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{
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"structure_string": "Ca4 La2 Zr4 O15\n1.0\n12.412180 -2.987290 0.000000\n12.412180 2.987290 0.000000\n11.693217 0.000000 5.123944\nCa La Zr O\n4 2 4 15\ndirect\n0.615007 0.615007 0.615007 Ca\n0.000000 0.000000 0.000000 Ca\n0.384993 0.384993 0.384993 Ca\n0.500000 0.500000 0.500000 Ca\n0.814781 0.814781 0.814781 La\n0.185219 0.185219 0.185219 La\n0.902698 0.902698 0.902698 Zr\n0.297857 0.297857 0.297857 Zr\n0.702143 0.702143 0.702143 Zr\n0.097302 0.097302 0.097302 Zr\n0.715188 0.162312 0.715188 O\n0.284812 0.837688 0.284812 O\n0.901263 0.386650 0.901263 O\n0.098737 0.613350 0.098737 O\n0.500000 0.000000 0.500000 O\n0.284812 0.284812 0.837688 O\n0.901263 0.901263 0.386650 O\n0.500000 0.500000 0.000000 O\n0.715188 0.715188 0.162312 O\n0.098737 0.098737 0.613350 O\n0.162312 0.715188 0.715188 O\n0.837688 0.284812 0.284812 O\n0.386650 0.901263 0.901263 O\n0.613350 0.098737 0.098737 O\n0.000000 0.500000 0.500000 O\n",
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{
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"formula_full": "Gd3 Zn3 Pd3",
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},
{
"id": "mp-1504124",
"created_at": "2022-09-04T14:39:31.130262Z",
"structure_string": "Mg1 Cr2 N2\n1.0\n3.700640 0.000000 0.000000\n0.000000 3.700640 0.000000\n0.000000 0.000000 5.468821\nMg Cr N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.748144 Cr\n0.500000 0.500000 0.251856 Cr\n0.500000 0.000000 0.229985 N\n0.000000 0.500000 0.770015 N\n",
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],
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"volume": 74.89406206628507,
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"formula_full": "Mg1 Cr2 N2",
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},
{
"id": "mp-1112425",
"created_at": "2022-09-04T14:39:31.145412Z",
"structure_string": "K2 La1 Au1 Cl6\n1.0\n0.000000 5.498772 5.498772\n5.498772 0.000000 5.498772\n5.498772 5.498772 0.000000\nK La Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Au\n0.748964 0.251036 0.251036 Cl\n0.251036 0.251036 0.748964 Cl\n0.251036 0.748964 0.748964 Cl\n0.251036 0.748964 0.251036 Cl\n0.748964 0.251036 0.748964 Cl\n0.748964 0.748964 0.251036 Cl\n",
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"formula_full": "K2 La1 Au1 Cl6",
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},
{
"id": "mp-557783",
"created_at": "2022-09-04T14:39:31.151241Z",
"structure_string": "Y3 Fe6 O12\n1.0\n1.767604 3.071974 0.000000\n-1.767604 3.071974 0.000000\n0.000000 0.063733 25.200525\nY Fe O\n3 6 12\ndirect\n0.326995 0.326995 0.666299 Y\n0.000000 0.000000 0.000000 Y\n0.673005 0.673005 0.333701 Y\n0.334391 0.334391 0.453775 Fe\n0.672280 0.672280 0.120556 Fe\n0.327720 0.327720 0.879444 Fe\n0.009225 0.009225 0.213471 Fe\n0.990775 0.990775 0.786529 Fe\n0.665609 0.665609 0.546225 Fe\n0.991781 0.991781 0.871004 O\n0.007267 0.007267 0.292024 O\n0.332941 0.332941 0.958162 O\n0.327370 0.327370 0.794609 O\n0.670303 0.670303 0.461781 O\n0.329697 0.329697 0.538219 O\n0.672630 0.672630 0.205391 O\n0.992733 0.992733 0.707976 O\n0.667059 0.667059 0.041838 O\n0.008219 0.008219 0.128996 O\n0.661075 0.661075 0.624721 O\n0.338925 0.338925 0.375279 O\n",
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"elements": [
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"formula_full": "Y3 Fe6 O12",
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"updated_at": "2021-11-28T01:34:30.869000Z",
"spacegroup": 12
},
{
"id": "mp-1247035",
"created_at": "2022-09-04T14:39:31.205342Z",
"structure_string": "Mg2 V2 Co2 S8\n1.0\n6.215123 -0.000098 3.588275\n2.051108 5.782390 3.623792\n0.029822 0.064602 7.124904\nMg V Co S\n2 2 2 8\ndirect\n0.875336 0.874632 0.874659 Mg\n0.124658 0.125371 0.125348 Mg\n0.500000 0.500005 0.999993 V\n0.499999 0.999991 0.500014 V\n0.500002 0.500003 0.499993 Co\n0.000001 0.499997 0.500004 Co\n0.752301 0.728762 0.728768 S\n0.259890 0.279507 0.700707 S\n0.259899 0.700687 0.279502 S\n0.709824 0.271236 0.271219 S\n0.740092 0.299318 0.720486 S\n0.290173 0.728758 0.728776 S\n0.247705 0.271232 0.271240 S\n0.740123 0.720496 0.299291 S\n",
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"elements": [
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],
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"density": 3.4252273438583276,
"density_atomic": 0.05501850947049326,
"volume": 254.45981969955545,
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"formula_full": "Mg2 V2 Co2 S8",
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"spacegroup": 74
},
{
"id": "mp-578949",
"created_at": "2022-09-04T14:39:38.983406Z",
"structure_string": "Na16 Mn12 P16 O60\n1.0\n6.719124 0.000000 0.000000\n0.000000 10.896022 0.000000\n0.000000 0.000000 18.365665\nNa Mn P O\n16 12 16 60\ndirect\n0.658923 0.752845 0.207029 Na\n0.322918 0.043055 0.964296 Na\n0.191643 0.020174 0.492194 Na\n0.691643 0.520174 0.007806 Na\n0.566955 0.727688 0.398793 Na\n0.658923 0.747155 0.707029 Na\n0.066955 0.272312 0.601207 Na\n0.158923 0.247155 0.792971 Na\n0.566955 0.772312 0.898793 Na\n0.322918 0.456945 0.464296 Na\n0.066955 0.227688 0.101207 Na\n0.822918 0.956945 0.035704 Na\n0.158923 0.252845 0.292971 Na\n0.822918 0.543055 0.535704 Na\n0.191643 0.479826 0.992194 Na\n0.691643 0.979826 0.507806 Na\n0.409670 0.988883 0.640748 Mn\n0.398186 0.505549 0.661966 Mn\n0.409670 0.511117 0.140748 Mn\n0.676660 0.255033 0.238194 Mn\n0.898186 0.005549 0.838034 Mn\n0.909670 0.488883 0.859252 Mn\n0.909670 0.011117 0.359252 Mn\n0.176660 0.755033 0.261806 Mn\n0.676660 0.244967 0.738194 Mn\n0.898186 0.494451 0.338034 Mn\n0.398186 0.994451 0.161966 Mn\n0.176660 0.744967 0.761806 Mn\n0.354274 0.729793 0.551738 P\n0.417426 0.485756 0.820686 P\n0.407070 0.494180 0.298421 P\n0.544779 0.242135 0.063961 P\n0.354274 0.770207 0.051738 P\n0.854274 0.270207 0.448262 P\n0.917426 0.514244 0.179314 P\n0.407070 0.005820 0.798421 P\n0.907070 0.505820 0.701579 P\n0.917426 0.985756 0.679314 P\n0.044779 0.742135 0.436039 P\n0.417426 0.014244 0.320686 P\n0.854274 0.229793 0.948262 P\n0.907070 0.994180 0.201579 P\n0.044779 0.757865 0.936039 P\n0.544779 0.257865 0.563961 P\n0.446526 0.121010 0.263543 O\n0.717349 0.962934 0.157436 O\n0.080552 0.015716 0.148553 O\n0.893999 0.639108 0.420708 O\n0.939368 0.633150 0.943638 O\n0.628135 0.293098 0.482348 O\n0.594661 0.996608 0.373222 O\n0.442062 0.112955 0.742560 O\n0.094661 0.496608 0.126778 O\n0.217872 0.743702 0.382499 O\n0.725796 0.544335 0.136081 O\n0.942062 0.887045 0.257440 O\n0.939368 0.866850 0.443638 O\n0.128135 0.793098 0.017652 O\n0.580552 0.515716 0.351447 O\n0.942062 0.612955 0.757440 O\n0.887051 0.389358 0.751790 O\n0.946526 0.621010 0.236457 O\n0.446526 0.378990 0.763543 O\n0.387051 0.610642 0.248210 O\n0.217349 0.462934 0.342564 O\n0.717872 0.256298 0.617501 O\n0.898471 0.396558 0.228346 O\n0.904886 0.365576 0.961537 O\n0.628135 0.206902 0.982348 O\n0.439368 0.133150 0.556362 O\n0.337059 0.798918 0.133367 O\n0.837059 0.201082 0.866633 O\n0.898471 0.103442 0.728346 O\n0.837059 0.298918 0.366633 O\n0.989306 0.360672 0.488090 O\n0.094661 0.003392 0.626778 O\n0.594661 0.503392 0.873222 O\n0.398471 0.896558 0.271654 O\n0.489306 0.860672 0.011910 O\n0.217349 0.037066 0.842564 O\n0.725796 0.955665 0.636081 O\n0.489306 0.639328 0.511910 O\n0.946526 0.878990 0.736457 O\n0.387051 0.889358 0.748210 O\n0.398471 0.603442 0.771654 O\n0.580552 0.984284 0.851447 O\n0.337059 0.701082 0.633367 O\n0.717872 0.243702 0.117501 O\n0.989306 0.139328 0.988090 O\n0.404886 0.634424 0.038463 O\n0.904886 0.134424 0.461537 O\n0.439368 0.366850 0.056362 O\n0.442062 0.387045 0.242560 O\n0.225796 0.044335 0.363919 O\n0.080552 0.484284 0.648553 O\n0.404886 0.865576 0.538463 O\n0.893999 0.860892 0.920708 O\n0.717349 0.537066 0.657436 O\n0.225796 0.455665 0.863919 O\n0.393999 0.360892 0.579292 O\n0.887051 0.110642 0.251790 O\n0.128135 0.706902 0.517652 O\n0.393999 0.139108 0.079292 O\n0.217872 0.756298 0.882499 O\n",
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"formula_full": "Na16 Mn12 P16 O60",
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"spacegroup": 33
},
{
"id": "mp-1247269",
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"structure_string": "Co2 Ge14 N20\n1.0\n6.846941 0.000000 0.080377\n0.000000 7.446783 0.000000\n-2.531933 0.000000 9.970209\nCo Ge N\n2 14 20\ndirect\n0.999750 0.875201 0.706715 Co\n0.999750 0.124799 0.206715 Co\n0.542519 0.981050 0.814683 Ge\n0.542519 0.018950 0.314683 Ge\n0.329410 0.016675 0.017170 Ge\n0.329410 0.983325 0.517170 Ge\n0.115987 0.396005 0.073657 Ge\n0.115987 0.603995 0.573657 Ge\n0.655100 0.350052 0.988738 Ge\n0.655100 0.649948 0.488738 Ge\n0.841407 0.620048 0.818293 Ge\n0.841407 0.379952 0.318293 Ge\n0.303260 0.625997 0.879288 Ge\n0.303260 0.374003 0.379288 Ge\n0.493225 0.362522 0.682469 Ge\n0.493225 0.637478 0.182469 Ge\n0.775461 0.858241 0.815973 N\n0.775461 0.141759 0.315973 N\n0.532734 0.134293 0.958233 N\n0.532734 0.865707 0.458233 N\n0.289819 0.875874 0.853057 N\n0.289819 0.124126 0.353057 N\n0.130356 0.149748 0.057760 N\n0.130356 0.850252 0.557760 N\n0.297887 0.512111 0.720387 N\n0.297887 0.487889 0.220387 N\n0.445955 0.122004 0.664441 N\n0.445955 0.877996 0.164441 N\n0.879487 0.356881 0.135835 N\n0.879487 0.643119 0.635835 N\n0.080245 0.571737 0.942838 N\n0.080245 0.428263 0.442838 N\n0.713214 0.401782 0.823473 N\n0.713214 0.598218 0.323473 N\n0.516485 0.554411 0.016288 N\n0.516485 0.445589 0.516288 N\n",
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},
{
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"structure_string": "Mn4 Ag4 O16\n1.0\n8.409324 0.000000 0.000000\n0.000000 5.634142 0.000000\n0.000000 5.321512 7.160366\nMn Ag O\n4 4 16\ndirect\n0.687667 0.403239 0.839461 Mn\n0.812333 0.403239 0.339461 Mn\n0.187667 0.596761 0.660539 Mn\n0.312333 0.596761 0.160539 Mn\n0.967014 0.914328 0.834858 Ag\n0.532986 0.914328 0.334858 Ag\n0.467014 0.085672 0.665142 Ag\n0.032986 0.085672 0.165142 Ag\n0.851730 0.206252 0.906795 O\n0.723832 0.730850 0.783954 O\n0.442442 0.762615 0.992806 O\n0.942442 0.237385 0.507194 O\n0.057558 0.762615 0.492806 O\n0.276168 0.269150 0.216046 O\n0.557558 0.237385 0.007194 O\n0.382578 0.563159 0.344143 O\n0.117422 0.563159 0.844143 O\n0.148270 0.793748 0.093205 O\n0.882578 0.436841 0.155857 O\n0.223832 0.269150 0.716046 O\n0.776168 0.730850 0.283954 O\n0.351730 0.793748 0.593205 O\n0.617422 0.436841 0.655857 O\n0.648270 0.206252 0.406795 O\n",
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{
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"structure_string": "Ca4 Fe8 O16\n1.0\n5.212685 -0.001256 0.000699\n-0.000836 6.021944 -0.000154\n-0.000216 -0.000379 11.201861\nCa Fe O\n4 8 16\ndirect\n0.855175 0.249606 0.750049 Ca\n0.144816 0.750409 0.249959 Ca\n0.534223 0.251022 0.250043 Ca\n0.465753 0.748664 0.749948 Ca\n0.495019 0.250662 0.515200 Fe\n0.495000 0.250692 0.984932 Fe\n0.999720 0.500388 0.499760 Fe\n0.999731 0.500425 0.000235 Fe\n0.504982 0.751009 0.484798 Fe\n0.505019 0.751017 0.015054 Fe\n0.000289 0.000423 0.999766 Fe\n0.000273 0.000393 0.500243 Fe\n0.842379 0.749188 0.402377 O\n0.842311 0.749300 0.097616 O\n0.157598 0.249369 0.597646 O\n0.157686 0.249324 0.902379 O\n0.182149 0.749567 0.588913 O\n0.182093 0.749544 0.911007 O\n0.817849 0.249514 0.411085 O\n0.817915 0.249594 0.088987 O\n0.664867 0.502223 0.604127 O\n0.665119 0.997206 0.896362 O\n0.335133 0.002847 0.395937 O\n0.334904 0.497708 0.103641 O\n0.334895 0.497722 0.396304 O\n0.335124 0.002777 0.104050 O\n0.665090 0.997118 0.603652 O\n0.664886 0.502287 0.895930 O\n",
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}