000000 8.132454 0.000000\n0.000000 0.000000 13.183624\nLi P S\n12 4 16\ndirect\n0.389041 0.031720 0.332097 Li\n0.610959 0.968280 0.667903 Li\n0.889041 0.968280 0.167903 Li\n0.110959 0.031720 0.832097 Li\n0.610959 0.531720 0.667903 Li\n0.389041 0.468280 0.332097 Li\n0.110959 0.468280 0.832097 Li\n0.889041 0.531720 0.167903 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.153800 0.250000 0.089243 P\n0.846200 0.750000 0.910757 P\n0.653800 0.750000 0.410757 P\n0.346200 0.250000 0.589243 P\n0.825838 0.250000 0.101364 S\n0.174162 0.750000 0.898636 S\n0.325838 0.750000 0.398636 S\n0.674162 0.250000 0.601364 S\n0.272807 0.250000 0.940527 S\n0.727193 0.750000 0.059473 S\n0.772807 0.750000 0.559473 S\n0.227193 0.250000 0.440527 S\n0.273252 0.037602 0.152438 S\n0.726748 0.962398 0.847562 S\n0.773252 0.962398 0.347562 S\n0.226748 0.037602 0.652438 S\n0.726748 0.537602 0.847562 S\n0.273252 0.462398 0.152438 S\n0.226748 0.462398 0.652438 S\n0.773252 0.537602 0.347562 S\n",
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"formula_full": "Li12 P4 S16",
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{
"id": "mp-985584",
"created_at": "2022-09-04T14:41:59.659048Z",
"structure_string": "Na3 P1 S4\n1.0\n-3.511876 3.511876 3.511876\n3.511876 -3.511876 3.511876\n3.511876 3.511876 -3.511876\nNa P S\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 P\n0.340292 0.000000 0.000000 S\n0.659708 0.659708 0.659708 S\n0.000000 0.000000 0.340292 S\n0.000000 0.340292 0.000000 S\n",
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{
"id": "mp-985585",
"created_at": "2022-09-04T14:41:46.876634Z",
"structure_string": "Li3 Cl1 O1\n1.0\n3.908337 0.000000 0.000000\n0.000000 3.908337 0.000000\n0.000000 0.000000 3.908337\nLi Cl O\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 O\n",
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"formula_full": "Li3 Cl1 O1",
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{
"id": "mp-985586",
"created_at": "2022-09-04T14:40:24.155698Z",
"structure_string": "Na3 Br1 O1\n1.0\n4.601552 0.000000 0.000000\n0.000000 4.601552 0.000000\n0.000000 0.000000 4.601552\nNa Br O\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 O\n",
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"formula_full": "Na3 Br1 O1",
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{
"id": "mp-985587",
"created_at": "2022-09-04T14:39:14.924137Z",
"structure_string": "Al6 O9\n1.0\n2.494138 -4.319974 0.000000\n2.494138 4.319974 0.000000\n0.000000 0.000000 14.533651\nAl O\n6 9\ndirect\n0.666667 0.333333 0.119341 Al\n0.000000 0.000000 0.092630 Al\n0.333333 0.666667 0.082240 Al\n0.666667 0.333333 0.917760 Al\n0.000000 0.000000 0.907370 Al\n0.333333 0.666667 0.880659 Al\n0.013288 0.674900 0.143958 O\n0.325100 0.338388 0.143958 O\n0.661612 0.986712 0.143958 O\n0.324923 0.000000 0.000000 O\n0.000000 0.324923 0.000000 O\n0.675077 0.675077 0.000000 O\n0.338388 0.325100 0.856042 O\n0.674900 0.013288 0.856042 O\n0.986712 0.661612 0.856042 O\n",
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"formula_full": "Al6 O9",
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{
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"structure_string": "Fe1 Cl1\n1.0\n3.102240 0.000000 0.000000\n0.000000 3.102240 0.000000\n0.000000 0.000000 3.102240\nFe Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cl\n",
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{
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"structure_string": "Si8 O16\n1.0\n5.040532 0.000000 0.000000\n0.000000 8.802380 0.000000\n0.000000 0.000000 8.820394\nSi O\n8 16\ndirect\n0.936094 0.180523 0.174817 Si\n0.063906 0.180523 0.825183 Si\n0.436094 0.319477 0.325183 Si\n0.936094 0.819477 0.174817 Si\n0.063906 0.819477 0.825183 Si\n0.436094 0.680523 0.325183 Si\n0.563906 0.319477 0.674817 Si\n0.563906 0.680523 0.674817 Si\n0.016390 0.000000 0.798297 O\n0.500000 0.274782 0.500000 O\n0.516390 0.500000 0.701703 O\n0.983610 0.000000 0.201703 O\n0.129147 0.723876 0.287759 O\n0.870853 0.723876 0.712241 O\n0.000000 0.774782 0.000000 O\n0.629147 0.223876 0.212241 O\n0.370853 0.223876 0.787759 O\n0.500000 0.725218 0.500000 O\n0.370853 0.776124 0.787759 O\n0.129147 0.276124 0.287759 O\n0.629147 0.776124 0.212241 O\n0.483610 0.500000 0.298297 O\n0.000000 0.225218 0.000000 O\n0.870853 0.276124 0.712241 O\n",
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{
"id": "mp-985591",
"created_at": "2022-09-04T14:42:10.959477Z",
"structure_string": "Li6 P1 S5 Br1\n1.0\n0.000000 5.152610 5.152610\n5.152610 0.000000 5.152610\n5.152610 5.152610 0.000000\nLi P S Br\n6 1 5 1\ndirect\n0.523239 0.976761 0.523239 Li\n0.976761 0.523239 0.976761 Li\n0.523239 0.523239 0.976761 Li\n0.976761 0.976761 0.523239 Li\n0.976761 0.523239 0.523239 Li\n0.523239 0.976761 0.976761 Li\n0.500000 0.500000 0.500000 P\n0.384847 0.845459 0.384847 S\n0.845459 0.384847 0.384847 S\n0.384847 0.384847 0.384847 S\n0.384847 0.384847 0.845459 S\n0.750000 0.750000 0.750000 S\n0.000000 0.000000 0.000000 Br\n",
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"elements": [
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"formula_full": "Li6 P1 S5 Br1",
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"spacegroup": 216
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{
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"structure_string": "Li6 P1 S5 Cl1\n1.0\n0.000000 5.139749 5.139749\n5.139749 0.000000 5.139749\n5.139749 5.139749 0.000000\nLi P S Cl\n6 1 5 1\ndirect\n0.523113 0.976887 0.523113 Li\n0.976887 0.523113 0.976887 Li\n0.523113 0.523113 0.976887 Li\n0.976887 0.976887 0.523113 Li\n0.976887 0.523113 0.523113 Li\n0.523113 0.976887 0.976887 Li\n0.500000 0.500000 0.500000 P\n0.384478 0.846567 0.384478 S\n0.846567 0.384478 0.384478 S\n0.384478 0.384478 0.384478 S\n0.384478 0.384478 0.846567 S\n0.750000 0.750000 0.750000 S\n0.000000 0.000000 0.000000 Cl\n",
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"formula_full": "Li6 P1 S5 Cl1",
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]
}