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{
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{
"id": "mp-774610",
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{
"id": "mp-608543",
"created_at": "2022-09-04T14:48:17.727926Z",
"structure_string": "Sc8 Cr4 C12\n1.0\n3.278120 0.000000 0.000000\n0.000000 5.796820 0.000000\n0.000000 0.000000 14.109911\nSc Cr C\n8 4 12\ndirect\n0.000000 0.379300 0.812201 Sc\n0.000000 0.620700 0.187799 Sc\n0.000000 0.879300 0.687799 Sc\n0.000000 0.120700 0.312201 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.800102 0.846637 Cr\n0.500000 0.199898 0.153363 Cr\n0.500000 0.300102 0.653363 Cr\n0.500000 0.699898 0.346637 Cr\n0.000000 0.317801 0.092263 C\n0.000000 0.182199 0.592263 C\n0.000000 0.682199 0.907737 C\n0.500000 0.608178 0.721134 C\n0.000000 0.817801 0.407737 C\n0.500000 0.108178 0.778866 C\n0.500000 0.360888 0.382370 C\n0.500000 0.139112 0.882370 C\n0.500000 0.860888 0.117630 C\n0.500000 0.891822 0.221134 C\n0.500000 0.391822 0.278866 C\n0.500000 0.639112 0.617630 C\n",
"nsites": 24,
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"density": 4.408022439412056,
"density_atomic": 0.08951015409288111,
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"formula_full": "Sc8 Cr4 C12",
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"updated_at": "2021-11-28T01:38:58.032000Z",
"spacegroup": 55
},
{
"id": "mp-753664",
"created_at": "2022-09-04T14:45:06.967572Z",
"structure_string": "V4 P2 O13\n1.0\n4.969688 0.000000 0.000000\n-0.816558 -4.935733 0.000000\n-1.527844 0.038954 -8.653604\nV P O\n4 2 13\ndirect\n0.749459 0.044036 0.314090 V\n0.925584 0.823184 0.642586 V\n0.430960 0.538448 0.060150 V\n0.585197 0.253739 0.703516 V\n0.986976 0.989659 0.998139 P\n0.246280 0.567775 0.413279 P\n0.010909 0.734080 0.435467 O\n0.796864 0.852476 0.113953 O\n0.929064 0.505212 0.723230 O\n0.714690 0.075307 0.532594 O\n0.594635 0.282439 0.212230 O\n0.804279 0.981158 0.830126 O\n0.412476 0.719797 0.291271 O\n0.452096 0.557991 0.568056 O\n0.529565 0.435337 0.900563 O\n0.266928 0.043191 0.688348 O\n0.081385 0.287894 0.043653 O\n0.118365 0.280747 0.358879 O\n0.223810 0.835310 0.990681 O\n",
"nsites": 19,
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"chemical_system": "O-P-V",
"density": 3.7057825321999247,
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"formula_full": "V4 P2 O13",
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"spacegroup": 1
},
{
"id": "mp-1185357",
"created_at": "2022-09-04T14:48:11.621421Z",
"structure_string": "Li1 La1 O3\n1.0\n3.822632 0.000000 0.000000\n0.000000 3.822632 0.000000\n0.000000 0.000000 3.822632\nLi La O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Li1 La1 O3",
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"updated_at": "2021-11-28T01:38:36.047000Z",
"spacegroup": 221
},
{
"id": "mp-756151",
"created_at": "2022-09-04T14:48:00.756700Z",
"structure_string": "Li4 Cr5 W1 O12\n1.0\n4.577169 2.605284 0.000000\n-4.577169 2.605284 0.000000\n0.000000 1.060910 10.305220\nLi Cr W O\n4 5 1 12\ndirect\n0.876688 0.539720 0.290773 Li\n0.460280 0.123312 0.709227 Li\n0.539720 0.876688 0.290773 Li\n0.123312 0.460280 0.709227 Li\n0.836448 0.163552 0.500000 Cr\n0.666733 0.333267 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.333267 0.666733 0.000000 Cr\n0.163552 0.836448 0.500000 Cr\n0.000000 0.000000 0.000000 W\n0.015238 0.353202 0.899790 O\n0.646798 0.984762 0.100210 O\n0.812016 0.466917 0.603670 O\n0.533083 0.187984 0.396330 O\n0.843903 0.843903 0.395431 O\n0.695701 0.695701 0.905060 O\n0.304299 0.304299 0.094940 O\n0.156097 0.156097 0.604569 O\n0.466917 0.812016 0.603670 O\n0.187984 0.533083 0.396330 O\n0.353202 0.015238 0.899790 O\n0.984762 0.646798 0.100210 O\n",
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"formula_full": "Li4 Cr5 W1 O12",
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{
"id": "mp-1019580",
"created_at": "2022-09-04T14:40:21.447934Z",
"structure_string": "Ca4 Mg4 Si8 O24\n1.0\n8.358698 0.000000 0.000000\n0.000000 5.406134 0.000000\n0.000000 0.117159 9.888922\nCa Mg Si O\n4 4 8 24\ndirect\n0.447611 0.397672 0.270351 Ca\n0.947611 0.102328 0.729649 Ca\n0.552389 0.602328 0.729649 Ca\n0.052389 0.897672 0.270351 Ca\n0.333965 0.122763 0.768022 Mg\n0.833965 0.377237 0.231978 Mg\n0.666035 0.877237 0.231978 Mg\n0.166035 0.622763 0.768022 Mg\n0.329592 0.966139 0.503176 Si\n0.829592 0.533861 0.496824 Si\n0.670408 0.033861 0.496824 Si\n0.170408 0.466139 0.503176 Si\n0.653206 0.228898 0.962453 Si\n0.153206 0.271102 0.037547 Si\n0.346794 0.771102 0.037547 Si\n0.846794 0.728898 0.962453 Si\n0.493290 0.284238 0.879793 O\n0.993290 0.215762 0.120207 O\n0.506710 0.715762 0.120207 O\n0.006710 0.784238 0.879793 O\n0.229442 0.205987 0.417176 O\n0.729442 0.294013 0.582824 O\n0.770558 0.794013 0.582824 O\n0.270558 0.705987 0.417176 O\n0.009442 0.473493 0.613543 O\n0.509442 0.026507 0.386457 O\n0.990558 0.526507 0.386457 O\n0.490558 0.973493 0.613543 O\n0.308028 0.442834 0.632580 O\n0.808028 0.057166 0.367420 O\n0.691972 0.557166 0.367420 O\n0.191972 0.942834 0.632580 O\n0.147348 0.283619 0.873919 O\n0.647348 0.216381 0.126081 O\n0.852652 0.716381 0.126081 O\n0.352652 0.783619 0.873919 O\n0.770744 0.462092 0.903665 O\n0.270744 0.037908 0.096335 O\n0.229256 0.537908 0.096335 O\n0.729256 0.962092 0.903665 O\n",
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{
"id": "mp-1178047",
"created_at": "2022-09-04T14:40:31.964500Z",
"structure_string": "Li4 Cr6 W2 O16\n1.0\n3.012372 -5.210901 0.008812\n9.132567 1.783958 5.009082\n-2.990362 1.741419 4.924946\nLi Cr W O\n4 6 2 16\ndirect\n0.873281 0.194480 0.934484 Li\n0.873102 0.694635 0.438028 Li\n0.126720 0.305523 0.565514 Li\n0.126898 0.805370 0.061974 Li\n0.498487 0.499203 0.996799 Cr\n0.501511 0.000797 0.503204 Cr\n0.000126 0.499880 0.994623 Cr\n0.999881 0.000115 0.505394 Cr\n0.502577 0.499438 0.498915 Cr\n0.497423 0.000561 0.001077 Cr\n0.500001 0.249999 0.249996 W\n0.500003 0.749995 0.750002 W\n0.737055 0.397999 0.867874 O\n0.735984 0.898829 0.370992 O\n0.262940 0.102005 0.632122 O\n0.264019 0.601171 0.129010 O\n0.732425 0.624987 0.086578 O\n0.737572 0.119078 0.597871 O\n0.286000 0.619914 0.636967 O\n0.284365 0.120641 0.145005 O\n0.733728 0.619889 0.637374 O\n0.731213 0.125528 0.144994 O\n0.266271 0.880111 0.862626 O\n0.268786 0.374475 0.355003 O\n0.713991 0.880084 0.863031 O\n0.715637 0.379361 0.354994 O\n0.267583 0.875011 0.413429 O\n0.262421 0.380924 0.902123 O\n",
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"formula_full": "Li4 Cr6 W2 O16",
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{
"id": "mp-1581648",
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"structure_string": "Li4 Co4 B4 O12\n1.0\n-0.140639 -0.000096 3.115334\n9.091118 0.000000 0.462841\n0.000006 9.445018 -0.000298\nLi Co B O\n4 4 4 12\ndirect\n0.258174 0.133037 0.700907 Li\n0.245329 0.366711 0.201710 Li\n0.758183 0.633039 0.799093 Li\n0.745297 0.866712 0.298295 Li\n0.743257 0.205844 0.939726 Co\n0.243300 0.705838 0.560272 Co\n0.751098 0.294225 0.439700 Co\n0.251211 0.794233 0.060296 Co\n0.244004 0.103917 0.209951 B\n0.256607 0.396149 0.709752 B\n0.743975 0.603918 0.290049 B\n0.756609 0.896143 0.790246 B\n0.761715 0.046648 0.785572 O\n0.743552 0.453361 0.285526 O\n0.261692 0.546654 0.714434 O\n0.243464 0.953361 0.214477 O\n0.248119 0.185772 0.334105 O\n0.254525 0.314062 0.833736 O\n0.747993 0.685771 0.165895 O\n0.754497 0.814058 0.666262 O\n0.241540 0.183298 0.082190 O\n0.252169 0.316981 0.581897 O\n0.741509 0.683295 0.417811 O\n0.752181 0.816973 0.918101 O\n",
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{
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"created_at": "2022-09-04T14:44:16.120605Z",
"structure_string": "Y1 Mg6 Mn1 O8\n1.0\n8.951769 0.000000 0.000000\n0.000000 4.468489 0.000000\n0.000000 0.000000 4.468489\nY Mg Mn O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.236105 0.000000 0.500000 Mg\n0.763895 0.000000 0.500000 Mg\n0.236105 0.500000 0.000000 Mg\n0.763895 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.246216 0.000000 0.000000 O\n0.753784 0.000000 0.000000 O\n0.247912 0.500000 0.500000 O\n0.752088 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Y1 Mg6 Mn1 O8",
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{
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"structure_string": "Mn5 In3 O12\n1.0\n5.210630 0.000000 0.000000\n0.047849 5.403905 0.000000\n0.251408 0.041776 7.934848\nMn In O\n5 3 12\ndirect\n0.997526 0.499522 0.996543 Mn\n0.502294 0.999917 0.502785 Mn\n0.999579 0.500935 0.504424 Mn\n0.500860 0.001128 0.995232 Mn\n0.518063 0.447360 0.763710 Mn\n0.021520 0.060382 0.261862 In\n0.477681 0.558677 0.234783 In\n0.980685 0.942351 0.738999 In\n0.802802 0.191449 0.920138 O\n0.302328 0.300138 0.417364 O\n0.200882 0.804615 0.081983 O\n0.696268 0.700839 0.584871 O\n0.126650 0.565117 0.767085 O\n0.628051 0.935256 0.268148 O\n0.871780 0.437177 0.232772 O\n0.373405 0.068357 0.732327 O\n0.304756 0.301651 0.058065 O\n0.813965 0.191405 0.550749 O\n0.685932 0.691349 0.944634 O\n0.194970 0.802377 0.443527 O\n",
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"elements": [
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"formula_full": "Mn5 In3 O12",
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},
{
"id": "mp-731452",
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"structure_string": "Li6 Ti8 Ni1 P8 O40\n1.0\n6.453411 0.000000 0.000000\n-0.059225 10.435012 0.000000\n-0.032175 -0.175208 10.450858\nLi Ti Ni P O\n6 8 1 8 40\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.763644 0.281861 0.943631 Ti\n0.749369 0.779011 0.440658 Ti\n0.748934 0.559462 0.720764 Ti\n0.749598 0.059028 0.221174 Ti\n0.250631 0.220989 0.559342 Ti\n0.236356 0.718139 0.056369 Ti\n0.250402 0.940972 0.778826 Ti\n0.251066 0.440538 0.279236 Ti\n0.500000 0.500000 0.000000 Ni\n0.751128 0.250329 0.623880 P\n0.748874 0.750121 0.122205 P\n0.750031 0.878476 0.749815 P\n0.746294 0.378597 0.251848 P\n0.251126 0.249879 0.877795 P\n0.248872 0.749671 0.376120 P\n0.253706 0.621403 0.748152 P\n0.249969 0.121524 0.250185 P\n0.943435 0.188010 0.561052 O\n0.942506 0.690545 0.060582 O\n0.943474 0.941630 0.812155 O\n0.944458 0.442833 0.306963 O\n0.752478 0.397464 0.601157 O\n0.746214 0.897403 0.101312 O\n0.751326 0.636179 0.522993 O\n0.752917 0.137310 0.023338 O\n0.749109 0.733747 0.779405 O\n0.750997 0.222154 0.768300 O\n0.752832 0.233805 0.280772 O\n0.746605 0.719067 0.266172 O\n0.721724 0.479194 0.864077 O\n0.750369 0.977624 0.364398 O\n0.750329 0.899561 0.602854 O\n0.728585 0.399275 0.105193 O\n0.557160 0.188244 0.560570 O\n0.557635 0.688429 0.055755 O\n0.557198 0.940874 0.811523 O\n0.558210 0.439602 0.319349 O\n0.441790 0.560398 0.680651 O\n0.442802 0.059126 0.188477 O\n0.442365 0.311571 0.944245 O\n0.442840 0.811756 0.439430 O\n0.247083 0.862690 0.976662 O\n0.253786 0.102597 0.898688 O\n0.248674 0.363821 0.477007 O\n0.247168 0.766195 0.719228 O\n0.247522 0.602536 0.398843 O\n0.250891 0.266253 0.220595 O\n0.271415 0.600725 0.894807 O\n0.249671 0.100439 0.397146 O\n0.253395 0.280933 0.733828 O\n0.249631 0.022376 0.635602 O\n0.249003 0.777846 0.231700 O\n0.278276 0.520806 0.135923 O\n0.055542 0.557167 0.693037 O\n0.056526 0.058370 0.187845 O\n0.057494 0.309455 0.939418 O\n0.056565 0.811990 0.438948 O\n",
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"formula_full": "Li6 Ti8 Ni1 P8 O40",
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"updated_at": "2021-11-28T01:37:25.999000Z",
"spacegroup": 2
},
{
"id": "mp-758940",
"created_at": "2022-09-04T14:40:20.534310Z",
"structure_string": "Li8 Fe8 Si8 O32\n1.0\n10.438400 0.000000 0.000000\n0.000000 5.783005 0.000000\n0.000000 0.130624 10.363146\nLi Fe Si O\n8 8 8 32\ndirect\n0.169751 0.851353 0.837364 Li\n0.330249 0.851353 0.337364 Li\n0.649491 0.665227 0.610242 Li\n0.850509 0.665227 0.110242 Li\n0.149491 0.334773 0.889758 Li\n0.350509 0.334773 0.389758 Li\n0.669751 0.148647 0.662636 Li\n0.830249 0.148647 0.162636 Li\n0.873524 0.857814 0.509130 Fe\n0.626476 0.857814 0.009130 Fe\n0.416171 0.621708 0.765013 Fe\n0.083829 0.621708 0.265013 Fe\n0.916171 0.378292 0.734987 Fe\n0.583829 0.378292 0.234987 Fe\n0.373524 0.142186 0.990870 Fe\n0.126476 0.142186 0.490870 Fe\n0.894874 0.881637 0.824714 Si\n0.605126 0.881637 0.324714 Si\n0.151681 0.624011 0.574533 Si\n0.348319 0.624011 0.074533 Si\n0.651681 0.375989 0.925467 Si\n0.848319 0.375989 0.425467 Si\n0.394874 0.118363 0.675286 Si\n0.105126 0.118363 0.175286 Si\n0.802509 0.873072 0.953604 O\n0.492806 0.892247 0.675116 O\n0.697491 0.873072 0.453604 O\n0.007194 0.892247 0.175116 O\n0.809078 0.887667 0.688315 O\n0.059909 0.857622 0.571983 O\n0.690922 0.887667 0.188315 O\n0.440091 0.857622 0.071983 O\n0.253429 0.666900 0.688357 O\n0.984136 0.642666 0.827628 O\n0.246571 0.666900 0.188357 O\n0.515864 0.642666 0.327628 O\n0.567097 0.610701 0.888602 O\n0.292319 0.582052 0.928873 O\n0.932903 0.610701 0.388602 O\n0.207681 0.582052 0.428873 O\n0.792319 0.417948 0.571127 O\n0.067097 0.389299 0.611398 O\n0.707681 0.417948 0.071127 O\n0.432903 0.389299 0.111398 O\n0.484136 0.357334 0.672372 O\n0.753429 0.333100 0.811643 O\n0.015864 0.357334 0.172372 O\n0.746571 0.333100 0.311643 O\n0.559909 0.142378 0.928017 O\n0.309078 0.112333 0.811685 O\n0.940091 0.142378 0.428017 O\n0.190922 0.112333 0.311685 O\n0.992806 0.107753 0.824884 O\n0.302509 0.126928 0.546396 O\n0.507194 0.107753 0.324884 O\n0.197491 0.126928 0.046396 O\n",
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],
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]
}