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{
"id": "mp-19192",
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"structure_string": "Y4 Mn2 Ni2 O12\n1.0\n5.279875 0.000004 0.018260\n0.000004 5.599818 -0.000014\n0.027528 -0.000019 7.579403\nY Mn Ni O\n4 2 2 12\ndirect\n0.480900 0.429282 0.748714 Y\n0.019099 0.929283 0.751287 Y\n0.519100 0.570718 0.251286 Y\n0.980901 0.070717 0.248713 Y\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.202019 0.188055 0.947455 O\n0.297981 0.688054 0.552545 O\n0.797981 0.811945 0.052545 O\n0.702019 0.311946 0.447455 O\n0.183538 0.207259 0.557522 O\n0.316461 0.707258 0.942478 O\n0.816461 0.792741 0.442478 O\n0.683539 0.292742 0.057522 O\n0.108072 0.462765 0.257620 O\n0.391928 0.962765 0.242381 O\n0.891928 0.537235 0.742380 O\n0.608072 0.037235 0.757619 O\n",
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{
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"structure_string": "Y4 Mn2 S8\n1.0\n1.898910 -6.200332 0.000000\n1.898910 6.200332 0.000000\n0.000000 0.000000 12.905283\nY Mn S\n4 2 8\ndirect\n0.381301 0.618699 0.784567 Y\n0.618699 0.381301 0.284567 Y\n0.137401 0.862599 0.581955 Y\n0.862599 0.137401 0.081955 Y\n0.126548 0.873452 0.945744 Mn\n0.873452 0.126548 0.445744 Mn\n0.790715 0.209285 0.634447 S\n0.209285 0.790715 0.134447 S\n0.490269 0.509731 0.995874 S\n0.509731 0.490269 0.495874 S\n0.760069 0.239931 0.895532 S\n0.239931 0.760069 0.395532 S\n0.038425 0.961575 0.769880 S\n0.961575 0.038425 0.269880 S\n",
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"formula_full": "Y4 Mn2 S8",
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"updated_at": "2021-11-28T01:35:03.767000Z",
"spacegroup": 36
},
{
"id": "mp-1216107",
"created_at": "2022-09-04T14:45:33.047620Z",
"structure_string": "Y4 Mn2 Sb2 O14\n1.0\n-3.572586 3.745977 5.182448\n3.572586 -3.745977 5.182448\n3.572586 3.745977 -5.182448\nY Mn Sb O\n4 2 2 14\ndirect\n0.500000 0.500000 0.500000 Y\n0.500000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.372719 0.622719 0.750000 O\n0.627281 0.377281 0.250000 O\n0.328170 0.078170 0.250000 O\n0.918674 0.668674 0.250000 O\n0.342425 0.666536 0.259814 O\n0.906722 0.082611 0.240186 O\n0.342425 0.082611 0.675889 O\n0.906722 0.666536 0.824111 O\n0.671830 0.921830 0.750000 O\n0.081326 0.331326 0.750000 O\n0.657575 0.333464 0.740186 O\n0.093278 0.917389 0.759814 O\n0.657575 0.917389 0.324111 O\n0.093278 0.333464 0.175889 O\n",
"nsites": 22,
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"elements": [
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"density": 5.584613995736522,
"density_atomic": 0.07930123262015033,
"volume": 277.4231783430038,
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"formula_full": "Y4 Mn2 Sb2 O14",
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"formula_anonymous": "ABC2D7",
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"updated_at": "2021-11-28T01:37:06.147000Z",
"spacegroup": 74
},
{
"id": "mp-1207849",
"created_at": "2022-09-04T14:47:23.175847Z",
"structure_string": "Y2 Mn1 Si2\n1.0\n2.891492 0.000000 0.000000\n0.000000 2.891492 0.000000\n0.000000 0.000000 13.764196\nY Mn Si\n2 1 2\ndirect\n0.500000 0.500000 0.623762 Y\n0.500000 0.500000 0.376238 Y\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.168140 Si\n0.500000 0.500000 0.831860 Si\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.169010463253224,
"density_atomic": 0.04344853784781004,
"volume": 115.07867117447815,
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"formula_full": "Y2 Mn1 Si2",
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"updated_at": "2021-11-28T01:37:58.433000Z",
"spacegroup": 123
},
{
"id": "mp-1194598",
"created_at": "2022-09-04T14:46:08.312236Z",
"structure_string": "Y4 Mn2 Si24 O56\n1.0\n-3.814800 7.692627 9.931714\n3.814800 -7.692627 9.931714\n3.814800 7.692627 -9.931714\nY Mn Si O\n4 2 24 56\ndirect\n0.977426 0.750000 0.227426 Y\n0.522574 0.750000 0.772574 Y\n0.022574 0.250000 0.772574 Y\n0.477426 0.250000 0.227426 Y\n0.750000 0.750000 0.000000 Mn\n0.250000 0.250000 0.000000 Mn\n0.928257 0.593851 0.817141 Si\n0.776711 0.111117 0.182859 Si\n0.723289 0.906149 0.334406 Si\n0.571743 0.388883 0.665594 Si\n0.071743 0.406149 0.182859 Si\n0.223289 0.888883 0.817141 Si\n0.276711 0.093851 0.665594 Si\n0.428257 0.611117 0.334406 Si\n0.228287 0.703423 0.227580 Si\n0.475843 0.000707 0.772420 Si\n0.024157 0.796577 0.524864 Si\n0.271713 0.499293 0.475136 Si\n0.771713 0.296577 0.772420 Si\n0.524157 0.999293 0.227580 Si\n0.975843 0.203423 0.475136 Si\n0.728287 0.500707 0.524864 Si\n0.130268 0.823765 0.954033 Si\n0.869732 0.176235 0.045967 Si\n0.630268 0.676235 0.306503 Si\n0.369732 0.323765 0.693497 Si\n0.331114 0.735757 0.066871 Si\n0.668886 0.264243 0.933129 Si\n0.831114 0.764243 0.595357 Si\n0.168886 0.235757 0.404643 Si\n0.919763 0.719961 0.018120 O\n0.701841 0.901643 0.981880 O\n0.798159 0.780039 0.199802 O\n0.580237 0.598357 0.800198 O\n0.080237 0.280039 0.981880 O\n0.298159 0.098357 0.018120 O\n0.201841 0.219961 0.800198 O\n0.419763 0.401643 0.199802 O\n0.107345 0.573898 0.065025 O\n0.508873 0.042321 0.934975 O\n0.991127 0.926102 0.533447 O\n0.392655 0.457679 0.466553 O\n0.892655 0.426102 0.934975 O\n0.491127 0.957679 0.065025 O\n0.008873 0.073898 0.466553 O\n0.607345 0.542321 0.533447 O\n0.963220 0.394925 0.694100 O\n0.700825 0.269120 0.305900 O\n0.799175 0.105075 0.568295 O\n0.536780 0.230880 0.431705 O\n0.036780 0.605075 0.305900 O\n0.299175 0.730880 0.694100 O\n0.200825 0.894925 0.431705 O\n0.463220 0.769120 0.568295 O\n0.303432 0.613816 0.257029 O\n0.356786 0.046402 0.742971 O\n0.143214 0.886184 0.689616 O\n0.196568 0.453598 0.310384 O\n0.696568 0.386184 0.742971 O\n0.643214 0.953598 0.257029 O\n0.856786 0.113816 0.310384 O\n0.803432 0.546402 0.689616 O\n0.011136 0.694603 0.837741 O\n0.856862 0.173395 0.162259 O\n0.643138 0.805397 0.316533 O\n0.488864 0.326605 0.683467 O\n0.988864 0.305397 0.162259 O\n0.143138 0.826605 0.837741 O\n0.356862 0.194603 0.683467 O\n0.511136 0.673395 0.316533 O\n0.300782 0.768532 0.202296 O\n0.566236 0.098486 0.797704 O\n0.933764 0.731468 0.532250 O\n0.199218 0.401514 0.467750 O\n0.699218 0.231468 0.797704 O\n0.433764 0.901514 0.202296 O\n0.066236 0.268532 0.467750 O\n0.800782 0.598486 0.532250 O\n0.225837 0.734934 0.960771 O\n0.774163 0.265066 0.039229 O\n0.725837 0.765066 0.490903 O\n0.274163 0.234934 0.509097 O\n0.363590 0.534905 0.898496 O\n0.636410 0.465095 0.101504 O\n0.863590 0.965095 0.828685 O\n0.136410 0.034905 0.171315 O\n",
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"elements": [
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"formula_full": "Y4 Mn2 Si24 O56",
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"spacegroup": 72
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{
"id": "mp-18265",
"created_at": "2022-09-04T14:46:27.797639Z",
"structure_string": "Y4 Mo4 O14\n1.0\n0.000000 5.211740 5.211740\n5.211740 0.000000 5.211740\n5.211740 5.211740 0.000000\nY Mo O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Y\n0.625000 0.125000 0.125000 Y\n0.125000 0.625000 0.125000 Y\n0.125000 0.125000 0.625000 Y\n0.625000 0.625000 0.625000 Mo\n0.125000 0.625000 0.625000 Mo\n0.625000 0.125000 0.625000 Mo\n0.625000 0.625000 0.125000 Mo\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.536933 0.963067 0.536933 O\n0.286933 0.713067 0.286933 O\n0.536933 0.536933 0.963067 O\n0.963067 0.536933 0.536933 O\n0.536933 0.963067 0.963067 O\n0.963067 0.963067 0.536933 O\n0.963067 0.536933 0.963067 O\n0.713067 0.286933 0.286933 O\n0.286933 0.713067 0.713067 O\n0.713067 0.713067 0.286933 O\n0.286933 0.286933 0.713067 O\n0.713067 0.286933 0.713067 O\n",
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{
"id": "mp-1364503",
"created_at": "2022-09-04T14:41:18.287789Z",
"structure_string": "Y4 Mo12 O42\n1.0\n3.683781 6.414257 0.000000\n-3.683781 6.414257 0.000000\n0.000000 0.267096 18.201102\nY Mo O\n4 12 42\ndirect\n0.826402 0.826402 0.656944 Y\n0.173598 0.173598 0.343056 Y\n0.641157 0.641157 0.830859 Y\n0.358843 0.358843 0.169141 Y\n0.157630 0.157630 0.825602 Mo\n0.500000 0.500000 0.500000 Mo\n0.842370 0.842370 0.174398 Mo\n0.154439 0.662414 0.840946 Mo\n0.500000 0.000000 0.500000 Mo\n0.845561 0.337586 0.159054 Mo\n0.341678 0.341678 0.669056 Mo\n0.658322 0.658322 0.330944 Mo\n0.000000 0.000000 0.000000 Mo\n0.662414 0.154439 0.840946 Mo\n0.000000 0.500000 0.500000 Mo\n0.337586 0.845561 0.159054 Mo\n0.989320 0.989320 0.633265 O\n0.305094 0.305094 0.276676 O\n0.672736 0.672736 0.943359 O\n0.694906 0.694906 0.723324 O\n0.010680 0.010680 0.366735 O\n0.327264 0.327264 0.056641 O\n0.207221 0.207221 0.730785 O\n0.545838 0.545838 0.397785 O\n0.888168 0.888168 0.068346 O\n0.879092 0.879092 0.805326 O\n0.209919 0.209919 0.474126 O\n0.544616 0.544616 0.156034 O\n0.785962 0.427098 0.517926 O\n0.148674 0.736153 0.184966 O\n0.460475 0.077413 0.849831 O\n0.427098 0.785962 0.517926 O\n0.736153 0.148674 0.184966 O\n0.077413 0.460475 0.849831 O\n0.576703 0.194023 0.724699 O\n0.916142 0.537589 0.398854 O\n0.253924 0.886452 0.065128 O\n0.194023 0.576703 0.724699 O\n0.537589 0.916142 0.398854 O\n0.886452 0.253924 0.065128 O\n0.790081 0.790081 0.525874 O\n0.120908 0.120908 0.194674 O\n0.455384 0.455384 0.843966 O\n0.083858 0.462411 0.601146 O\n0.423297 0.805977 0.275301 O\n0.746076 0.113548 0.934872 O\n0.263847 0.851326 0.815034 O\n0.572902 0.214038 0.482074 O\n0.922587 0.539525 0.150169 O\n0.851326 0.263847 0.815034 O\n0.214038 0.572902 0.482074 O\n0.539525 0.922587 0.150169 O\n0.462411 0.083858 0.601146 O\n0.805977 0.423297 0.275301 O\n0.113548 0.746076 0.934872 O\n0.454162 0.454162 0.602215 O\n0.792779 0.792779 0.269215 O\n0.111832 0.111832 0.931654 O\n",
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{
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