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{
"id": "mp-1174697",
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.972776 0.000000 0.000000\n0.133168 8.083205 0.000000\n0.793425 2.141355 10.394229\nLi Mn Co O\n8 2 4 14\ndirect\n0.146778 0.063219 0.709915 Li\n0.852038 0.930488 0.286763 Li\n0.579793 0.789169 0.849736 Li\n0.711625 0.353612 0.570953 Li\n0.426591 0.215436 0.145376 Li\n0.292618 0.648499 0.427614 Li\n0.994147 0.500065 0.004443 Li\n0.705275 0.861039 0.576681 Li\n0.001907 0.999312 0.999628 Mn\n0.146743 0.580307 0.710119 Mn\n0.427272 0.711751 0.145252 Co\n0.856053 0.426693 0.286595 Co\n0.583443 0.285918 0.854237 Co\n0.279273 0.131784 0.433399 Co\n0.595981 0.046284 0.860243 O\n0.291258 0.918781 0.424573 O\n0.023480 0.752983 0.009402 O\n0.167610 0.329897 0.722995 O\n0.878241 0.190283 0.292442 O\n0.683224 0.602297 0.587637 O\n0.449609 0.473452 0.149875 O\n0.692901 0.112530 0.558824 O\n0.403165 0.953096 0.139700 O\n0.133736 0.803615 0.717359 O\n0.263903 0.377006 0.420519 O\n0.978583 0.246626 0.992662 O\n0.832244 0.666131 0.282652 O\n0.602510 0.529728 0.840407 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "mp-19340",
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"structure_string": "Li2 V2 O4\n1.0\n1.485516 2.573007 0.000010\n1.524559 -0.880192 4.923919\n4.489418 -2.591984 0.034367\nLi V O\n2 2 4\ndirect\n0.000000 0.000000 0.999999 Li\n0.500000 0.000000 0.499999 Li\n0.499999 0.499999 0.000003 V\n0.000002 0.499999 0.500002 V\n0.499993 0.269742 0.740976 O\n0.000005 0.269688 0.240972 O\n0.500007 0.730259 0.259023 O\n0.999993 0.730313 0.759026 O\n",
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"updated_at": "2021-11-28T01:35:30.408000Z",
"spacegroup": 166
},
{
"id": "mp-1210035",
"created_at": "2022-09-04T14:41:34.186487Z",
"structure_string": "Nd4 Co2 Ru2 O12\n1.0\n5.820964 0.000000 0.000000\n0.000000 5.446813 0.000000\n0.000000 5.439734 7.814700\nNd Co Ru O\n4 2 2 12\ndirect\n0.433335 0.229803 0.749310 Nd\n0.566665 0.770197 0.250690 Nd\n0.933335 0.770197 0.750690 Nd\n0.066665 0.229803 0.249310 Nd\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.195893 0.747821 0.950839 O\n0.804107 0.252179 0.049161 O\n0.695893 0.252179 0.549161 O\n0.304107 0.747821 0.450839 O\n0.705393 0.865430 0.944724 O\n0.294607 0.134570 0.055276 O\n0.205393 0.134570 0.555276 O\n0.794607 0.865430 0.444724 O\n0.032723 0.347826 0.753272 O\n0.967277 0.652174 0.246728 O\n0.532723 0.652174 0.746728 O\n0.467277 0.347826 0.253272 O\n",
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"formula_full": "Nd4 Co2 Ru2 O12",
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},
{
"id": "mp-10906",
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"structure_string": "Zr2 Al2 Pt4\n1.0\n2.270630 -3.932847 0.000000\n2.270630 3.932847 0.000000\n0.000000 0.000000 8.259139\nZr Al Pt\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.750000 Al\n0.666667 0.333333 0.083481 Pt\n0.333333 0.666667 0.916519 Pt\n0.333333 0.666667 0.583481 Pt\n0.666667 0.333333 0.416519 Pt\n",
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"elements": [
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{
"id": "mp-1246307",
"created_at": "2022-09-04T14:41:34.189465Z",
"structure_string": "Mg22 C4 N20\n1.0\n13.141304 0.000000 0.000000\n0.000000 13.141304 0.000000\n0.000000 0.000000 3.175548\nMg C N\n22 4 20\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.986037 0.793484 0.500000 Mg\n0.013963 0.206516 0.500000 Mg\n0.513963 0.293484 0.000000 Mg\n0.486037 0.706516 0.000000 Mg\n0.793484 0.986037 0.500000 Mg\n0.206516 0.013963 0.500000 Mg\n0.293484 0.513963 0.000000 Mg\n0.706516 0.486037 0.000000 Mg\n0.660823 0.660823 0.500000 Mg\n0.339177 0.339177 0.500000 Mg\n0.839177 0.160823 0.000000 Mg\n0.160823 0.839177 0.000000 Mg\n0.385023 0.903960 0.500000 Mg\n0.614977 0.096040 0.500000 Mg\n0.114977 0.403960 0.000000 Mg\n0.885023 0.596040 0.000000 Mg\n0.903960 0.385023 0.500000 Mg\n0.096040 0.614977 0.500000 Mg\n0.403960 0.114977 0.000000 Mg\n0.596040 0.885023 0.000000 Mg\n0.309141 0.690859 0.500000 C\n0.690859 0.309141 0.500000 C\n0.190859 0.190859 0.000000 C\n0.809141 0.809141 0.000000 C\n0.086112 0.913888 0.500000 N\n0.913888 0.086112 0.500000 N\n0.413888 0.413888 0.000000 N\n0.586112 0.586112 0.000000 N\n0.481303 0.184561 0.500000 N\n0.518697 0.815439 0.500000 N\n0.018697 0.684561 0.000000 N\n0.981303 0.315439 0.000000 N\n0.184561 0.481303 0.500000 N\n0.815439 0.518697 0.500000 N\n0.684561 0.018697 0.000000 N\n0.315439 0.981303 0.000000 N\n0.243009 0.756991 0.500000 N\n0.756991 0.243009 0.500000 N\n0.256991 0.256991 0.000000 N\n0.743009 0.743009 0.000000 N\n0.375743 0.624257 0.500000 N\n0.624257 0.375743 0.500000 N\n0.124257 0.124257 0.000000 N\n0.875743 0.875743 0.000000 N\n",
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"formula_full": "Mg22 C4 N20",
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"spacegroup": 136
},
{
"id": "mp-10990",
"created_at": "2022-09-04T14:41:34.192150Z",
"structure_string": "Al8 C2 N6 O2\n1.0\n3.016483 -4.474870 0.000000\n3.016483 4.474870 0.000000\n0.000000 0.000000 9.067098\nAl C N O\n8 2 6 2\ndirect\n0.895378 0.548780 0.391131 Al\n0.451220 0.104622 0.391131 Al\n0.104622 0.451220 0.891131 Al\n0.548780 0.895378 0.891131 Al\n0.048879 0.951121 0.676896 Al\n0.951121 0.048879 0.176896 Al\n0.403436 0.596564 0.592410 Al\n0.596564 0.403436 0.092410 Al\n0.196387 0.803613 0.504916 C\n0.803613 0.196387 0.004916 C\n0.678814 0.830838 0.707649 N\n0.321186 0.169162 0.207649 N\n0.181990 0.818010 0.836909 N\n0.830838 0.678814 0.207649 N\n0.818010 0.181990 0.336909 N\n0.169162 0.321186 0.707649 N\n0.435737 0.564263 0.976830 O\n0.564262 0.435738 0.476830 O\n",
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"formula_full": "Al8 C2 N6 O2",
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"spacegroup": 36
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{
"id": "mp-1195033",
"created_at": "2022-09-04T14:41:34.213336Z",
"structure_string": "Ba12 Nb8 Se36\n1.0\n7.457707 0.000000 0.000000\n0.000000 12.578958 0.000000\n-2.300090 0.000000 17.704832\nBa Nb Se\n12 8 36\ndirect\n0.262395 0.911022 0.915285 Ba\n0.737605 0.411022 0.584715 Ba\n0.737605 0.088978 0.084715 Ba\n0.262395 0.588978 0.415285 Ba\n0.745173 0.743607 0.746199 Ba\n0.254827 0.243607 0.753801 Ba\n0.254827 0.256393 0.253801 Ba\n0.745173 0.756393 0.246199 Ba\n0.742867 0.431337 0.919809 Ba\n0.257133 0.931337 0.580191 Ba\n0.257133 0.568663 0.080191 Ba\n0.742867 0.068663 0.419809 Ba\n0.713726 0.055617 0.850893 Nb\n0.286274 0.555617 0.649107 Nb\n0.286274 0.944383 0.149107 Nb\n0.713726 0.444383 0.350893 Nb\n0.219770 0.567457 0.846524 Nb\n0.780230 0.067457 0.653476 Nb\n0.780230 0.432543 0.153476 Nb\n0.219770 0.932543 0.346524 Nb\n0.245377 0.726689 0.740871 Se\n0.754623 0.226689 0.759129 Se\n0.754623 0.273311 0.259129 Se\n0.245377 0.773311 0.240871 Se\n0.035783 0.704578 0.619383 Se\n0.964217 0.204578 0.880617 Se\n0.964217 0.295422 0.380617 Se\n0.035783 0.795422 0.119383 Se\n0.002786 0.658224 0.916091 Se\n0.997214 0.158224 0.583909 Se\n0.997214 0.341776 0.083909 Se\n0.002786 0.841776 0.416091 Se\n0.989133 0.983177 0.759645 Se\n0.010867 0.483177 0.740355 Se\n0.010867 0.016823 0.240355 Se\n0.989133 0.516823 0.259645 Se\n0.816111 0.917165 0.940238 Se\n0.183889 0.417165 0.559762 Se\n0.183889 0.082835 0.059762 Se\n0.816111 0.582835 0.440238 Se\n0.494942 0.973573 0.750746 Se\n0.505058 0.473573 0.749254 Se\n0.505058 0.026427 0.249254 Se\n0.494942 0.526427 0.250746 Se\n0.497802 0.152349 0.919627 Se\n0.502198 0.652349 0.580373 Se\n0.502198 0.847651 0.080373 Se\n0.497802 0.347651 0.419627 Se\n0.487707 0.689652 0.881718 Se\n0.512293 0.189652 0.618282 Se\n0.512293 0.310348 0.118282 Se\n0.487707 0.810348 0.381718 Se\n0.699138 0.914977 0.571641 Se\n0.300862 0.414977 0.928359 Se\n0.300862 0.085023 0.428359 Se\n0.699138 0.585023 0.071641 Se\n",
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"formula_full": "Ba12 Nb8 Se36",
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{
"id": "mp-28541",
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"structure_string": "Bi4 P8 O26\n1.0\n3.492624 6.080018 0.000000\n-3.492624 6.080018 0.000000\n0.000000 3.697818 12.870069\nBi P O\n4 8 26\ndirect\n0.696772 0.699045 0.941099 Bi\n0.300955 0.303228 0.558901 Bi\n0.303228 0.300955 0.058901 Bi\n0.699045 0.696772 0.441099 Bi\n0.865389 0.155113 0.636450 P\n0.844887 0.134611 0.863550 P\n0.134611 0.844887 0.363550 P\n0.155113 0.865389 0.136450 P\n0.762707 0.776605 0.658424 P\n0.223395 0.237293 0.841576 P\n0.237293 0.223395 0.341576 P\n0.776605 0.762707 0.158424 P\n0.766840 0.233160 0.750000 O\n0.233160 0.766840 0.250000 O\n0.688583 0.306532 0.934192 O\n0.693468 0.311417 0.565808 O\n0.311417 0.693468 0.065808 O\n0.306532 0.688583 0.434192 O\n0.881942 0.897338 0.893559 O\n0.102662 0.118058 0.606441 O\n0.118058 0.102662 0.106441 O\n0.897338 0.881942 0.393559 O\n0.899858 0.906669 0.655265 O\n0.093331 0.100142 0.844735 O\n0.306058 0.291915 0.228385 O\n0.708085 0.693942 0.271615 O\n0.693942 0.708085 0.771615 O\n0.291915 0.306058 0.728385 O\n0.925316 0.566706 0.095860 O\n0.433294 0.074684 0.404140 O\n0.074684 0.433294 0.904140 O\n0.566706 0.925316 0.595860 O\n0.580675 0.922078 0.097305 O\n0.077922 0.419325 0.402695 O\n0.419325 0.077922 0.902695 O\n0.922078 0.580675 0.597305 O\n0.906669 0.899858 0.155265 O\n0.100142 0.093331 0.344735 O\n",
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},
{
"id": "mp-1183394",
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"structure_string": "Ba1 Tm1 O3\n1.0\n4.374127 0.000000 0.000000\n0.000000 4.374127 0.000000\n0.000000 0.000000 4.374127\nBa Tm O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Tm\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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