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{
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{
"id": "mp-753817",
"created_at": "2022-09-04T14:45:59.462900Z",
"structure_string": "Sr8 Li8 Ni4 O16\n1.0\n-0.521548 5.424583 -0.331342\n-3.323183 -1.371194 10.658862\n6.677488 -0.721198 5.454501\nSr Li Ni O\n8 8 4 16\ndirect\n0.277818 0.373047 0.026750 Sr\n0.277798 0.873125 0.026678 Sr\n0.722160 0.126929 0.973252 Sr\n0.722204 0.626895 0.973293 Sr\n0.826792 0.275766 0.305129 Sr\n0.826771 0.775804 0.305139 Sr\n0.173203 0.224249 0.694845 Sr\n0.173217 0.724191 0.694868 Sr\n0.800679 0.462830 0.454764 Li\n0.800698 0.962814 0.454859 Li\n0.199293 0.037167 0.545203 Li\n0.199227 0.537171 0.545162 Li\n0.413704 0.350882 0.412404 Li\n0.413778 0.850874 0.412494 Li\n0.586245 0.149112 0.587537 Li\n0.586218 0.649119 0.587527 Li\n0.291476 0.570056 0.245273 Ni\n0.708709 0.930170 0.754664 Ni\n0.291449 0.069831 0.245462 Ni\n0.708610 0.430002 0.754708 Ni\n0.579011 0.479246 0.238003 O\n0.579042 0.979245 0.238037 O\n0.421005 0.020754 0.761971 O\n0.420936 0.520724 0.761965 O\n0.199365 0.155644 0.995921 O\n0.199398 0.655721 0.995908 O\n0.800617 0.344309 0.004076 O\n0.800643 0.844315 0.004118 O\n0.123676 0.419208 0.424493 O\n0.123687 0.919166 0.424584 O\n0.876344 0.080815 0.575477 O\n0.876254 0.580801 0.575431 O\n0.346032 0.199074 0.356317 O\n0.346053 0.699095 0.356423 O\n0.653937 0.300898 0.643622 O\n0.653953 0.800950 0.643640 O\n",
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"spacegroup": 2
},
{
"id": "mp-775913",
"created_at": "2022-09-04T14:42:16.920099Z",
"structure_string": "Sr8 Li32 Ni8 O32\n1.0\n14.642392 0.000000 0.000000\n0.000000 5.694640 0.000000\n0.000000 3.176988 10.696403\nSr Li Ni O\n8 32 8 32\ndirect\n0.800159 0.636038 0.744076 Sr\n0.557231 0.079819 0.333985 Sr\n0.300159 0.363962 0.755924 Sr\n0.057231 0.920181 0.166015 Sr\n0.942769 0.079819 0.833985 Sr\n0.699841 0.636038 0.244076 Sr\n0.442769 0.920181 0.666015 Sr\n0.199841 0.363962 0.255924 Sr\n0.928691 0.924154 0.541456 Li\n0.171298 0.812533 0.617727 Li\n0.666640 0.458743 0.004776 Li\n0.610569 0.663152 0.630736 Li\n0.925041 0.378578 0.026053 Li\n0.473531 0.343205 0.075590 Li\n0.368493 0.105995 0.220903 Li\n0.110569 0.336848 0.869264 Li\n0.727222 0.880845 0.483243 Li\n0.833360 0.458743 0.504776 Li\n0.671298 0.187467 0.882273 Li\n0.227222 0.119155 0.016757 Li\n0.868493 0.894005 0.279097 Li\n0.574959 0.378578 0.526053 Li\n0.428691 0.075846 0.958544 Li\n0.026469 0.343205 0.575590 Li\n0.973531 0.656795 0.424410 Li\n0.571309 0.924154 0.041456 Li\n0.425041 0.621422 0.473947 Li\n0.131507 0.105995 0.720903 Li\n0.772778 0.880845 0.983243 Li\n0.328702 0.812533 0.117727 Li\n0.166640 0.541257 0.495224 Li\n0.272778 0.119155 0.516757 Li\n0.889431 0.663152 0.130736 Li\n0.631507 0.894005 0.779097 Li\n0.526469 0.656795 0.924410 Li\n0.074959 0.621422 0.973947 Li\n0.389431 0.336848 0.369264 Li\n0.333360 0.541257 0.995224 Li\n0.828702 0.187467 0.382273 Li\n0.071309 0.075846 0.458544 Li\n0.022961 0.644278 0.705232 Ni\n0.779121 0.186365 0.130749 Ni\n0.522961 0.355722 0.794768 Ni\n0.279121 0.813635 0.369251 Ni\n0.720879 0.186365 0.630749 Ni\n0.477039 0.644278 0.205232 Ni\n0.220879 0.813635 0.869251 Ni\n0.977039 0.355722 0.294768 Ni\n0.202239 0.465027 0.957545 O\n0.635147 0.540516 0.822249 O\n0.983284 0.468959 0.871366 O\n0.427419 0.452057 0.898132 O\n0.927419 0.547943 0.601868 O\n0.965462 0.001816 0.362862 O\n0.737243 0.029861 0.305794 O\n0.483284 0.531041 0.628634 O\n0.393125 0.979738 0.416391 O\n0.135147 0.459484 0.677751 O\n0.702239 0.534973 0.542455 O\n0.183782 0.959185 0.441597 O\n0.683782 0.040815 0.058403 O\n0.893125 0.020262 0.083609 O\n0.237243 0.970139 0.194206 O\n0.465462 0.998184 0.137138 O\n0.534538 0.001816 0.862862 O\n0.762757 0.029861 0.805794 O\n0.106875 0.979738 0.916391 O\n0.316218 0.959185 0.941597 O\n0.816218 0.040815 0.558403 O\n0.297761 0.465027 0.457545 O\n0.864853 0.540516 0.322249 O\n0.606875 0.020262 0.583609 O\n0.516716 0.468959 0.371366 O\n0.262757 0.970139 0.694206 O\n0.034538 0.998184 0.637138 O\n0.072581 0.452057 0.398132 O\n0.572581 0.547943 0.101868 O\n0.016716 0.531041 0.128634 O\n0.364853 0.459484 0.177751 O\n0.797761 0.534973 0.042455 O\n",
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"elements": [
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"chemical_system": "Li-Ni-O-Sr",
"density": 3.5459843665304174,
"density_atomic": 0.0896961755555402,
"volume": 891.8997884192254,
"volume_molar": 6.713932587093492,
"formula_full": "Sr8 Li32 Ni8 O32",
"formula_reduced": "SrLi4NiO4",
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"updated_at": "2021-11-28T01:35:39.366000Z",
"spacegroup": 14
},
{
"id": "mp-568322",
"created_at": "2022-09-04T14:40:16.873934Z",
"structure_string": "Sr3 Li3 Ni4 N4\n1.0\n-2.026529 3.529826 8.402539\n2.026529 -3.529826 8.402539\n2.026529 3.529826 -8.402539\nSr Li Ni N\n3 3 4 4\ndirect\n0.781850 0.781850 0.000000 Sr\n0.218150 0.218150 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.615863 0.115863 0.500000 Li\n0.384137 0.884137 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.630239 0.380277 0.249962 Ni\n0.130316 0.380277 0.750038 Ni\n0.369761 0.619723 0.750038 Ni\n0.869684 0.619723 0.249962 Ni\n0.883603 0.383603 0.500000 N\n0.116397 0.616397 0.500000 N\n0.379479 0.379479 0.000000 N\n0.620521 0.620521 0.000000 N\n",
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"elements": [
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],
"chemical_system": "Li-N-Ni-Sr",
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"formula_full": "Sr3 Li3 Ni4 N4",
"formula_reduced": "Sr3Li3(NiN)4",
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"updated_at": "2021-11-28T01:34:54.656000Z",
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},
{
"id": "mp-1218941",
"created_at": "2022-09-04T14:48:07.371640Z",
"structure_string": "Sr10 Li24 Ni1 N15\n1.0\n-3.773335 0.000000 0.000000\n0.000000 0.000000 -3.916811\n-1.886668 -52.010274 0.000000\nSr Li Ni N\n10 24 1 15\ndirect\n0.982409 0.000000 0.035181 Sr\n0.382798 0.000000 0.234404 Sr\n0.782787 0.000000 0.434427 Sr\n0.182751 0.000000 0.634497 Sr\n0.582770 0.000000 0.834460 Sr\n0.417230 0.000000 0.165540 Sr\n0.817249 0.000000 0.365503 Sr\n0.217213 0.000000 0.565573 Sr\n0.617202 0.000000 0.765596 Sr\n0.017591 0.000000 0.964819 Sr\n0.955599 0.000000 0.088802 Li\n0.355690 0.000000 0.288619 Li\n0.755697 0.000000 0.488607 Li\n0.155678 0.000000 0.688645 Li\n0.555693 0.000000 0.888615 Li\n0.444307 0.000000 0.111385 Li\n0.844322 0.000000 0.311355 Li\n0.244303 0.000000 0.511393 Li\n0.644310 0.000000 0.711381 Li\n0.044401 0.000000 0.911198 Li\n0.463979 0.500000 0.072042 Li\n0.863912 0.500000 0.272177 Li\n0.263916 0.500000 0.472168 Li\n0.663902 0.500000 0.672196 Li\n0.063894 0.500000 0.872211 Li\n0.936106 0.500000 0.127789 Li\n0.336098 0.500000 0.327804 Li\n0.736084 0.500000 0.527832 Li\n0.136088 0.500000 0.727823 Li\n0.536021 0.500000 0.927958 Li\n0.899998 0.500000 0.200004 Li\n0.300007 0.500000 0.399985 Li\n0.699993 0.500000 0.600015 Li\n0.100002 0.500000 0.799996 Li\n0.500000 0.500000 0.000000 Ni\n0.935085 0.000000 0.129830 N\n0.335098 0.000000 0.329804 N\n0.735120 0.000000 0.529760 N\n0.135132 0.000000 0.729736 N\n0.535265 0.000000 0.929469 N\n0.464735 0.000000 0.070531 N\n0.864868 0.000000 0.270264 N\n0.264880 0.000000 0.470240 N\n0.664902 0.000000 0.670196 N\n0.064915 0.000000 0.870170 N\n0.000000 0.500000 0.000000 N\n0.399989 0.500000 0.200023 N\n0.800001 0.500000 0.399998 N\n0.199999 0.500000 0.600002 N\n0.600011 0.500000 0.799977 N\n",
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"elements": [
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"formula_full": "Sr10 Li24 Ni1 N15",
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"updated_at": "2021-11-28T01:38:29.049000Z",
"spacegroup": 65
},
{
"id": "mp-559663",
"created_at": "2022-09-04T14:44:31.259017Z",
"structure_string": "Sr2 Li2 Ni2 F12\n1.0\n2.611614 -4.523449 0.000000\n2.611614 4.523449 0.000000\n0.000000 0.000000 10.470123\nSr Li Ni F\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.750000 Ni\n0.377449 0.019865 0.145718 F\n0.622551 0.642417 0.645718 F\n0.357583 0.980135 0.645718 F\n0.019865 0.377449 0.645718 F\n0.980135 0.622551 0.354282 F\n0.980135 0.357583 0.145718 F\n0.642417 0.622551 0.145718 F\n0.642417 0.019865 0.354282 F\n0.019865 0.642417 0.854282 F\n0.377449 0.357583 0.354282 F\n0.622551 0.980135 0.854282 F\n0.357583 0.377449 0.854282 F\n",
"nsites": 18,
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"elements": [
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],
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"formula_full": "Sr2 Li2 Ni2 F12",
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"energy": -95.55123986,
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"spacegroup": 163
},
{
"id": "mp-753864",
"created_at": "2022-09-04T14:43:42.182882Z",
"structure_string": "Sr2 Li2 Nb4 O13\n1.0\n-2.002387 2.002387 17.259159\n2.002387 -2.002387 17.259159\n2.002387 2.002387 -17.259159\nSr Li Nb O\n2 2 4 13\ndirect\n0.616488 0.616488 0.000000 Sr\n0.383512 0.383512 0.000000 Sr\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.943813 0.943813 0.000000 Nb\n0.821220 0.821220 0.000000 Nb\n0.056187 0.056187 0.000000 Nb\n0.178780 0.178780 0.000000 Nb\n0.000000 0.000000 0.000000 O\n0.062380 0.562380 0.500000 O\n0.173230 0.673230 0.500000 O\n0.326770 0.826770 0.500000 O\n0.437620 0.937620 0.500000 O\n0.766184 0.766184 0.000000 O\n0.883076 0.883076 0.000000 O\n0.116924 0.116924 0.000000 O\n0.233816 0.233816 0.000000 O\n0.673230 0.173230 0.500000 O\n0.562380 0.062380 0.500000 O\n0.937620 0.437620 0.500000 O\n0.826770 0.326770 0.500000 O\n",
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"density_atomic": 0.07586538036582655,
"volume": 276.8060991553325,
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"formula_full": "Sr2 Li2 Nb4 O13",
"formula_reduced": "Sr2Li2Nb4O13",
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"updated_at": "2021-11-28T01:36:14.492000Z",
"spacegroup": 139
},
{
"id": "mp-561294",
"created_at": "2022-09-04T14:42:13.413313Z",
"structure_string": "Sr1 Li2 Nb2 O7\n1.0\n-2.006508 2.006508 9.209421\n2.006508 -2.006508 9.209421\n2.006508 2.006508 -9.209421\nSr Li Nb O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.384435 0.384435 0.000000 Nb\n0.615565 0.615565 0.000000 Nb\n0.605395 0.105395 0.500000 O\n0.105395 0.605395 0.500000 O\n0.718769 0.718769 0.000000 O\n0.894605 0.394605 0.500000 O\n0.281231 0.281231 0.000000 O\n0.500000 0.500000 0.000000 O\n0.394605 0.894605 0.500000 O\n",
"nsites": 12,
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"elements": [
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"volume": 148.3112548155138,
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"formula_full": "Sr1 Li2 Nb2 O7",
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"energy": -96.45601899,
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"spacegroup": 139
},
{
"id": "mp-1218571",
"created_at": "2022-09-04T14:48:24.960562Z",
"structure_string": "Sr3 Li4 Nb6 O20\n1.0\n2.829136 -13.319935 0.000000\n2.829136 13.319935 0.000000\n0.000000 0.000000 5.658715\nSr Li Nb O\n3 4 6 20\ndirect\n0.915833 0.084167 0.500000 Sr\n0.077416 0.922584 0.500000 Sr\n0.577015 0.422985 0.000000 Sr\n0.502176 0.998766 0.250444 Li\n0.001234 0.497824 0.749556 Li\n0.001234 0.497824 0.250444 Li\n0.502176 0.998766 0.749556 Li\n0.842462 0.157538 0.000000 Nb\n0.342462 0.657538 0.500000 Nb\n0.656711 0.343289 0.500000 Nb\n0.156769 0.843231 0.000000 Nb\n0.496738 0.503262 0.500000 Nb\n0.996742 0.003258 0.000000 Nb\n0.925718 0.074282 0.000000 O\n0.425717 0.574283 0.500000 O\n0.576153 0.423847 0.500000 O\n0.076171 0.923829 0.000000 O\n0.092461 0.393278 0.257132 O\n0.606722 0.907539 0.742868 O\n0.606722 0.907539 0.257132 O\n0.092461 0.393278 0.742868 O\n0.399169 0.101277 0.249757 O\n0.898723 0.600831 0.750243 O\n0.898723 0.600831 0.249757 O\n0.399169 0.101277 0.750243 O\n0.247345 0.240083 0.256290 O\n0.759917 0.752655 0.743710 O\n0.759917 0.752655 0.256290 O\n0.247345 0.240083 0.743710 O\n0.771363 0.228637 0.000000 O\n0.271361 0.728639 0.500000 O\n0.727968 0.272032 0.500000 O\n0.228047 0.771953 0.000000 O\n",
"nsites": 33,
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"elements": [
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],
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"density": 4.547857913514841,
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"volume": 426.48498668553196,
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"formula_full": "Sr3 Li4 Nb6 O20",
"formula_reduced": "Sr3Li4Nb6O20",
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