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{
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"results": [
{
"id": "mp-1202763",
"created_at": "2022-09-04T14:40:32.269698Z",
"structure_string": "Mg4 W4 O24\n1.0\n10.461529 0.000000 0.000000\n0.000000 5.749099 0.000000\n0.000000 0.392774 8.602231\nMg W O\n4 4 24\ndirect\n0.500116 0.466253 0.182303 Mg\n0.000116 0.533747 0.317697 Mg\n0.499884 0.533747 0.817697 Mg\n0.999884 0.466253 0.682303 Mg\n0.214017 0.696908 0.991418 W\n0.714017 0.303092 0.508582 W\n0.785983 0.303092 0.008582 W\n0.285983 0.696908 0.491418 W\n0.357669 0.656094 0.683093 O\n0.857669 0.343906 0.816907 O\n0.642331 0.343906 0.316907 O\n0.142331 0.656094 0.183093 O\n0.389426 0.562957 0.352388 O\n0.889426 0.437043 0.147612 O\n0.610574 0.437043 0.647612 O\n0.110574 0.562957 0.852388 O\n0.720950 0.000306 0.551912 O\n0.220950 0.999694 0.948088 O\n0.279050 0.999694 0.448088 O\n0.779050 0.000306 0.051912 O\n0.380674 0.573450 0.005223 O\n0.880674 0.426550 0.494777 O\n0.619326 0.426550 0.994777 O\n0.119326 0.573450 0.505223 O\n0.952985 0.945507 0.315731 O\n0.452985 0.054493 0.184269 O\n0.047015 0.054493 0.684269 O\n0.547015 0.945507 0.815731 O\n0.537726 0.904968 0.196026 O\n0.037726 0.095032 0.303974 O\n0.462274 0.095032 0.803974 O\n0.962274 0.904968 0.696026 O\n",
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{
"id": "mp-1100678",
"created_at": "2022-09-04T14:40:32.191115Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.899823 5.181615 0.000000\n-2.899823 5.181615 0.000000\n0.000000 1.596425 9.575990\nLi Mn Co O\n9 2 5 16\ndirect\n0.503278 0.503278 0.006340 Li\n0.002254 0.002254 0.002920 Li\n0.120960 0.618209 0.263933 Li\n0.618209 0.120960 0.263933 Li\n0.749496 0.749496 0.494382 Li\n0.251063 0.251063 0.498212 Li\n0.375004 0.876731 0.737936 Li\n0.876731 0.375004 0.737936 Li\n0.621174 0.621174 0.252829 Li\n0.000631 0.501223 0.003980 Mn\n0.501223 0.000631 0.003980 Mn\n0.122944 0.122944 0.252352 Co\n0.255503 0.751680 0.489456 Co\n0.751680 0.255503 0.489456 Co\n0.880024 0.880024 0.743517 Co\n0.378095 0.378095 0.744412 Co\n0.693579 0.693579 0.892519 O\n0.199384 0.199384 0.886079 O\n0.320734 0.850039 0.122147 O\n0.850039 0.320734 0.122147 O\n0.933615 0.933615 0.376631 O\n0.435328 0.435328 0.383561 O\n0.571554 0.067745 0.630508 O\n0.067745 0.571554 0.630508 O\n0.314304 0.314304 0.109997 O\n0.809365 0.809365 0.110414 O\n0.939468 0.404967 0.375070 O\n0.404967 0.939468 0.375070 O\n0.554402 0.554402 0.622782 O\n0.053746 0.053746 0.625143 O\n0.170035 0.673469 0.875927 O\n0.673469 0.170035 0.875927 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 4.171939134884035,
"density_atomic": 0.11119868907532728,
"volume": 287.77317669925793,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.83305102,
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"spacegroup": 8
},
{
"id": "mp-625994",
"created_at": "2022-09-04T14:40:37.443455Z",
"structure_string": "H16 N8 O12\n1.0\n6.845349 0.000000 0.000000\n0.000000 8.374044 0.000000\n0.000000 0.000000 8.728018\nH N O\n16 8 12\ndirect\n0.985683 0.438129 0.231187 H\n0.477423 0.939122 0.844122 H\n0.592158 0.091442 0.877072 H\n0.485683 0.561871 0.768813 H\n0.977423 0.060878 0.155878 H\n0.092158 0.908558 0.122928 H\n0.977423 0.439122 0.655878 H\n0.092158 0.591442 0.622928 H\n0.485683 0.938129 0.268813 H\n0.477423 0.560878 0.344122 H\n0.592158 0.408558 0.377072 H\n0.985683 0.061871 0.731187 H\n0.197633 0.944196 0.448195 H\n0.197633 0.555804 0.948195 H\n0.697633 0.055804 0.551805 H\n0.697633 0.444196 0.051805 H\n0.156131 0.288902 0.330441 N\n0.156131 0.211098 0.830441 N\n0.656131 0.711098 0.669559 N\n0.656131 0.788902 0.169559 N\n0.740316 0.173425 0.527902 N\n0.740316 0.326575 0.027902 N\n0.240316 0.826575 0.472098 N\n0.240316 0.673425 0.972098 N\n0.019614 0.421393 0.339308 O\n0.528519 0.034144 0.793633 O\n0.519614 0.578607 0.660692 O\n0.028519 0.965856 0.206367 O\n0.028519 0.534144 0.706367 O\n0.519614 0.921393 0.160692 O\n0.528519 0.465856 0.293633 O\n0.019614 0.078607 0.839308 O\n0.205467 0.249021 0.455265 O\n0.205467 0.250979 0.955265 O\n0.705467 0.750979 0.544735 O\n0.705467 0.749021 0.044735 O\n",
"nsites": 36,
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"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.0626443391186275,
"density_atomic": 0.071954180973674,
"volume": 500.3183902985622,
"volume_molar": 8.369410475540445,
"formula_full": "H16 N8 O12",
"formula_reduced": "H4N2O3",
"formula_anonymous": "A2B3C4",
"energy": -190.22656243,
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"updated_at": "2021-11-28T01:34:58.977000Z",
"spacegroup": 33
},
{
"id": "mp-1202945",
"created_at": "2022-09-04T14:40:37.518662Z",
"structure_string": "K4 Na2 Ca4 Ti2 Si14 O40\n1.0\n0.010598 0.004138 7.162541\n10.361721 -0.054346 -1.689017\n-0.645461 12.322318 -0.209530\nK Na Ca Ti Si O\n4 2 4 2 14 40\ndirect\n0.929464 0.651367 0.994099 K\n0.380512 0.538437 0.755897 K\n0.365254 0.324241 0.197123 K\n0.841167 0.422720 0.445868 K\n0.501115 0.997386 0.989492 Na\n0.726818 0.965372 0.213203 Na\n0.025539 0.102536 0.692384 Ca\n0.522010 0.105473 0.681001 Ca\n0.203637 0.859880 0.510261 Ca\n0.706336 0.855982 0.521598 Ca\n0.018082 0.993815 0.000555 Ti\n0.210809 0.971352 0.204717 Ti\n0.542721 0.291507 0.911614 Si\n0.116386 0.297863 0.921099 Si\n0.984132 0.111741 0.409981 Si\n0.537555 0.108403 0.402577 Si\n0.242149 0.851765 0.794030 Si\n0.690077 0.855930 0.799702 Si\n0.113459 0.667188 0.284115 Si\n0.683427 0.671161 0.289064 Si\n0.310121 0.296757 0.515947 Si\n0.835318 0.261708 0.092600 Si\n0.397573 0.703548 0.111602 Si\n0.382322 0.583941 0.450951 Si\n0.916917 0.666294 0.686485 Si\n0.844343 0.378378 0.751096 Si\n0.829731 0.309694 0.220561 O\n0.108275 0.255907 0.446014 O\n0.479040 0.252577 0.438392 O\n0.352900 0.456264 0.524867 O\n0.058725 0.061629 0.294221 O\n0.703087 0.814203 0.340531 O\n0.385276 0.660449 0.981990 O\n0.824761 0.106056 0.076976 O\n0.030798 0.337468 0.039629 O\n0.651369 0.309296 0.032760 O\n0.583168 0.653135 0.165491 O\n0.205779 0.627014 0.167957 O\n0.884720 0.615860 0.272444 O\n0.554866 0.564044 0.365452 O\n0.184869 0.575764 0.376859 O\n0.768179 0.140390 0.387703 O\n0.037643 0.388811 0.829925 O\n0.056135 0.146336 0.887794 O\n0.345071 0.351257 0.931289 O\n0.169142 0.900985 0.910580 O\n0.787754 0.905131 0.917410 O\n0.745568 0.711425 0.761370 O\n0.233601 0.948054 0.696571 O\n0.737762 0.953755 0.702984 O\n0.808751 0.248617 0.674821 O\n0.302828 0.239111 0.633557 O\n0.927802 0.723676 0.568946 O\n0.421318 0.713755 0.527475 O\n0.489198 0.010944 0.499246 O\n0.116129 0.706912 0.759771 O\n0.459542 0.825682 0.814821 O\n0.875458 0.506671 0.677686 O\n0.443051 0.059264 0.284069 O\n0.989836 0.013426 0.506133 O\n0.514288 0.147426 0.861963 O\n0.995902 0.883622 0.114281 O\n0.233783 0.080105 0.089875 O\n0.667112 0.396568 0.832861 O\n0.175848 0.818775 0.316883 O\n0.407692 0.859195 0.127784 O\n",
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],
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"density": 2.7084183119269634,
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"volume": 914.4991903169075,
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"formula_full": "K4 Na2 Ca4 Ti2 Si14 O40",
"formula_reduced": "K2NaCa2TiSi7O20",
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"updated_at": "2021-11-28T01:35:03.954000Z",
"spacegroup": 1
},
{
"id": "mp-1218147",
"created_at": "2022-09-04T14:40:37.611463Z",
"structure_string": "Sr2 La2 Ti2 Fe2 O12\n1.0\n3.949041 -0.000161 3.949009\n-0.000166 3.949057 3.949014\n-3.948936 -3.948936 7.898073\nSr La Ti Fe O\n2 2 2 2 12\ndirect\n0.875005 0.875003 0.375004 Sr\n0.375001 0.375004 0.875009 Sr\n0.625005 0.625001 0.124994 La\n0.125004 0.125001 0.624997 La\n0.249996 0.249997 0.249999 Ti\n0.749998 0.749999 0.749997 Ti\n0.500002 0.500002 0.500002 Fe\n0.000001 0.000000 0.000001 Fe\n0.126420 0.126420 0.126411 O\n0.626417 0.626418 0.626415 O\n0.373581 0.373582 0.373586 O\n0.873578 0.873579 0.873589 O\n0.373590 0.879230 0.373586 O\n0.873588 0.379234 0.873589 O\n0.126412 0.620764 0.126411 O\n0.626407 0.120770 0.626413 O\n0.879229 0.373591 0.373585 O\n0.379233 0.873588 0.873589 O\n0.620763 0.126412 0.126410 O\n0.120769 0.626408 0.626413 O\n",
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"volume": 246.34150235748143,
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"formula_full": "Sr2 La2 Ti2 Fe2 O12",
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{
"id": "mp-1225838",
"created_at": "2022-09-04T14:40:32.197072Z",
"structure_string": "K8 Gd3 Si12 Cl1 O34\n1.0\n6.933941 0.000000 0.000000\n1.977136 11.407107 0.000000\n0.213647 0.347914 11.759172\nK Gd Si Cl O\n8 3 12 1 34\ndirect\n0.164784 0.811230 0.762183 K\n0.836597 0.188762 0.235445 K\n0.260695 0.602248 0.014336 K\n0.743872 0.391086 0.986339 K\n0.019070 0.332526 0.502218 K\n0.980669 0.667332 0.497656 K\n0.171968 0.838228 0.228999 K\n0.828271 0.162307 0.774632 K\n0.491559 0.490218 0.334940 Gd\n0.508671 0.509497 0.665081 Gd\n0.999750 0.000431 0.500274 Gd\n0.990646 0.489550 0.248431 Si\n0.009516 0.510911 0.751486 Si\n0.686754 0.695553 0.151786 Si\n0.313236 0.305136 0.848318 Si\n0.657471 0.868211 0.687275 Si\n0.342943 0.132184 0.313338 Si\n0.696972 0.675861 0.876781 Si\n0.302931 0.324468 0.123382 Si\n0.663004 0.902866 0.306714 Si\n0.337756 0.097297 0.693486 Si\n0.446948 0.764869 0.491710 Si\n0.553499 0.235173 0.508484 Si\n0.392312 0.973875 0.004165 Cl\n0.465294 0.001356 0.285677 O\n0.535638 0.998995 0.715402 O\n0.228608 0.832400 0.465441 O\n0.771622 0.167459 0.534959 O\n0.904519 0.618227 0.183325 O\n0.095787 0.382675 0.816888 O\n0.701821 0.829454 0.188242 O\n0.299371 0.171470 0.811315 O\n0.819851 0.431285 0.309756 O\n0.180138 0.569622 0.690290 O\n0.615257 0.808233 0.406574 O\n0.384785 0.191361 0.593095 O\n0.854948 0.876107 0.617588 O\n0.145664 0.123603 0.382907 O\n0.710815 0.802185 0.812070 O\n0.289895 0.198614 0.188742 O\n0.502724 0.646220 0.207972 O\n0.495932 0.355237 0.791634 O\n0.917119 0.592839 0.862147 O\n0.083431 0.408366 0.137516 O\n0.671834 0.698702 0.012981 O\n0.329322 0.301347 0.987272 O\n0.523346 0.613380 0.834385 O\n0.474809 0.388520 0.165816 O\n0.225513 0.893290 0.995350 O\n0.830959 0.142403 0.007195 O\n0.473025 0.622433 0.487809 O\n0.527471 0.377547 0.512388 O\n0.852008 0.957672 0.336520 O\n0.149422 0.041403 0.664267 O\n0.159944 0.508699 0.334854 O\n0.840064 0.492038 0.665103 O\n0.510814 0.791619 0.624316 O\n0.489357 0.208923 0.375945 O\n",
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"formula_full": "K8 Gd3 Si12 Cl1 O34",
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"spacegroup": 1
},
{
"id": "mp-752914",
"created_at": "2022-09-04T14:40:32.394171Z",
"structure_string": "Li2 Co4 O8\n1.0\n2.825068 4.967457 0.000000\n-2.825068 4.967457 0.000000\n0.000000 0.024326 4.896555\nLi Co O\n2 4 8\ndirect\n0.649517 0.350483 0.750000 Li\n0.350483 0.649517 0.250000 Li\n0.368329 0.116302 0.745622 Co\n0.631671 0.883698 0.254378 Co\n0.116302 0.368329 0.245622 Co\n0.883698 0.631671 0.754378 Co\n0.283983 0.017389 0.407086 O\n0.464520 0.230632 0.072816 O\n0.716017 0.982611 0.592914 O\n0.230632 0.464520 0.572816 O\n0.017389 0.283983 0.907086 O\n0.535480 0.769368 0.927184 O\n0.769368 0.535480 0.427184 O\n0.982611 0.716017 0.092914 O\n",
"nsites": 14,
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"formula_full": "Li2 Co4 O8",
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{
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{
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{
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}