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{
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{
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{
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{
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"created_at": "2022-09-04T14:47:22.957542Z",
"structure_string": "Tl8 Sn1 Te6 Pb1\n1.0\n-4.475901 4.475901 6.702428\n4.475901 -4.475901 6.702428\n4.475901 4.475901 -6.702428\nTl Sn Te Pb\n8 1 6 1\ndirect\n0.511917 0.304283 0.499272 Tl\n0.805011 0.012645 0.500728 Tl\n0.012645 0.511917 0.207634 Tl\n0.304283 0.805011 0.792366 Tl\n0.488083 0.695717 0.500728 Tl\n0.194990 0.987355 0.499272 Tl\n0.987355 0.488083 0.792366 Tl\n0.695717 0.194990 0.207634 Tl\n0.000000 0.000000 0.000000 Sn\n0.162081 0.332147 0.494229 Te\n0.837919 0.667853 0.505771 Te\n0.667853 0.162081 0.829934 Te\n0.332147 0.837919 0.170066 Te\n0.752831 0.752831 0.000000 Te\n0.247169 0.247169 0.000000 Te\n0.500000 0.500000 0.000000 Pb\n",
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{
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"structure_string": "Li4 V3 Ni3 Sb2 O16\n1.0\n2.964037 5.167427 0.000000\n-2.964037 5.167427 0.000000\n0.000000 0.095202 9.690383\nLi V Ni Sb O\n4 3 3 2 16\ndirect\n0.661596 0.661596 0.107808 Li\n0.997432 0.997432 0.015849 Li\n0.001158 0.001158 0.502686 Li\n0.331022 0.331022 0.593998 Li\n0.343289 0.832330 0.783236 V\n0.832330 0.343289 0.783236 V\n0.174480 0.174480 0.279514 V\n0.829870 0.829870 0.789234 Ni\n0.171453 0.657955 0.288021 Ni\n0.657955 0.171453 0.288021 Ni\n0.670783 0.670783 0.504512 Sb\n0.340472 0.340472 0.016020 Sb\n0.336341 0.834583 0.407181 O\n0.518439 0.518439 0.660398 O\n0.648708 0.648708 0.891734 O\n0.009847 0.009847 0.695691 O\n0.012483 0.012483 0.201930 O\n0.834583 0.336341 0.407181 O\n0.508997 0.959413 0.658275 O\n0.959413 0.508997 0.658275 O\n0.167354 0.167354 0.898092 O\n0.838010 0.838010 0.411413 O\n0.031963 0.472785 0.147845 O\n0.472785 0.031963 0.147845 O\n0.314695 0.314695 0.394178 O\n0.169481 0.672846 0.903538 O\n0.481843 0.481843 0.151784 O\n0.672846 0.169481 0.903538 O\n",
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{
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{
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{
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"structure_string": "Li8 Te2 O10\n1.0\n5.185593 0.000000 0.000000\n-1.081166 5.146139 0.000000\n-1.641823 -2.767296 7.177825\nLi Te O\n8 2 10\ndirect\n0.105673 0.484160 0.317350 Li\n0.894327 0.515840 0.682650 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.337829 0.505351 0.887926 Li\n0.662171 0.494649 0.112074 Li\n0.691400 0.010494 0.604097 Li\n0.308600 0.989506 0.395903 Li\n0.102757 0.001918 0.788435 Te\n0.897243 0.998082 0.211565 Te\n0.729388 0.763202 0.846829 O\n0.270612 0.236798 0.153171 O\n0.721584 0.229182 0.329375 O\n0.278416 0.770818 0.670625 O\n0.087812 0.787417 0.044257 O\n0.912188 0.212583 0.955743 O\n0.467527 0.240078 0.750575 O\n0.532473 0.759922 0.249425 O\n0.909289 0.754403 0.426514 O\n0.090711 0.245597 0.573486 O\n",
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{
"id": "mp-1175334",
"created_at": "2022-09-04T14:47:22.945192Z",
"structure_string": "Li7 Mn5 O12\n1.0\n5.291532 -0.044034 -2.818456\n0.628596 6.127269 -2.121212\n5.114385 0.014176 4.024614\nLi Mn O\n7 5 12\ndirect\n0.499991 0.333370 0.333349 Li\n0.258147 0.652166 0.172402 Li\n0.741911 0.014485 0.494317 Li\n0.237900 0.330282 0.840457 Li\n0.762113 0.336434 0.826220 Li\n0.745944 0.664741 0.164316 Li\n0.254092 0.001889 0.502327 Li\n0.986574 0.002038 0.009252 Mn\n0.013267 0.664622 0.657462 Mn\n0.999997 0.333333 0.333327 Mn\n0.498176 0.002756 0.004978 Mn\n0.501788 0.663997 0.661674 Mn\n0.375184 0.988053 0.765134 O\n0.624756 0.678631 0.901558 O\n0.887932 0.316573 0.090813 O\n0.112109 0.350044 0.575856 O\n0.367339 0.670456 0.436930 O\n0.632718 0.996227 0.229674 O\n0.891881 0.987233 0.755493 O\n0.108097 0.679371 0.911164 O\n0.342171 0.317051 0.102711 O\n0.657882 0.349572 0.563937 O\n0.903080 0.648280 0.413290 O\n0.096950 0.018395 0.253359 O\n",
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"volume": 219.53427974709905,
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"formula_full": "Li7 Mn5 O12",
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{
"id": "mp-1247342",
"created_at": "2022-09-04T14:47:22.980774Z",
"structure_string": "Li24 V8 N16\n1.0\n8.342453 0.000000 0.000000\n5.561636 7.865340 0.000000\n-5.561636 3.932670 6.811585\nLi V N\n24 8 16\ndirect\n0.221149 0.042497 0.988852 Li\n0.778851 0.763646 0.511148 Li\n0.778851 0.457503 0.767703 Li\n0.221149 0.736354 0.732297 Li\n0.243445 0.767703 0.274794 Li\n0.756555 0.732297 0.031349 Li\n0.243445 0.988852 0.468651 Li\n0.756555 0.511148 0.225206 Li\n0.693857 0.031349 0.736354 Li\n0.693857 0.274794 0.457503 Li\n0.306143 0.225206 0.763646 Li\n0.306143 0.468651 0.042497 Li\n0.778851 0.957503 0.011148 Li\n0.221149 0.236354 0.488852 Li\n0.221149 0.542497 0.232297 Li\n0.778851 0.263646 0.267703 Li\n0.756555 0.232297 0.725206 Li\n0.243445 0.267703 0.968651 Li\n0.756555 0.011148 0.531349 Li\n0.243445 0.488852 0.774794 Li\n0.306143 0.968651 0.263646 Li\n0.306143 0.725206 0.542497 Li\n0.693857 0.774794 0.236354 Li\n0.693857 0.531349 0.957503 Li\n0.230310 0.000000 0.730310 V\n0.769690 0.730310 0.769690 V\n0.769690 0.500000 0.500000 V\n0.230310 0.769690 0.000000 V\n0.769690 0.000000 0.269690 V\n0.230310 0.269690 0.230310 V\n0.230310 0.500000 0.500000 V\n0.769690 0.230310 0.000000 V\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.970792 0.750000 N\n0.500000 0.529208 0.250000 N\n0.000000 0.250000 0.720792 N\n0.000000 0.750000 0.779208 N\n0.558417 0.720792 0.529208 N\n0.441583 0.779208 0.970792 N\n0.500000 0.029208 0.250000 N\n0.500000 0.470792 0.750000 N\n0.000000 0.750000 0.279208 N\n0.000000 0.250000 0.220792 N\n0.441583 0.279208 0.470792 N\n0.558417 0.220792 0.029208 N\n",
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"elements": [
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"V",
"N"
],
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"density": 2.9656097015681735,
"density_atomic": 0.10739443745500918,
"volume": 446.95052311353345,
"volume_molar": 5.607497839469441,
"formula_full": "Li24 V8 N16",
"formula_reduced": "Li3VN2",
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"updated_at": "2021-11-28T01:38:08.548000Z",
"spacegroup": 206
},
{
"id": "mp-19011",
"created_at": "2022-09-04T14:47:23.038939Z",
"structure_string": "Ba4 Ni2 Te2 O12\n1.0\n-3.069365 5.016014 0.000002\n-5.633380 0.000003 1.687246\n2.561659 5.014571 8.552811\nBa Ni Te O\n4 2 2 12\ndirect\n0.568848 0.715576 0.146728 Ba\n0.431153 0.284423 0.853271 Ba\n0.252092 0.873954 0.621862 Ba\n0.747907 0.126047 0.378138 Ba\n0.187123 0.406437 0.219314 Ni\n0.812876 0.593563 0.780692 Ni\n0.999998 0.500001 0.500003 Te\n0.000003 0.999999 0.999997 Te\n0.077467 0.727397 0.117668 O\n0.609728 0.195136 0.117668 O\n0.077467 0.195135 0.117668 O\n0.922538 0.804871 0.882333 O\n0.922538 0.272592 0.882333 O\n0.390261 0.804870 0.882333 O\n0.765560 0.845890 0.622991 O\n0.222900 0.388550 0.622991 O\n0.777109 0.611445 0.377006 O\n0.234435 0.154120 0.377007 O\n0.234435 0.611444 0.377007 O\n0.765561 0.388550 0.622991 O\n",
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"elements": [
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"Te",
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],
"chemical_system": "Ba-Ni-O-Te",
"density": 6.392955090528779,
"density_atomic": 0.06912596107691184,
"volume": 289.3268995963374,
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"formula_full": "Ba4 Ni2 Te2 O12",
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"updated_at": "2021-11-28T01:38:03.629000Z",
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]
}