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{
"id": "mp-1244884",
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"structure_string": "Ga50 N50\n1.0\n11.227449 0.046557 -0.006495\n0.055507 11.458789 0.143490\n-0.000245 0.140929 12.156154\nGa N\n50 50\ndirect\n0.908717 0.947937 0.434172 Ga\n0.083487 0.795722 0.298691 Ga\n0.793795 0.858261 -0.001454 Ga\n0.062499 0.924959 0.809269 Ga\n0.221638 0.177780 0.129086 Ga\n0.159314 0.585794 0.829688 Ga\n0.568951 0.779177 0.819337 Ga\n0.939428 0.145870 0.252241 Ga\n0.369486 0.114782 0.698289 Ga\n0.505360 0.031083 0.074929 Ga\n0.370118 0.834022 0.587350 Ga\n0.342767 0.013914 0.892653 Ga\n0.436617 0.346156 0.178919 Ga\n0.715836 0.376107 0.230849 Ga\n0.113180 0.120229 0.481693 Ga\n0.607476 0.049364 0.879928 Ga\n0.196340 0.991825 0.646719 Ga\n0.489186 0.548871 0.862913 Ga\n0.139619 0.789771 0.567734 Ga\n0.085993 0.349074 0.491280 Ga\n0.665116 0.912265 0.417655 Ga\n0.517822 0.647424 0.588373 Ga\n0.887750 0.566878 0.308267 Ga\n0.797841 0.303354 0.831048 Ga\n0.311861 0.375746 0.579912 Ga\n0.344511 0.794134 0.813709 Ga\n0.945596 0.619825 0.091364 Ga\n0.140245 0.316522 0.287987 Ga\n0.473248 0.832637 0.294158 Ga\n0.705260 0.107462 0.151707 Ga\n0.843195 0.395294 0.657807 Ga\n0.817193 0.166012 0.568221 Ga\n0.536155 0.975603 0.638530 Ga\n0.930563 0.674480 0.540675 Ga\n0.276363 0.920153 0.119962 Ga\n0.086398 0.548447 0.632786 Ga\n0.748687 0.594278 0.692698 Ga\n0.789397 0.899418 0.674813 Ga\n0.959476 0.727279 0.812811 Ga\n0.803161 0.783997 0.214429 Ga\n0.767094 0.385212 0.446938 Ga\n0.883363 0.361022 0.077950 Ga\n0.974631 0.931194 0.101160 Ga\n0.573532 0.267554 0.692092 Ga\n0.578470 0.766115 0.083359 Ga\n0.311573 0.592686 0.646452 Ga\n0.285425 0.777951 0.391243 Ga\n0.679099 0.668266 0.447428 Ga\n0.597186 0.365400 0.960965 Ga\n0.739847 0.581606 0.951618 Ga\n0.592086 0.151359 0.375520 N\n0.326775 0.347098 0.948006 N\n0.360929 0.024390 0.387432 N\n0.774528 0.992791 0.536214 N\n0.003922 0.808209 0.456452 N\n0.846643 0.736585 0.677625 N\n0.697134 0.298036 0.586889 N\n0.588605 0.630475 0.737157 N\n0.835792 0.012040 0.215568 N\n0.334803 0.626517 0.164056 N\n0.581878 0.358342 0.123117 N\n0.588529 0.668836 0.955965 N\n0.109780 0.543956 0.393654 N\n0.824276 0.567323 0.453136 N\n0.126726 0.301044 0.735899 N\n0.901846 0.020784 0.756786 N\n0.068290 0.220802 0.176305 N\n0.675523 0.677704 0.289591 N\n0.407706 0.274158 0.669280 N\n0.871107 0.686577 0.954054 N\n0.121095 0.686583 0.057568 N\n0.173100 0.685738 0.976281 N\n0.292940 0.277824 0.892899 N\n0.122528 0.912898 0.179942 N\n0.474431 0.452403 0.335087 N\n0.330074 0.613310 0.811975 N\n0.915100 0.317245 0.528678 N\n0.445485 0.875649 0.131204 N\n0.436352 0.516387 0.394769 N\n0.091972 0.458763 0.936148 N\n0.578034 0.710501 0.237913 N\n0.976626 0.094240 0.400357 N\n0.808307 0.924280 0.299625 N\n0.201143 0.586673 0.381817 N\n0.322306 0.071871 0.055806 N\n0.959231 0.697743 0.235135 N\n0.358954 0.551408 0.111118 N\n0.027883 0.466697 0.012964 N\n0.972501 0.198981 0.930791 N\n0.847549 0.491509 0.175631 N\n0.809564 0.241172 0.173332 N\n0.517089 0.211480 0.397101 N\n0.279740 0.074591 0.356683 N\n0.090607 0.211433 0.722851 N\n0.879454 0.120887 0.730042 N\n0.636927 0.226227 0.844813 N\n0.644913 0.923883 0.762613 N\n0.032711 0.120282 0.944487 N\n0.290883 0.300998 0.210453 N\n0.769116 0.413539 0.954583 N\n",
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"elements": [
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"chemical_system": "Ga-N",
"density": 4.445846126262135,
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"volume": 1563.6667794617706,
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"formula_full": "Ga50 N50",
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"updated_at": "2021-11-28T01:36:49.103000Z",
"spacegroup": 1
},
{
"id": "mp-1182357",
"created_at": "2022-09-04T14:45:01.765215Z",
"structure_string": "B1 H12 C3 N1\n1.0\n3.537166 -4.908656 0.000000\n3.537166 4.908656 0.000000\n-3.274757 0.000000 5.087477\nB H C N\n1 12 3 1\ndirect\n0.900522 0.900522 0.900522 B\n0.307572 0.552741 0.307572 H\n0.307572 0.307572 0.552741 H\n0.552741 0.307572 0.307572 H\n0.416857 0.844422 0.599490 H\n0.599490 0.416857 0.844422 H\n0.844422 0.599490 0.416857 H\n0.599490 0.844422 0.416857 H\n0.416857 0.599490 0.844422 H\n0.844422 0.416857 0.599490 H\n0.025246 0.025246 0.818987 H\n0.818987 0.025246 0.025246 H\n0.025246 0.818987 0.025246 H\n0.479876 0.726263 0.479876 C\n0.479876 0.479876 0.726263 C\n0.726263 0.479876 0.479876 C\n0.643678 0.643678 0.643678 N\n",
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"elements": [
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],
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"formula_full": "B1 H12 C3 N1",
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{
"id": "mp-1198324",
"created_at": "2022-09-04T14:44:52.848841Z",
"structure_string": "Li8 B32 Se4 O60\n1.0\n16.486698 0.000000 0.000000\n0.000000 8.552814 0.000000\n0.000000 0.684421 8.734564\nLi B Se O\n8 32 4 60\ndirect\n0.641808 0.503143 0.138491 Li\n0.141808 0.996857 0.861509 Li\n0.358192 0.496857 0.861509 Li\n0.858192 0.003143 0.138491 Li\n0.500456 0.869393 0.619758 Li\n0.000456 0.630607 0.380242 Li\n0.499544 0.130607 0.380242 Li\n0.999544 0.369393 0.619758 Li\n0.683509 0.439223 0.472553 B\n0.183509 0.060777 0.527447 B\n0.316491 0.560777 0.527447 B\n0.816491 0.939223 0.472553 B\n0.570495 0.631176 0.409727 B\n0.070495 0.868824 0.590273 B\n0.429505 0.368824 0.590273 B\n0.929505 0.131176 0.409727 B\n0.609184 0.568759 0.673953 B\n0.109184 0.931241 0.326047 B\n0.390816 0.431241 0.326047 B\n0.890816 0.068759 0.673953 B\n0.498603 0.722053 0.160562 B\n0.998603 0.777947 0.839438 B\n0.501397 0.277947 0.839438 B\n0.001397 0.222053 0.160562 B\n0.541365 0.667196 0.906940 B\n0.041365 0.832804 0.093060 B\n0.458635 0.332804 0.093060 B\n0.958635 0.167196 0.906940 B\n0.416055 0.823264 0.938463 B\n0.916055 0.676736 0.061537 B\n0.583945 0.176736 0.061537 B\n0.083945 0.323264 0.938463 B\n0.320438 0.040020 0.893590 B\n0.820438 0.459980 0.106410 B\n0.679562 0.959980 0.106410 B\n0.179562 0.540020 0.893590 B\n0.268067 0.778056 0.904359 B\n0.768067 0.721944 0.095641 B\n0.731933 0.221944 0.095641 B\n0.231933 0.278056 0.904359 B\n0.673846 0.101599 0.556838 Se\n0.173846 0.398401 0.443162 Se\n0.326154 0.898401 0.443162 Se\n0.826154 0.601599 0.556838 Se\n0.672439 0.274392 0.431831 O\n0.172439 0.225608 0.568169 O\n0.327561 0.725608 0.568169 O\n0.827561 0.774392 0.431831 O\n0.730110 0.981580 0.438455 O\n0.230110 0.518420 0.561545 O\n0.269890 0.018420 0.561545 O\n0.769890 0.481580 0.438455 O\n0.581619 0.030339 0.522889 O\n0.081619 0.469661 0.477111 O\n0.418381 0.969661 0.477111 O\n0.918381 0.530339 0.522889 O\n0.664691 0.463267 0.632128 O\n0.164691 0.036733 0.367872 O\n0.335309 0.536733 0.367872 O\n0.835309 0.963267 0.632128 O\n0.628989 0.532961 0.363016 O\n0.128989 0.967039 0.636984 O\n0.371011 0.467039 0.636984 O\n0.871011 0.032961 0.363016 O\n0.514210 0.707279 0.316020 O\n0.014210 0.792721 0.683980 O\n0.485790 0.292721 0.683980 O\n0.985790 0.207279 0.316020 O\n0.546760 0.633978 0.065240 O\n0.046760 0.866022 0.934760 O\n0.453240 0.366022 0.934760 O\n0.953240 0.133978 0.065240 O\n0.437222 0.810692 0.102036 O\n0.937222 0.689308 0.897964 O\n0.562778 0.189308 0.897964 O\n0.062778 0.310692 0.102036 O\n0.562333 0.657499 0.565445 O\n0.062333 0.842501 0.434555 O\n0.437667 0.342501 0.434555 O\n0.937667 0.157499 0.565445 O\n0.599023 0.590293 0.826576 O\n0.099023 0.909707 0.173424 O\n0.400977 0.409707 0.173424 O\n0.900977 0.090293 0.826576 O\n0.484309 0.766585 0.842549 O\n0.984309 0.733415 0.157451 O\n0.515691 0.233415 0.157451 O\n0.015691 0.266585 0.842549 O\n0.397163 0.986287 0.887702 O\n0.897163 0.513713 0.112298 O\n0.602837 0.013713 0.112298 O\n0.102837 0.486287 0.887702 O\n0.254496 0.937975 0.911815 O\n0.754496 0.562025 0.088185 O\n0.745504 0.062025 0.088185 O\n0.245504 0.437975 0.911815 O\n0.196647 0.697633 0.887693 O\n0.696647 0.802367 0.112307 O\n0.803353 0.302367 0.112307 O\n0.303353 0.197633 0.887693 O\n0.344132 0.717680 0.914845 O\n0.844132 0.782320 0.085155 O\n0.655868 0.282320 0.085155 O\n0.155868 0.217680 0.914845 O\n",
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"formula_full": "Li8 B32 Se4 O60",
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{
"id": "mp-1027311",
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"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n1.699505 -2.943629 0.000000\n1.699505 2.943629 0.000000\n0.000000 0.000000 38.746351\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.000000 0.000000 0.330061 Te\n0.000000 0.000000 0.706139 Te\n0.000000 0.000000 0.233447 Te\n0.000000 0.000000 0.608947 Te\n0.000000 0.000000 0.093980 Mo\n0.333333 0.666667 0.281808 Mo\n0.000000 0.000000 0.469636 W\n0.333333 0.666667 0.657540 W\n0.333333 0.666667 0.426943 Se\n0.333333 0.666667 0.512370 Se\n0.333333 0.666667 0.055148 S\n0.333333 0.666667 0.132729 S\n",
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],
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"formula_full": "Te4 Mo2 W2 Se2 S2",
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{
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"structure_string": "Sr2 H32 O20\n1.0\n4.708193 4.465946 0.000000\n-4.708193 4.465946 0.000000\n0.000000 0.218061 11.715578\nSr H O\n2 32 20\ndirect\n0.973356 0.997285 0.743078 Sr\n0.997285 0.973356 0.243078 Sr\n0.417910 0.925590 0.639406 H\n0.269971 0.838170 0.545401 H\n0.620101 0.265979 0.649603 H\n0.701438 0.148307 0.540882 H\n0.071653 0.395237 0.587692 H\n0.287616 0.402990 0.651793 H\n0.957869 0.625268 0.641004 H\n0.686560 0.590086 0.652623 H\n0.395237 0.071653 0.087692 H\n0.402990 0.287616 0.151793 H\n0.590086 0.686560 0.152623 H\n0.625268 0.957869 0.141004 H\n0.265979 0.620101 0.149603 H\n0.148307 0.701438 0.040882 H\n0.925590 0.417910 0.139406 H\n0.838170 0.269971 0.045401 H\n0.615380 0.052513 0.374741 H\n0.625371 0.292913 0.344910 H\n0.365203 0.734500 0.358412 H\n0.321122 0.979466 0.388253 H\n0.692542 0.636397 0.355139 H\n0.819287 0.705358 0.469028 H\n0.083359 0.345931 0.401637 H\n0.302527 0.368602 0.338080 H\n0.636397 0.692542 0.855139 H\n0.705358 0.819287 0.969028 H\n0.345931 0.083359 0.901637 H\n0.368602 0.302527 0.838080 H\n0.979466 0.321122 0.888253 H\n0.734500 0.365203 0.858412 H\n0.052513 0.615380 0.874741 H\n0.292913 0.625371 0.844910 H\n0.534730 0.473491 0.680610 O\n0.473491 0.534730 0.180610 O\n0.478762 0.522890 0.307424 O\n0.522890 0.478762 0.807424 O\n0.277570 0.866171 0.628370 O\n0.681240 0.129468 0.624012 O\n0.137385 0.351666 0.657504 O\n0.833881 0.695814 0.620482 O\n0.351666 0.137385 0.157504 O\n0.695814 0.833881 0.120482 O\n0.129468 0.681240 0.124012 O\n0.866171 0.277570 0.128370 O\n0.703988 0.178227 0.378823 O\n0.269650 0.835753 0.394952 O\n0.815336 0.720777 0.384119 O\n0.186005 0.262341 0.365152 O\n0.720777 0.815336 0.884119 O\n0.262341 0.186005 0.865152 O\n0.835753 0.269650 0.894952 O\n0.178227 0.703988 0.878823 O\n",
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{
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"structure_string": "K1 Sr1 La1 W1 O6\n1.0\n0.000000 -4.314628 -4.314628\n4.314628 -0.000000 -4.314628\n4.314628 -4.314628 0.000000\nK Sr La W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 -0.000000 La\n0.500000 0.500000 0.500000 W\n0.726450 0.273550 0.273550 O\n0.273550 0.726450 0.726450 O\n0.726450 0.273550 0.726450 O\n0.273550 0.726450 0.273550 O\n0.726450 0.726450 0.273550 O\n0.273550 0.273550 0.726450 O\n",
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"formula_full": "K1 Sr1 La1 W1 O6",
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{
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