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{
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"structure_string": "Sr4 Y2 V4 O14\n1.0\n-2.626721 2.730522 12.832399\n2.626721 -2.730522 12.832399\n2.626721 2.730522 -12.832399\nSr Y V O\n4 2 4 14\ndirect\n0.823009 0.752226 0.942632 Sr\n0.190407 0.247774 0.070783 Sr\n0.690407 0.619624 0.942632 Sr\n0.323009 0.380376 0.070783 Sr\n0.515605 0.500000 0.015605 Y\n0.015605 0.000000 0.015605 Y\n0.435171 0.927283 0.524401 V\n0.597118 0.072717 0.507888 V\n0.097118 0.589229 0.524401 V\n0.935171 0.410771 0.507888 V\n0.010565 0.513953 0.024518 O\n0.510565 0.486047 0.496612 O\n0.213349 0.197586 0.514878 O\n0.317292 0.802414 0.015762 O\n0.817292 0.801530 0.514878 O\n0.713349 0.198470 0.015762 O\n0.708216 0.691855 0.517411 O\n0.825556 0.308145 0.016361 O\n0.325556 0.309194 0.517411 O\n0.208216 0.690806 0.016361 O\n0.868640 0.322493 0.492332 O\n0.169840 0.677507 0.546147 O\n0.669840 0.123693 0.492332 O\n0.368640 0.876307 0.546147 O\n",
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{
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"structure_string": "Cr3 Co3 Te2 O16\n1.0\n5.814209 -0.014044 0.068028\n-2.919252 5.056196 -0.000565\n0.109080 0.062729 9.117388\nCr Co Te O\n3 3 2 16\ndirect\n0.165349 0.826268 0.217077 Cr\n0.165305 0.339717 0.216872 Cr\n0.336342 0.167888 0.718931 Cr\n0.653368 0.827008 0.212285 Co\n0.825129 0.655516 0.712663 Co\n0.825074 0.169005 0.712750 Co\n0.339128 0.669408 0.493871 Te\n0.671501 0.335880 0.989648 Te\n0.167355 0.834707 0.596730 O\n0.037591 0.518972 0.351416 O\n0.337653 0.669323 0.108246 O\n0.984980 0.992700 0.298105 O\n0.987512 0.993470 0.797148 O\n0.167439 0.332318 0.596692 O\n0.488822 0.962690 0.340835 O\n0.488837 0.526479 0.340630 O\n0.337447 0.168920 0.096020 O\n0.674430 0.836953 0.596901 O\n0.523692 0.485750 0.842991 O\n0.523616 0.037618 0.843139 O\n0.671449 0.335349 0.611955 O\n0.832686 0.666000 0.094666 O\n0.962726 0.481157 0.831368 O\n0.832569 0.167101 0.094781 O\n",
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"formula_full": "Cr3 Co3 Te2 O16",
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"spacegroup": 8
},
{
"id": "mp-1189871",
"created_at": "2022-09-04T14:41:37.320548Z",
"structure_string": "Zr10 Sn6 N2\n1.0\n4.244016 -7.350851 0.000000\n4.244016 7.350851 0.000000\n0.000000 0.000000 5.813558\nZr Sn N\n10 6 2\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.779704 0.779704 0.750000 Zr\n0.220296 0.000000 0.750000 Zr\n0.000000 0.220296 0.750000 Zr\n0.220296 0.220296 0.250000 Zr\n0.779704 0.000000 0.250000 Zr\n0.000000 0.779704 0.250000 Zr\n0.405193 0.405193 0.750000 Sn\n0.594807 0.000000 0.750000 Sn\n0.000000 0.594807 0.750000 Sn\n0.594807 0.594807 0.250000 Sn\n0.405193 0.000000 0.250000 Sn\n0.000000 0.405193 0.250000 Sn\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
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"formula_full": "Zr10 Sn6 N2",
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},
{
"id": "mp-758844",
"created_at": "2022-09-04T14:41:37.325500Z",
"structure_string": "Li24 Cu8 Si8 O32\n1.0\n-5.374083 5.374083 6.466994\n5.374083 -5.374083 6.466994\n5.374083 5.374083 -6.466994\nLi Cu Si O\n24 8 8 32\ndirect\n0.965772 0.099157 0.191251 Li\n0.784228 0.150843 0.308749 Li\n0.849157 0.157906 0.633384 Li\n0.225479 0.034228 0.133384 Li\n0.724170 0.557283 0.140058 Li\n0.437638 0.299750 0.139651 Li\n0.524521 0.215772 0.366616 Li\n0.900843 0.092094 0.866616 Li\n0.700250 0.839901 0.137888 Li\n0.442717 0.582775 0.166888 Li\n0.842094 0.475479 0.691251 Li\n0.907906 0.774521 0.808749 Li\n0.415887 0.275830 0.833112 Li\n0.307283 0.667225 0.333112 Li\n0.702013 0.562362 0.862112 Li\n0.049750 0.410099 0.362112 Li\n0.332775 0.665887 0.640058 Li\n0.589901 0.952013 0.639651 Li\n0.312362 0.950250 0.360349 Li\n0.160099 0.297987 0.860349 Li\n0.025830 0.692717 0.359942 Li\n0.417225 0.584113 0.859942 Li\n0.047987 0.687638 0.637888 Li\n0.334113 0.974170 0.666888 Li\n0.825366 0.316715 0.044590 Cu\n0.219224 0.174634 0.491349 Cu\n0.066715 0.522125 0.991349 Cu\n0.924634 0.933285 0.455410 Cu\n0.477875 0.469224 0.544590 Cu\n0.530776 0.075366 0.008651 Cu\n0.683285 0.727875 0.508651 Cu\n0.272125 0.780776 0.955410 Cu\n0.005151 0.788006 0.151061 Si\n0.744849 0.461994 0.348939 Si\n0.211994 0.363054 0.217144 Si\n0.604090 0.255151 0.717144 Si\n0.145910 0.994849 0.782856 Si\n0.538006 0.886946 0.282856 Si\n0.113054 0.395910 0.651061 Si\n0.636946 0.854090 0.848939 Si\n0.729149 0.004958 0.379530 O\n0.650382 0.270851 0.275809 O\n0.883902 0.489837 0.300888 O\n0.866098 0.760163 0.199112 O\n0.995042 0.374573 0.724191 O\n0.606551 0.513986 0.243404 O\n0.734002 0.171291 0.753859 O\n0.332568 0.269858 0.253859 O\n0.239837 0.438949 0.105935 O\n0.416986 0.116098 0.605935 O\n0.828709 0.582568 0.562710 O\n0.730142 0.984002 0.062710 O\n0.020851 0.245042 0.120470 O\n0.625427 0.349618 0.620470 O\n0.486014 0.729418 0.092565 O\n0.263986 0.520582 0.407435 O\n0.636853 0.393449 0.907435 O\n0.921291 0.667432 0.937290 O\n0.019858 0.265998 0.437290 O\n0.510163 0.811051 0.394065 O\n0.333014 0.133902 0.894065 O\n0.015998 0.078709 0.746141 O\n0.417432 0.980142 0.246141 O\n0.143449 0.736014 0.256596 O\n0.270582 0.363147 0.756596 O\n0.754958 0.875427 0.775809 O\n0.561051 0.666986 0.800888 O\n0.188949 0.583014 0.699112 O\n0.099618 0.979149 0.224191 O\n0.479418 0.886853 0.743404 O\n0.113147 0.856551 0.592565 O\n0.124573 0.900382 0.879530 O\n",
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"formula_full": "Li24 Cu8 Si8 O32",
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"spacegroup": 88
},
{
"id": "mp-11239",
"created_at": "2022-09-04T14:41:37.326016Z",
"structure_string": "Zr2 Ag2\n1.0\n3.499437 0.000000 0.000000\n0.000000 3.499437 0.000000\n0.000000 0.000000 6.677844\nZr Ag\n2 2\ndirect\n0.500000 0.000000 0.142568 Zr\n0.000000 0.500000 0.857432 Zr\n0.500000 0.000000 0.614874 Ag\n0.000000 0.500000 0.385126 Ag\n",
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},
{
"id": "mp-570463",
"created_at": "2022-09-04T14:41:37.296533Z",
"structure_string": "Ta8 Co16\n1.0\n2.376202 -4.115702 0.000000\n2.376202 4.115702 0.000000\n0.000000 0.000000 15.475400\nTa Co\n8 16\ndirect\n0.333333 0.666667 0.844178 Ta\n0.000000 0.000000 0.092366 Ta\n0.666667 0.333333 0.155822 Ta\n0.000000 0.000000 0.907634 Ta\n0.000000 0.000000 0.592366 Ta\n0.000000 0.000000 0.407634 Ta\n0.666667 0.333333 0.344178 Ta\n0.333333 0.666667 0.655822 Ta\n0.500000 0.000000 0.000000 Co\n0.834856 0.165144 0.750000 Co\n0.666667 0.333333 0.874123 Co\n0.165144 0.330288 0.250000 Co\n0.330288 0.165144 0.750000 Co\n0.834856 0.669712 0.750000 Co\n0.000000 0.500000 0.000000 Co\n0.669712 0.834856 0.250000 Co\n0.500000 0.000000 0.500000 Co\n0.165144 0.834856 0.250000 Co\n0.333333 0.666667 0.125877 Co\n0.500000 0.500000 0.000000 Co\n0.666667 0.333333 0.625877 Co\n0.000000 0.500000 0.500000 Co\n0.333333 0.666667 0.374123 Co\n0.500000 0.500000 0.500000 Co\n",
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{
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"structure_string": "Ti8 P16 H36 C8 N4 O64\n1.0\n6.453162 0.000000 0.000000\n0.000000 10.913975 0.000000\n0.000000 5.784276 20.231174\nTi P H C N O\n8 16 36 8 4 64\ndirect\n0.537541 0.306737 0.300656 Ti\n0.962459 0.306737 0.800656 Ti\n0.462459 0.693263 0.699344 Ti\n0.037541 0.693263 0.199344 Ti\n0.039854 0.293521 0.106921 Ti\n0.460146 0.293521 0.606921 Ti\n0.960146 0.706479 0.893079 Ti\n0.539854 0.706479 0.393079 Ti\n0.684423 0.005125 0.327978 P\n0.815577 0.005125 0.827978 P\n0.315577 0.994875 0.672022 P\n0.184423 0.994875 0.172022 P\n0.037516 0.360183 0.256258 P\n0.462484 0.360183 0.756258 P\n0.962484 0.639817 0.743742 P\n0.537516 0.639817 0.243742 P\n0.546484 0.336013 0.134667 P\n0.953516 0.336013 0.634667 P\n0.453516 0.663987 0.865333 P\n0.046484 0.663987 0.365333 P\n0.074522 0.625061 0.053514 P\n0.425478 0.625061 0.553514 P\n0.925478 0.374939 0.946486 P\n0.574522 0.374939 0.446486 P\n0.748847 0.933003 0.241178 H\n0.751153 0.933003 0.741178 H\n0.251153 0.066997 0.758822 H\n0.248847 0.066997 0.258822 H\n0.704450 0.519238 0.128390 H\n0.795550 0.519238 0.628390 H\n0.295550 0.480762 0.871610 H\n0.204450 0.480762 0.371610 H\n0.412776 0.581946 0.067647 H\n0.087224 0.581946 0.567647 H\n0.587224 0.418054 0.932353 H\n0.912776 0.418054 0.432353 H\n0.967163 0.925074 0.426444 H\n0.532837 0.925074 0.926444 H\n0.032837 0.074926 0.573556 H\n0.467163 0.074926 0.073556 H\n0.093319 0.800905 0.481174 H\n0.406681 0.800905 0.981174 H\n0.906681 0.199095 0.518826 H\n0.593319 0.199095 0.018826 H\n0.310277 0.985902 0.434983 H\n0.189723 0.985902 0.934983 H\n0.689723 0.014098 0.565017 H\n0.810277 0.014098 0.065017 H\n0.291395 0.943602 0.523405 H\n0.208605 0.943602 0.023405 H\n0.708605 0.056398 0.476595 H\n0.791395 0.056398 0.976595 H\n0.958208 0.847920 0.576300 H\n0.541792 0.847920 0.076300 H\n0.041792 0.152080 0.423700 H\n0.458208 0.152080 0.923700 H\n0.757014 0.821081 0.523824 H\n0.742986 0.821081 0.023824 H\n0.242986 0.178919 0.476176 H\n0.257014 0.178919 0.976176 H\n0.207361 0.982030 0.476876 C\n0.292639 0.982030 0.976876 C\n0.792639 0.017970 0.523124 C\n0.707361 0.017970 0.023124 C\n0.880669 0.886423 0.528533 C\n0.619331 0.886423 0.028533 C\n0.119331 0.113577 0.471467 C\n0.380669 0.113577 0.971467 C\n0.035198 0.891962 0.474857 N\n0.464802 0.891962 0.974857 N\n0.964802 0.108038 0.525143 N\n0.535198 0.108038 0.025143 N\n0.229096 0.313133 0.300185 O\n0.270904 0.313133 0.800185 O\n0.770904 0.686867 0.699815 O\n0.729096 0.686867 0.199815 O\n0.525678 0.305319 0.393728 O\n0.974322 0.305319 0.893728 O\n0.474322 0.694681 0.606272 O\n0.025678 0.694681 0.106272 O\n0.840528 0.314509 0.297882 O\n0.659472 0.314509 0.797882 O\n0.159472 0.685491 0.702118 O\n0.340528 0.685491 0.202118 O\n0.530000 0.293062 0.209467 O\n0.970000 0.293062 0.709467 O\n0.470000 0.706938 0.790533 O\n0.030000 0.706938 0.290533 O\n0.536290 0.493408 0.270490 O\n0.963710 0.493408 0.770490 O\n0.463710 0.506592 0.729510 O\n0.036290 0.506592 0.229510 O\n0.543860 0.120704 0.327657 O\n0.956140 0.120704 0.827657 O\n0.456140 0.879296 0.672343 O\n0.043860 0.879296 0.172343 O\n0.042182 0.301149 0.196863 O\n0.457818 0.301149 0.696863 O\n0.957818 0.698851 0.803137 O\n0.542182 0.698851 0.303137 O\n0.349029 0.314175 0.099613 O\n0.150971 0.314175 0.599613 O\n0.650971 0.685825 0.900387 O\n0.849029 0.685825 0.400387 O\n0.034502 0.302741 0.010748 O\n0.465498 0.302741 0.510748 O\n0.965498 0.697259 0.989252 O\n0.534502 0.697259 0.489252 O\n0.734473 0.278402 0.108970 O\n0.765527 0.278402 0.608970 O\n0.265527 0.721598 0.891030 O\n0.234473 0.721598 0.391030 O\n0.065087 0.115933 0.129595 O\n0.434913 0.115933 0.629595 O\n0.934913 0.884067 0.870405 O\n0.565087 0.884067 0.370405 O\n0.011452 0.485159 0.078886 O\n0.488548 0.485159 0.578886 O\n0.988548 0.514841 0.921114 O\n0.511452 0.514841 0.421114 O\n0.674682 0.001352 0.253255 O\n0.825318 0.001352 0.753255 O\n0.325318 0.998648 0.746745 O\n0.174682 0.998648 0.246745 O\n0.896997 0.009259 0.356294 O\n0.603003 0.009259 0.856294 O\n0.103003 0.990741 0.643706 O\n0.396997 0.990741 0.143706 O\n0.574342 0.489650 0.113267 O\n0.925658 0.489650 0.613267 O\n0.425658 0.510350 0.886733 O\n0.074342 0.510350 0.386733 O\n0.313829 0.639453 0.036167 O\n0.186171 0.639453 0.536167 O\n0.686171 0.360547 0.963833 O\n0.813829 0.360547 0.463833 O\n",
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