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{
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{
"id": "mp-755105",
"created_at": "2022-09-04T14:42:39.044227Z",
"structure_string": "Mn6 O11 F1\n1.0\n3.157800 4.372151 0.000000\n-3.157800 4.372151 0.000000\n0.000000 2.706715 6.549304\nMn O F\n6 11 1\ndirect\n0.332217 0.332217 0.165637 Mn\n0.344459 0.344459 0.667632 Mn\n0.662252 0.662252 0.331007 Mn\n0.668900 0.668900 0.838213 Mn\n0.993795 0.993795 0.488587 Mn\n0.999304 0.999304 0.009806 Mn\n0.971688 0.359593 0.335841 O\n0.639433 0.029424 0.665486 O\n0.434699 0.434699 0.371394 O\n0.768377 0.768377 0.038949 O\n0.894140 0.894140 0.297737 O\n0.567691 0.567691 0.629139 O\n0.232759 0.232759 0.961652 O\n0.694312 0.304290 0.998969 O\n0.029424 0.639433 0.665486 O\n0.359593 0.971688 0.335841 O\n0.304290 0.694312 0.998969 O\n0.102668 0.102668 0.699656 F\n",
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{
"id": "mp-1227737",
"created_at": "2022-09-04T14:47:20.735238Z",
"structure_string": "Ca2 Zr1 Ti1 Ge2 O10\n1.0\n5.681965 0.000000 0.000000\n-1.570033 5.515732 0.000000\n-1.800811 -2.392845 6.774978\nCa Zr Ti Ge O\n2 1 1 2 10\ndirect\n0.182651 0.833027 0.758458 Ca\n0.817349 0.166973 0.241542 Ca\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Ti\n0.168036 0.813340 0.245097 Ge\n0.831964 0.186660 0.754903 Ge\n0.230151 0.121992 0.408754 O\n0.140850 0.246614 0.922912 O\n0.769849 0.878008 0.591246 O\n0.859150 0.753386 0.077088 O\n0.611474 0.191497 0.889774 O\n0.173421 0.606549 0.388306 O\n0.388526 0.808503 0.110226 O\n0.826579 0.393451 0.611694 O\n0.575690 0.427235 0.237953 O\n0.424310 0.572765 0.762047 O\n",
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"elements": [
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"formula_full": "Ca2 Zr1 Ti1 Ge2 O10",
"formula_reduced": "Ca2ZrTi(GeO5)2",
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"updated_at": "2021-11-28T01:38:04.633000Z",
"spacegroup": 2
},
{
"id": "mp-1216366",
"created_at": "2022-09-04T14:41:55.724112Z",
"structure_string": "V1 Fe3 P4 O16\n1.0\n5.876766 0.000000 0.000000\n0.000000 4.880806 0.000000\n0.000000 0.002076 9.980868\nV Fe P O\n1 3 4 16\ndirect\n0.500000 0.532974 0.229220 V\n0.500000 0.953108 0.725926 Fe\n0.000000 0.452987 0.774227 Fe\n0.000000 0.043879 0.272837 Fe\n0.500000 0.097589 0.406972 P\n0.500000 0.400888 0.904226 P\n0.000000 0.901990 0.594370 P\n0.000000 0.600989 0.094736 P\n0.500000 0.791997 0.379918 O\n0.500000 0.708964 0.877806 O\n0.000000 0.209916 0.621430 O\n0.000000 0.292762 0.122055 O\n0.295756 0.248219 0.333168 O\n0.704275 0.252558 0.831105 O\n0.795635 0.753336 0.667552 O\n0.204288 0.750377 0.167084 O\n0.204365 0.753336 0.667552 O\n0.795712 0.750377 0.167084 O\n0.704244 0.248219 0.333168 O\n0.295725 0.252558 0.831105 O\n0.500000 0.345589 0.054015 O\n0.500000 0.157098 0.556920 O\n0.000000 0.653490 0.943503 O\n0.000000 0.846801 0.444020 O\n",
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"density_atomic": 0.08383260962028094,
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"formula_full": "V1 Fe3 P4 O16",
"formula_reduced": "VFe3(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy": -192.93960363,
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"updated_at": "2021-11-28T01:35:32.554000Z",
"spacegroup": 6
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{
"id": "mp-1044293",
"created_at": "2022-09-04T14:40:31.065388Z",
"structure_string": "V12 Zn4 O28\n1.0\n5.407154 0.000000 0.000000\n0.000000 10.180317 0.000000\n0.000000 0.000000 10.274967\nV Zn O\n12 4 28\ndirect\n0.715336 0.684762 0.970034 V\n0.215336 0.815238 0.029966 V\n0.284664 0.315238 0.470034 V\n0.784664 0.184762 0.529966 V\n0.707110 0.777596 0.250000 V\n0.207110 0.722404 0.750000 V\n0.292890 0.222404 0.750000 V\n0.792890 0.277596 0.250000 V\n0.215336 0.815238 0.470034 V\n0.715336 0.684762 0.529966 V\n0.784664 0.184762 0.970034 V\n0.284664 0.315238 0.029966 V\n0.380812 0.062496 0.250000 Zn\n0.880812 0.437504 0.750000 Zn\n0.619188 0.937504 0.750000 Zn\n0.119188 0.562496 0.250000 Zn\n0.045782 0.291958 0.879386 O\n0.545782 0.208042 0.120614 O\n0.954218 0.708042 0.379386 O\n0.454218 0.791958 0.620614 O\n0.954218 0.708042 0.120614 O\n0.454218 0.791958 0.879386 O\n0.045782 0.291958 0.620614 O\n0.545782 0.208042 0.379386 O\n0.518581 0.282168 0.885657 O\n0.018581 0.217832 0.114343 O\n0.481419 0.717832 0.385657 O\n0.981419 0.782168 0.614343 O\n0.481419 0.717832 0.114343 O\n0.981419 0.782168 0.885657 O\n0.518581 0.282168 0.614343 O\n0.018581 0.217832 0.385657 O\n0.806978 0.441728 0.250000 O\n0.306978 0.058272 0.750000 O\n0.193022 0.558272 0.750000 O\n0.693022 0.941728 0.250000 O\n0.774915 0.035114 0.597872 O\n0.274915 0.464886 0.402128 O\n0.225085 0.964886 0.097872 O\n0.725085 0.535114 0.902128 O\n0.225085 0.964886 0.402128 O\n0.725085 0.535114 0.597872 O\n0.774915 0.035114 0.902128 O\n0.274915 0.464886 0.097872 O\n",
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"chemical_system": "O-V-Zn",
"density": 3.8780572556022737,
"density_atomic": 0.07779330103146995,
"volume": 565.601400333951,
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"formula_full": "V12 Zn4 O28",
"formula_reduced": "V3ZnO7",
"formula_anonymous": "AB3C7",
"energy": -353.72262933,
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"updated_at": "2021-11-28T01:34:52.842000Z",
"spacegroup": 62
},
{
"id": "mp-1218388",
"created_at": "2022-09-04T14:40:52.616442Z",
"structure_string": "Sr4 V2 Mo2 O12\n1.0\n-0.000017 4.002283 4.002287\n0.000020 -4.002547 4.002551\n8.006636 -0.000027 0.000003\nSr V Mo O\n4 2 2 12\ndirect\n0.499999 0.000002 0.250227 Sr\n0.500001 0.999998 0.749773 Sr\n0.999999 0.500002 0.250198 Sr\n0.000002 0.499998 0.749802 Sr\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.999998 0.000001 0.260520 O\n0.000002 0.999999 0.739480 O\n0.500000 0.500000 0.241656 O\n0.500000 0.500000 0.758345 O\n0.248525 0.248490 0.999999 O\n0.239442 0.239401 0.500000 O\n0.751475 0.751510 0.000001 O\n0.760557 0.760599 0.500000 O\n0.248526 0.751528 0.000001 O\n0.239467 0.760575 0.500004 O\n0.751475 0.248472 0.999999 O\n0.760533 0.239425 0.499996 O\n",
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],
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"density": 5.413187925968439,
"density_atomic": 0.07796599873332356,
"volume": 256.5220778920359,
"volume_molar": 7.7240603055676225,
"formula_full": "Sr4 V2 Mo2 O12",
"formula_reduced": "Sr2VMoO6",
"formula_anonymous": "ABC2D6",
"energy": -160.78345114999996,
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"updated_at": "2021-11-28T01:35:21.468000Z",
"spacegroup": 123
},
{
"id": "mp-755253",
"created_at": "2022-09-04T14:40:53.966529Z",
"structure_string": "Li2 Zr2 O4\n1.0\n-2.177346 2.177346 4.475215\n2.177346 -2.177346 4.475215\n2.177346 2.177346 -4.475215\nLi Zr O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Zr\n0.750000 0.250000 0.500000 Zr\n0.255998 0.255998 0.000000 O\n0.744002 0.744002 0.000000 O\n0.494002 0.994002 0.500000 O\n0.005998 0.505998 0.500000 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.093783945796442,
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"volume": 84.8650344251356,
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"formula_full": "Li2 Zr2 O4",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:24.812000Z",
"spacegroup": 141
},
{
"id": "mp-1208769",
"created_at": "2022-09-04T14:39:13.404823Z",
"structure_string": "Sr4 Mn4 P8 O28\n1.0\n8.524768 0.000000 0.000000\n0.000000 5.450372 0.000000\n0.000000 5.424681 12.910115\nSr Mn P O\n4 4 8 28\ndirect\n0.329899 0.436614 0.776008 Sr\n0.670101 0.563386 0.223992 Sr\n0.829899 0.563386 0.723992 Sr\n0.170101 0.436614 0.276008 Sr\n0.645674 0.926594 0.896002 Mn\n0.354326 0.073406 0.103998 Mn\n0.145674 0.073406 0.603998 Mn\n0.854326 0.926594 0.396002 Mn\n0.296118 0.704905 0.979823 P\n0.703882 0.295095 0.020177 P\n0.796118 0.295095 0.520177 P\n0.203882 0.704905 0.479823 P\n0.033462 0.909132 0.838135 P\n0.966538 0.090868 0.161865 P\n0.533462 0.090868 0.661865 P\n0.466538 0.909132 0.338135 P\n0.117956 0.789850 0.768245 O\n0.882044 0.210150 0.231755 O\n0.617956 0.210150 0.731755 O\n0.382044 0.789850 0.268245 O\n0.362316 0.182044 0.649066 O\n0.637684 0.817956 0.350934 O\n0.862316 0.817956 0.850934 O\n0.137684 0.182044 0.149066 O\n0.332693 0.441712 0.968357 O\n0.667307 0.558288 0.031643 O\n0.832693 0.558288 0.531643 O\n0.167307 0.441712 0.468357 O\n0.185907 0.695147 0.590523 O\n0.814093 0.304853 0.409477 O\n0.685907 0.304853 0.909477 O\n0.314093 0.695147 0.090523 O\n0.111789 0.775081 0.952785 O\n0.888211 0.224919 0.047215 O\n0.611789 0.224919 0.547215 O\n0.388211 0.775081 0.452785 O\n0.053120 0.210441 0.799638 O\n0.946880 0.789559 0.200362 O\n0.553120 0.789559 0.700362 O\n0.446880 0.210441 0.299638 O\n0.391254 0.937884 0.902056 O\n0.608746 0.062116 0.097944 O\n0.891254 0.062116 0.597944 O\n0.108746 0.937884 0.402056 O\n",
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"volume": 599.8446977278488,
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"formula_full": "Sr4 Mn4 P8 O28",
"formula_reduced": "SrMnP2O7",
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"updated_at": "2021-11-28T01:34:24.798000Z",
"spacegroup": 14
},
{
"id": "mp-755164",
"created_at": "2022-09-04T14:46:24.686062Z",
"structure_string": "Mn6 O11 F1\n1.0\n3.168532 -3.213495 0.000000\n3.168532 3.213495 0.000000\n0.000000 0.000000 8.974585\nMn O F\n6 11 1\ndirect\n0.992702 0.007298 0.825579 Mn\n0.000966 0.999034 0.500000 Mn\n0.992702 0.007298 0.174421 Mn\n0.519388 0.480612 0.000000 Mn\n0.496902 0.503098 0.666635 Mn\n0.496902 0.503098 0.333365 Mn\n0.803859 0.196141 0.664762 O\n0.803859 0.196141 0.335238 O\n0.809831 0.190169 0.000000 O\n0.305149 0.305653 0.833716 O\n0.305943 0.306026 0.500000 O\n0.305149 0.305653 0.166284 O\n0.694347 0.694851 0.833716 O\n0.693974 0.694057 0.500000 O\n0.694347 0.694851 0.166284 O\n0.192434 0.807566 0.665581 O\n0.192434 0.807566 0.334419 O\n0.199114 0.800886 0.000000 F\n",
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"elements": [
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],
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"density": 4.766657024383417,
"density_atomic": 0.09849006139347899,
"volume": 182.75955710990934,
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"formula_full": "Mn6 O11 F1",
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"formula_anonymous": "AB6C11",
"energy": -144.70810519,
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"spacegroup": 38
},
{
"id": "mp-1217982",
"created_at": "2022-09-04T14:39:08.359918Z",
"structure_string": "Sr1 Nd1 Mn1 O4\n1.0\n-1.928475 1.928475 6.400513\n1.928475 -1.928475 6.400513\n1.928475 1.928475 -6.400513\nSr Nd Mn O\n1 1 1 4\ndirect\n0.645301 0.645301 0.000000 Sr\n0.358566 0.358566 0.000000 Nd\n0.002721 0.002721 0.000000 Mn\n0.832681 0.832681 0.000000 O\n0.177260 0.177260 0.000000 O\n0.991735 0.491735 0.500000 O\n0.491735 0.991735 0.500000 O\n",
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"volume": 95.21443655647417,
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"formula_full": "Sr1 Nd1 Mn1 O4",
"formula_reduced": "SrNdMnO4",
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"energy": -56.27540006,
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"updated_at": "2021-11-28T01:34:25.568000Z",
"spacegroup": 107
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{
"id": "mp-1211926",
"created_at": "2022-09-04T14:45:26.341898Z",
"structure_string": "Rb16 Ta16 Si16 O88\n1.0\n7.387730 0.000000 0.000000\n0.000000 7.387730 0.000000\n0.000000 0.000000 39.693103\nRb Ta Si O\n16 16 16 88\ndirect\n0.030145 0.030145 0.375000 Rb\n0.969855 0.969855 0.875000 Rb\n0.969855 0.030145 0.625000 Rb\n0.030145 0.969855 0.125000 Rb\n0.014360 0.473729 0.074094 Rb\n0.985640 0.526271 0.574094 Rb\n0.526271 0.014360 0.324094 Rb\n0.985640 0.473729 0.925906 Rb\n0.473729 0.985640 0.824094 Rb\n0.014360 0.526271 0.425906 Rb\n0.473729 0.014360 0.675906 Rb\n0.526271 0.985640 0.175906 Rb\n0.500000 0.383929 0.000000 Rb\n0.500000 0.616071 0.500000 Rb\n0.616071 0.500000 0.250000 Rb\n0.383929 0.500000 0.750000 Rb\n0.266603 0.497681 0.160235 Ta\n0.733397 0.502319 0.660235 Ta\n0.502319 0.266603 0.410235 Ta\n0.733397 0.497681 0.839765 Ta\n0.497681 0.733397 0.910235 Ta\n0.266603 0.502319 0.339765 Ta\n0.497681 0.266603 0.589765 Ta\n0.502319 0.733397 0.089765 Ta\n0.502745 0.239223 0.092914 Ta\n0.497255 0.760777 0.592914 Ta\n0.760777 0.502745 0.342914 Ta\n0.497255 0.239223 0.907086 Ta\n0.239223 0.497255 0.842914 Ta\n0.502745 0.760777 0.407086 Ta\n0.239223 0.502745 0.657086 Ta\n0.760777 0.497255 0.157086 Ta\n0.005679 0.221053 0.209703 Si\n0.994321 0.778947 0.709703 Si\n0.778947 0.005679 0.459703 Si\n0.994321 0.221053 0.790297 Si\n0.221053 0.994321 0.959703 Si\n0.005679 0.778947 0.290297 Si\n0.221053 0.005679 0.540297 Si\n0.778947 0.994321 0.040297 Si\n0.005691 0.216421 0.291447 Si\n0.994309 0.783579 0.791447 Si\n0.783579 0.005691 0.541447 Si\n0.994309 0.216421 0.708553 Si\n0.216421 0.994309 0.041447 Si\n0.005691 0.783579 0.208553 Si\n0.216421 0.005691 0.458553 Si\n0.783579 0.994309 0.958553 Si\n0.299382 0.176721 0.058686 O\n0.700618 0.823279 0.558686 O\n0.823279 0.299382 0.308686 O\n0.700618 0.176721 0.941314 O\n0.176721 0.700618 0.808686 O\n0.299382 0.823279 0.441314 O\n0.176721 0.299382 0.691314 O\n0.823279 0.700618 0.191314 O\n0.322376 0.304597 0.127041 O\n0.677624 0.695403 0.627041 O\n0.695403 0.322376 0.377041 O\n0.677624 0.304597 0.872959 O\n0.304597 0.677624 0.877041 O\n0.322376 0.695403 0.372959 O\n0.304597 0.322376 0.622959 O\n0.695403 0.677624 0.122959 O\n0.008182 0.003016 0.200612 O\n0.991818 0.996984 0.700612 O\n0.996984 0.008182 0.450612 O\n0.991818 0.003016 0.799388 O\n0.003016 0.991818 0.950612 O\n0.008182 0.996984 0.299388 O\n0.003016 0.008182 0.549388 O\n0.996984 0.991818 0.049388 O\n0.246730 0.005905 0.000709 O\n0.753270 0.994095 0.500709 O\n0.994095 0.246730 0.250709 O\n0.753270 0.005905 0.999291 O\n0.005905 0.753270 0.750709 O\n0.246730 0.994095 0.499291 O\n0.005905 0.246730 0.749291 O\n0.994095 0.753270 0.249291 O\n0.693521 0.177491 0.056709 O\n0.306479 0.822509 0.556709 O\n0.822509 0.693521 0.306709 O\n0.306479 0.177491 0.943291 O\n0.177491 0.306479 0.806709 O\n0.693521 0.822509 0.443291 O\n0.177491 0.693521 0.693291 O\n0.822509 0.306479 0.193291 O\n0.695081 0.695081 0.375000 O\n0.304919 0.304919 0.875000 O\n0.304919 0.695081 0.625000 O\n0.695081 0.304919 0.125000 O\n0.497788 0.487090 0.072762 O\n0.502212 0.512910 0.572762 O\n0.512910 0.497788 0.322762 O\n0.502212 0.487090 0.927238 O\n0.487090 0.502212 0.822762 O\n0.497788 0.512910 0.427238 O\n0.487090 0.497788 0.677238 O\n0.512910 0.502212 0.177238 O\n0.321755 0.321755 0.375000 O\n0.678245 0.678245 0.875000 O\n0.678245 0.321755 0.625000 O\n0.321755 0.678245 0.125000 O\n0.397279 0.083779 0.248678 O\n0.602721 0.916221 0.748678 O\n0.916221 0.397279 0.498678 O\n0.602721 0.083779 0.751322 O\n0.083779 0.602721 0.998678 O\n0.397279 0.916221 0.251322 O\n0.083779 0.397279 0.501322 O\n0.916221 0.602721 0.001322 O\n0.190804 0.309013 0.194721 O\n0.809196 0.690987 0.694721 O\n0.690987 0.190804 0.444721 O\n0.809196 0.309013 0.805279 O\n0.309013 0.809196 0.944721 O\n0.190804 0.690987 0.305279 O\n0.309013 0.190804 0.555279 O\n0.690987 0.809196 0.055279 O\n0.011458 0.496433 0.143537 O\n0.988542 0.503567 0.643537 O\n0.503567 0.011458 0.393537 O\n0.988542 0.496433 0.856463 O\n0.496433 0.988542 0.893537 O\n0.011458 0.503567 0.356463 O\n0.496433 0.011458 0.606463 O\n0.503567 0.988542 0.106463 O\n0.190633 0.299760 0.307564 O\n0.809367 0.700240 0.807564 O\n0.700240 0.190633 0.557564 O\n0.809367 0.299760 0.692436 O\n0.299760 0.809367 0.057564 O\n0.190633 0.700240 0.192436 O\n0.299760 0.190633 0.442436 O\n0.700240 0.809367 0.942436 O\n",
"nsites": 136,
"nelements": 4,
"elements": [
"Rb",
"Ta",
"Si",
"O"
],
"chemical_system": "O-Rb-Si-Ta",
"density": 4.690952460470601,
"density_atomic": 0.06277718355303573,
"volume": 2166.392187459379,
"volume_molar": 9.592881392826975,
"formula_full": "Rb16 Ta16 Si16 O88",
"formula_reduced": "Rb2Ta2Si2O11",
"formula_anonymous": "A2B2C2D11",
"energy": -1093.3574477899997,
"energy_per_atom": -8.039392998455881,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1079.18944779,
"band_gap": 0.5166999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0416156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.290000Z",
"spacegroup": 91
},
{
"id": "mp-1226440",
"created_at": "2022-09-04T14:40:43.812557Z",
"structure_string": "Cs2 Al2 Si10 O24\n1.0\n-0.021375 0.000000 -5.103900\n-0.010688 -6.978813 -2.551950\n-17.354286 0.000000 -0.071675\nCs Al Si O\n2 2 10 24\ndirect\n0.810075 0.410803 0.267849 Cs\n0.220878 0.589197 0.767849 Cs\n0.986256 0.853333 0.341696 Al\n0.839588 0.146667 0.841696 Al\n0.366719 0.050062 0.411546 Si\n0.428867 0.950044 0.586816 Si\n0.378911 0.049956 0.086816 Si\n0.416780 0.949938 0.911546 Si\n0.300245 0.483662 0.446074 Si\n0.779748 0.520399 0.551419 Si\n0.300147 0.479601 0.051419 Si\n0.783907 0.516338 0.946074 Si\n0.844294 0.150078 0.654601 Si\n0.994373 0.849922 0.154601 Si\n0.121246 0.037247 0.355829 O\n0.163044 0.991921 0.646511 O\n0.154965 0.008079 0.146511 O\n0.158493 0.962753 0.855829 O\n0.211824 0.633680 0.376442 O\n0.841598 0.353968 0.617200 O\n0.195565 0.646032 0.117200 O\n0.845504 0.366320 0.876442 O\n0.598847 0.480908 0.481440 O\n0.075753 0.527582 0.518257 O\n0.603335 0.472418 0.018257 O\n0.079755 0.519092 0.981440 O\n0.937532 0.818433 0.243443 O\n0.755965 0.181567 0.743443 O\n0.667878 0.906249 0.387700 O\n0.621892 0.077530 0.607717 O\n0.699422 0.922470 0.107717 O\n0.574126 0.093751 0.887700 O\n0.302042 0.003311 0.501444 O\n0.305353 0.996689 0.001444 O\n0.350045 0.275404 0.407298 O\n0.613867 0.721844 0.596717 O\n0.335711 0.278156 0.096717 O\n0.625449 0.724596 0.907298 O\n",
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"elements": [
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"Si",
"O"
],
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"volume": 618.1344615098722,
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"formula_full": "Cs2 Al2 Si10 O24",
"formula_reduced": "CsAlSi5O12",
"formula_anonymous": "ABC5D12",
"energy": -305.4978215,
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"updated_at": "2021-11-28T01:35:08.172000Z",
"spacegroup": 9
},
{
"id": "mp-1209615",
"created_at": "2022-09-04T14:41:46.654644Z",
"structure_string": "Sc4 V8 O8\n1.0\n-4.439226 4.439226 -4.332806\n4.439226 -4.439226 -4.332806\n-4.439226 -4.439226 4.332806\nSc V O\n4 8 8\ndirect\n0.875000 0.125000 0.250000 Sc\n0.875000 0.625000 0.750000 Sc\n0.375000 0.125000 0.250000 Sc\n0.875000 0.125000 0.750000 Sc\n0.517199 0.193312 0.676113 V\n0.517199 0.841085 0.323887 V\n0.591085 0.767199 0.823887 V\n0.232801 0.408915 0.176113 V\n0.232801 0.056688 0.823887 V\n0.943312 0.767199 0.176113 V\n0.158915 0.482801 0.676113 V\n0.806688 0.482801 0.323887 V\n0.669723 0.522069 0.852346 O\n0.669723 0.817377 0.147654 O\n0.567377 0.919723 0.647654 O\n0.080277 0.432623 0.352346 O\n0.080277 0.727931 0.647654 O\n0.272069 0.919723 0.352346 O\n0.182623 0.330277 0.852346 O\n0.477931 0.330277 0.147654 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"V",
"O"
],
"chemical_system": "O-Sc-V",
"density": 3.47795891613625,
"density_atomic": 0.05855800189869237,
"volume": 341.5417082468214,
"volume_molar": 10.284061212366057,
"formula_full": "Sc4 V8 O8",
"formula_reduced": "ScV2O2",
"formula_anonymous": "AB2C2",
"energy": -160.78933334,
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"updated_at": "2021-11-28T01:35:21.802000Z",
"spacegroup": 141
}
]
}