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{
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{
"id": "mp-1211873",
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"structure_string": "K6 Ti4 P10 S36\n1.0\n3.124668 11.589783 0.000000\n-3.124668 11.589783 0.000000\n0.000000 5.722859 20.059020\nK Ti P S\n6 4 10 36\ndirect\n0.730069 0.958368 0.673232 K\n0.269931 0.041632 0.326768 K\n0.041632 0.269931 0.826768 K\n0.958368 0.730069 0.173232 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.623635 0.141801 0.871157 Ti\n0.376365 0.858199 0.128843 Ti\n0.858199 0.376365 0.628843 Ti\n0.141801 0.623635 0.371157 Ti\n0.651861 0.860637 0.858708 P\n0.348139 0.139363 0.141292 P\n0.139363 0.348139 0.641292 P\n0.860637 0.651861 0.358708 P\n0.746085 0.253915 0.750000 P\n0.253915 0.746085 0.250000 P\n0.303058 0.451441 0.516175 P\n0.696942 0.548559 0.483825 P\n0.548559 0.696942 0.983825 P\n0.451441 0.303058 0.016175 P\n0.357299 0.221776 0.552711 S\n0.642701 0.778224 0.447289 S\n0.778224 0.642701 0.947289 S\n0.221776 0.357299 0.052711 S\n0.487604 0.360228 0.763549 S\n0.512396 0.639772 0.236451 S\n0.639772 0.512396 0.736451 S\n0.360228 0.487604 0.263549 S\n0.600640 0.821090 0.791580 S\n0.399360 0.178910 0.208420 S\n0.178910 0.399360 0.708420 S\n0.821090 0.600640 0.291580 S\n0.514125 0.676152 0.574124 S\n0.485875 0.323848 0.425876 S\n0.323848 0.485875 0.925876 S\n0.676152 0.514125 0.074124 S\n0.221385 0.105184 0.663727 S\n0.778615 0.894816 0.336273 S\n0.894816 0.778615 0.836273 S\n0.105184 0.221385 0.163727 S\n0.750759 0.984118 0.986341 S\n0.249241 0.015882 0.013659 S\n0.015882 0.249241 0.513659 S\n0.984118 0.750759 0.486341 S\n0.384367 0.181948 0.884072 S\n0.615633 0.818052 0.115928 S\n0.818052 0.615633 0.615928 S\n0.181948 0.384367 0.384072 S\n0.910973 0.050409 0.834862 S\n0.089027 0.949591 0.165138 S\n0.949591 0.089027 0.665138 S\n0.050409 0.910973 0.334862 S\n0.390822 0.465929 0.577088 S\n0.609178 0.534071 0.422912 S\n0.534071 0.609178 0.922912 S\n0.465929 0.390822 0.077088 S\n",
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"formula_full": "K6 Ti4 P10 S36",
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"updated_at": "2021-11-28T01:35:04.935000Z",
"spacegroup": 15
},
{
"id": "mp-1235163",
"created_at": "2022-09-04T14:40:34.324866Z",
"structure_string": "Li1 Mn2 P4 O14\n1.0\n5.202686 0.120458 -0.309777\n-1.673101 6.057565 -0.117019\n-1.424805 -3.758067 8.889056\nLi Mn P O\n1 2 4 14\ndirect\n0.354786 0.242148 0.808283 Li\n0.104239 0.586030 0.346583 Mn\n0.905864 0.400108 0.636177 Mn\n0.256567 0.133279 0.373384 P\n0.587856 0.705888 0.852560 P\n0.416020 0.290416 0.144087 P\n0.747466 0.846074 0.609366 P\n0.069266 0.886852 0.348834 O\n0.095905 0.314092 0.408773 O\n0.274771 0.546309 0.782898 O\n0.219502 0.436981 0.157472 O\n0.369501 0.144048 0.974385 O\n0.493025 0.755594 0.469765 O\n0.641930 0.865628 0.754194 O\n0.321373 0.097921 0.216504 O\n0.529274 0.228194 0.506338 O\n0.672196 0.882147 0.019210 O\n0.747775 0.528293 0.824563 O\n0.716308 0.446479 0.242323 O\n0.931522 0.684910 0.592387 O\n0.944854 0.103609 0.654136 O\n",
"nsites": 21,
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"elements": [
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"formula_full": "Li1 Mn2 P4 O14",
"formula_reduced": "LiMn2(P2O7)2",
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},
{
"id": "mp-754425",
"created_at": "2022-09-04T14:40:33.638543Z",
"structure_string": "Li2 Mn1 Cr3 O8\n1.0\n-0.003177 3.082219 -5.031511\n-5.214108 -1.564195 2.498889\n-1.693062 2.569187 5.027779\nLi Mn Cr O\n2 1 3 8\ndirect\n0.999983 0.500009 0.500000 Li\n0.999985 0.500010 0.999977 Li\n0.999973 0.999992 0.999962 Mn\n0.500109 0.000092 0.499980 Cr\n0.000025 0.999862 0.500019 Cr\n0.499941 0.000023 0.000051 Cr\n0.778046 0.796142 0.741786 O\n0.248510 0.789570 0.729468 O\n0.778038 0.796139 0.240118 O\n0.247861 0.789553 0.229156 O\n0.752116 0.210413 0.770859 O\n0.221968 0.203879 0.759904 O\n0.751470 0.210434 0.270522 O\n0.221977 0.203883 0.258200 O\n",
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"chemical_system": "Cr-Li-Mn-O",
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"formula_full": "Li2 Mn1 Cr3 O8",
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"spacegroup": 12
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{
"id": "mp-758372",
"created_at": "2022-09-04T14:40:30.780010Z",
"structure_string": "Li8 Co4 Si4 O16\n1.0\n7.359907 -0.000009 -0.000019\n-3.679966 -3.819675 6.304722\n0.000010 -7.639136 0.000139\nLi Co Si O\n8 4 4 16\ndirect\n0.568651 0.499990 0.750032 Li\n0.068686 0.499991 0.250004 Li\n0.681352 0.000017 0.999928 Li\n0.181349 0.000010 0.500056 Li\n0.875017 0.750028 0.937956 Li\n0.374978 0.749965 0.438049 Li\n0.624980 0.249955 0.562036 Li\n0.125024 0.250055 0.061944 Li\n0.624990 0.250004 0.196386 Co\n0.874989 0.750001 0.303623 Co\n0.125007 0.249981 0.696320 Co\n0.375006 0.750007 0.803747 Co\n0.324024 0.999926 0.999971 Si\n0.824093 0.000092 0.499999 Si\n0.925909 0.499972 0.750032 Si\n0.425946 0.500005 0.249969 Si\n0.304800 0.215896 0.893460 O\n0.804892 0.216075 0.393546 O\n0.588863 0.784146 0.606537 O\n0.088868 0.783937 0.106364 O\n0.161175 0.715898 0.640635 O\n0.661087 0.716008 0.140291 O\n0.945294 0.284079 0.859434 O\n0.445089 0.283982 0.359581 O\n0.463134 0.000986 0.170367 O\n0.963069 0.001027 0.670516 O\n0.962185 0.999076 0.329627 O\n0.462137 0.999012 0.829490 O\n0.786879 0.499081 0.921390 O\n0.286949 0.499034 0.421431 O\n0.787758 0.500861 0.578699 O\n0.287818 0.500905 0.078581 O\n",
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"elements": [
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"volume": 354.46802708464855,
"volume_molar": 6.670801106322644,
"formula_full": "Li8 Co4 Si4 O16",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy": -224.72091598,
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"updated_at": "2021-11-28T01:34:53.354000Z",
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},
{
"id": "mp-1218423",
"created_at": "2022-09-04T14:40:33.954558Z",
"structure_string": "Sr4 Hf1 Ti3 O12\n1.0\n3.994123 -7.980373 0.000000\n3.994123 7.980373 0.000000\n0.000000 0.000000 4.008481\nSr Hf Ti O\n4 1 3 12\ndirect\n0.614262 0.870819 0.500000 Sr\n0.870819 0.614262 0.500000 Sr\n0.129181 0.385738 0.500000 Sr\n0.385738 0.129181 0.500000 Sr\n0.000000 0.000000 0.000000 Hf\n0.250598 0.749402 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.749402 0.250598 0.000000 Ti\n0.374953 0.625047 0.000000 O\n0.625047 0.374953 0.000000 O\n0.870008 0.129992 0.000000 O\n0.129992 0.870008 0.000000 O\n0.500000 0.000000 0.000000 O\n0.741915 0.741915 0.000000 O\n0.000000 0.500000 0.000000 O\n0.258085 0.258085 0.000000 O\n0.252748 0.747252 0.500000 O\n0.500000 0.500000 0.500000 O\n0.747252 0.252748 0.500000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 20,
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"formula_full": "Sr4 Hf1 Ti3 O12",
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"spacegroup": 65
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{
"id": "mp-757610",
"created_at": "2022-09-04T14:40:37.763593Z",
"structure_string": "Li4 P4 W8 O32\n1.0\n5.405019 0.000000 0.000000\n0.000000 6.802696 0.000000\n0.000000 0.191534 17.980976\nLi P W O\n4 4 8 32\ndirect\n0.793172 0.758090 0.797196 Li\n0.782043 0.752088 0.294523 Li\n0.282043 0.247912 0.705477 Li\n0.293172 0.241910 0.202804 Li\n0.221639 0.803835 0.692506 P\n0.221404 0.698905 0.189893 P\n0.721404 0.301095 0.810107 P\n0.721639 0.196165 0.307494 P\n0.236385 0.004523 0.875216 W\n0.731197 0.839561 0.453484 W\n0.729120 0.660048 0.953429 W\n0.226294 0.497026 0.372595 W\n0.726294 0.502974 0.627405 W\n0.229120 0.339952 0.046571 W\n0.231197 0.160439 0.546516 W\n0.736385 0.995477 0.124784 W\n0.236807 0.996447 0.646822 O\n0.973928 0.995486 0.495775 O\n0.190342 0.864650 0.774754 O\n0.529535 0.848483 0.888960 O\n0.407705 0.850378 0.161455 O\n0.735513 0.837351 0.042678 O\n0.013707 0.796580 0.912115 O\n0.951705 0.784854 0.189356 O\n0.979510 0.693406 0.676996 O\n0.483418 0.676495 0.407612 O\n0.726755 0.661538 0.544436 O\n0.454924 0.677084 0.684642 O\n0.967336 0.679399 0.392740 O\n0.281561 0.648352 0.271838 O\n0.456802 0.524459 0.990264 O\n0.234397 0.503020 0.146772 O\n0.734397 0.496980 0.853228 O\n0.956802 0.475541 0.009736 O\n0.781561 0.351648 0.728162 O\n0.467336 0.320601 0.607260 O\n0.954924 0.322916 0.315358 O\n0.226755 0.338462 0.455564 O\n0.983418 0.323505 0.592388 O\n0.479510 0.306594 0.323004 O\n0.451705 0.215146 0.810644 O\n0.513707 0.203420 0.087885 O\n0.235513 0.162649 0.957322 O\n0.907705 0.149622 0.838545 O\n0.029535 0.151517 0.111040 O\n0.690342 0.135350 0.225246 O\n0.473928 0.004514 0.504225 O\n0.736807 0.003553 0.353178 O\n",
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{
"id": "mp-759335",
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"structure_string": "Li10 V6 P16 O58\n1.0\n9.790742 0.000000 0.000000\n4.867872 8.505962 0.000000\n0.154369 0.036886 14.102824\nLi V P O\n10 6 16 58\ndirect\n0.090641 0.679273 0.563450 Li\n0.318966 0.326850 0.888758 Li\n0.232946 0.678276 0.058927 Li\n0.678885 0.089625 0.060773 Li\n0.313785 0.776892 0.443151 Li\n0.682022 0.228900 0.563342 Li\n0.330515 0.904647 0.937174 Li\n0.914876 0.310232 0.439913 Li\n0.772117 0.908198 0.443129 Li\n0.964053 0.063381 0.994578 Li\n0.433813 0.565653 0.249825 V\n0.572828 0.436047 0.753135 V\n0.431616 0.002438 0.744781 V\n0.565624 0.999207 0.250298 V\n0.003724 0.431581 0.241383 V\n0.996213 0.565076 0.756798 V\n0.085045 0.217446 0.840279 P\n0.225555 0.086912 0.335716 P\n0.085961 0.677976 0.344906 P\n0.336256 0.335802 0.126148 P\n0.337015 0.338477 0.631216 P\n0.226969 0.681477 0.841281 P\n0.317779 0.769764 0.658592 P\n0.681776 0.092108 0.842834 P\n0.316645 0.912524 0.153711 P\n0.676724 0.233388 0.344388 P\n0.777047 0.307810 0.161349 P\n0.671508 0.661975 0.367203 P\n0.660680 0.673381 0.871955 P\n0.916411 0.317196 0.656341 P\n0.771132 0.910149 0.660912 P\n0.917629 0.777325 0.160936 P\n0.987117 0.243596 0.563798 O\n0.082033 0.256787 0.336197 O\n0.236136 0.977828 0.061509 O\n0.254896 0.077127 0.838774 O\n0.098949 0.369798 0.832387 O\n0.188749 0.330030 0.171886 O\n0.095890 0.519782 0.320629 O\n0.009973 0.787007 0.079408 O\n0.087421 0.652714 0.843265 O\n0.342043 0.187328 0.676786 O\n0.379705 0.095108 0.319428 O\n0.187345 0.483527 0.674131 O\n0.326415 0.340414 0.019947 O\n0.343032 0.336918 0.525820 O\n0.323088 0.490882 0.163696 O\n0.519461 0.103094 0.834218 O\n0.488399 0.189356 0.162301 O\n0.250636 0.662728 0.342811 O\n0.206457 0.787523 0.748998 O\n0.243876 0.752258 0.569943 O\n0.236403 0.765131 0.927982 O\n0.379310 0.517858 0.828027 O\n0.488456 0.335683 0.672435 O\n0.340056 0.743195 0.167219 O\n0.516422 0.379470 0.320727 O\n0.662254 0.083497 0.342694 O\n0.200827 0.012565 0.239768 O\n0.231627 0.993211 0.419915 O\n0.758851 0.001354 0.571497 O\n0.342003 0.910832 0.659190 O\n0.475750 0.617599 0.679505 O\n0.655313 0.262617 0.832693 O\n0.518625 0.666961 0.329401 O\n0.620478 0.460897 0.167189 O\n0.796812 0.198884 0.082118 O\n0.745336 0.252096 0.434916 O\n0.796718 0.212438 0.259731 O\n0.745613 0.339715 0.665320 O\n0.512870 0.821322 0.830412 O\n0.472727 0.908838 0.169240 O\n0.661538 0.524319 0.824464 O\n0.650025 0.667853 0.976752 O\n0.681326 0.650316 0.472681 O\n0.818628 0.514961 0.319642 O\n0.625064 0.893644 0.676742 O\n0.673603 0.813513 0.330400 O\n0.917578 0.340863 0.163946 O\n0.010320 0.201348 0.741976 O\n0.992497 0.209213 0.921765 O\n0.908520 0.475121 0.675821 O\n0.811091 0.668882 0.829841 O\n0.917487 0.618328 0.169880 O\n0.745576 0.916038 0.161652 O\n0.769473 0.021237 0.932580 O\n0.787289 0.002911 0.751484 O\n0.921951 0.748597 0.663185 O\n0.998519 0.748246 0.436063 O\n0.988299 0.797009 0.259869 O\n",
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"formula_full": "Li10 V6 P16 O58",
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