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{
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{
"id": "jvasp-110297",
"created_at": "2022-09-04T14:38:14.766861Z",
"updated_at": "2022-09-04T14:38:14.766885Z",
"structure_string": "Li4 C1 O4\n1.0\n4.152988 0.278402 1.801763\n-1.276476 3.961745 1.801763\n0.137219 0.202269 5.077968\nLi C O\n4 1 4\ndirect\n0.737704 0.737704 0.071634 Li\n0.537633 0.037318 0.472105 Li\n0.037318 0.537634 0.472105 Li\n0.327278 0.327278 0.891774 Li\n0.031442 0.031442 0.484624 C\n0.752203 0.106576 0.689089 O\n0.106576 0.752204 0.689089 O\n0.949992 0.949993 0.275146 O\n0.321774 0.321774 0.275801 O\n",
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{
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"created_at": "2022-09-04T14:38:18.158622Z",
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"structure_string": "Cr1 Fe3 B2\n1.0\n4.031597 0.031220 3.030213\n2.449400 3.213977 1.042242\n-0.009326 0.018759 4.072454\nCr Fe B\n1 3 2\ndirect\n0.157922 0.842078 0.157922 Cr\n0.835926 0.164073 0.835926 Fe\n0.662031 0.661219 0.338780 Fe\n0.338781 0.337969 0.662031 Fe\n0.752668 0.747332 0.752668 B\n0.252669 0.247331 0.252668 B\n",
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{
"id": "jvasp-108734",
"created_at": "2022-09-04T14:38:19.160571Z",
"updated_at": "2022-09-04T14:38:19.160601Z",
"structure_string": "Ta1 Tl3 Se2 S2\n1.0\n6.513932 0.165117 4.361279\n3.372008 5.641188 2.284049\n-0.057927 0.100961 6.645328\nTa Tl Se S\n1 3 2 2\ndirect\n0.010647 -0.010647 -0.010647 Ta\n0.463104 0.036896 0.036896 Tl\n0.963104 0.536896 0.536896 Tl\n0.518397 0.481603 0.481603 Tl\n0.006411 0.640551 -0.006411 Se\n0.359449 -0.006411 0.640551 Se\n0.011084 -0.011084 0.332199 S\n0.667800 0.332200 -0.011084 S\n",
"nsites": 8,
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"chemical_system": "S-Se-Ta-Tl",
"density": 6.976069720490648,
"density_atomic": 0.03307461741274412,
"volume": 241.87732544768565,
"volume_molar": 18.207741256228662,
"formula_full": "Ta1 Tl3 Se2 S2",
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"formula_anonymous": "AB2C2D3",
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"spacegroup": 42
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{
"id": "jvasp-119413",
"created_at": "2022-09-04T14:38:32.731689Z",
"updated_at": "2022-09-04T14:38:32.731728Z",
"structure_string": "W3 O10\n1.0\n6.909328 -0.048531 2.811119\n4.837707 4.909352 2.567509\n0.016934 -0.040527 5.378628\nW O\n3 10\ndirect\n0.527921 0.972079 0.527921 W\n0.027921 0.472080 0.027920 W\n0.945776 0.054223 0.945777 W\n0.718319 0.707027 0.292973 O\n0.292973 0.281681 0.718319 O\n0.711304 0.075561 0.280440 O\n0.280440 0.932694 0.711304 O\n0.067306 0.719560 0.924440 O\n0.924439 0.288696 0.067305 O\n0.757572 0.742428 0.757572 O\n0.257572 0.242428 0.257572 O\n0.234243 0.765757 0.234242 O\n0.724221 0.275779 0.724222 O\n",
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"elements": [
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"chemical_system": "O-W",
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"volume": 183.63957325890715,
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"formula_full": "W3 O10",
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{
"id": "jvasp-54754",
"created_at": "2022-09-04T14:38:33.691120Z",
"updated_at": "2022-09-04T14:38:33.691140Z",
"structure_string": "Te1 H6 O6\n1.0\n3.806852 4.437569 0.000000\n0.000000 4.437569 3.689214\n3.806852 0.000000 3.689214\nTe H O\n1 6 6\ndirect\n0.021162 0.978838 0.978837 Te\n0.144042 0.372613 0.855958 H\n0.225030 0.774970 0.434083 H\n0.544707 0.455294 0.228855 H\n0.771145 0.228856 0.455293 H\n0.627387 0.855959 0.372612 H\n0.565917 0.434084 0.774969 H\n0.272609 0.727391 0.727390 O\n0.228867 0.207937 0.771133 O\n0.269592 0.730408 0.244693 O\n0.740334 0.259667 0.259666 O\n0.792063 0.771134 0.207936 O\n0.755307 0.244694 0.730407 O\n",
"nsites": 13,
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"density": 3.059351097413444,
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"volume": 124.64502689941483,
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"formula_full": "Te1 H6 O6",
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{
"id": "jvasp-110537",
"created_at": "2022-09-04T14:38:39.257183Z",
"updated_at": "2022-09-04T14:38:39.257207Z",
"structure_string": "Ta3 Co2 Mo1\n1.0\n4.832128 0.007577 3.685027\n2.946635 3.829077 1.231941\n0.000522 -0.001058 4.916968\nTa Co Mo\n3 2 1\ndirect\n0.841442 0.158558 0.841443 Ta\n0.660195 0.660400 0.339602 Ta\n0.339600 0.339804 0.660197 Ta\n0.749739 0.750261 0.749741 Co\n0.249740 0.250260 0.249740 Co\n0.159279 0.840720 0.159281 Mo\n",
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"volume": 90.85431368778758,
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{
"id": "jvasp-114474",
"created_at": "2022-09-04T14:38:41.194573Z",
"updated_at": "2022-09-04T14:38:41.194612Z",
"structure_string": "B3 Br1\n1.0\n5.809787 -0.083660 0.334647\n-0.491706 -3.570709 0.430866\n-0.210501 1.997979 -3.024219\nB Br\n3 1\ndirect\n0.921179 0.085131 0.883954 B\n0.921165 0.511741 0.457284 B\n0.104954 0.389816 0.761883 B\n0.367853 0.020577 0.392471 Br\n",
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"spacegroup": 42
},
{
"id": "jvasp-115483",
"created_at": "2022-09-04T14:38:45.879569Z",
"updated_at": "2022-09-04T14:38:45.879603Z",
"structure_string": "B3 I1\n1.0\n3.740955 0.256818 -0.073957\n2.548595 -2.723064 0.396018\n0.544360 0.621472 -5.857522\nB I\n3 1\ndirect\n0.801716 0.983886 0.745060 B\n0.674964 0.683769 0.571559 B\n0.374818 0.556977 0.745058 B\n0.320321 0.038449 0.280562 I\n",
"nsites": 4,
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"density": 4.239377371072448,
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"formula_full": "B3 I1",
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"spacegroup": 42
},
{
"id": "jvasp-110967",
"created_at": "2022-09-04T14:38:48.685380Z",
"updated_at": "2022-09-04T14:38:48.685395Z",
"structure_string": "Tl2 Cu2 Sn1 Te4\n1.0\n6.810576 -0.031379 5.122545\n4.048096 5.482164 1.856029\n-0.004087 0.008157 6.978574\nTl Cu Sn Te\n2 2 1 4\ndirect\n0.499067 0.000933 0.000933 Tl\n0.999068 0.500933 0.500933 Tl\n0.515448 0.484553 0.703349 Cu\n0.296652 0.703349 0.484552 Cu\n0.990118 0.009882 0.009883 Sn\n0.930807 0.069193 0.440402 Te\n0.559599 0.440401 0.069193 Te\n0.431526 0.918279 0.568474 Te\n0.081721 0.568475 0.918279 Te\n",
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{
"id": "jvasp-117218",
"created_at": "2022-09-04T14:38:49.427263Z",
"updated_at": "2022-09-04T14:38:49.427278Z",
"structure_string": "Cu12 As4 S13\n1.0\n8.295095 -0.016881 -2.924073\n-4.092740 7.213131 -2.925967\n0.001375 0.006012 8.870421\nCu As S\n12 4 13\ndirect\n0.749363 0.494974 0.249707 Cu\n0.752422 0.252420 0.500069 Cu\n0.499729 0.245274 0.750349 Cu\n0.252436 0.752424 0.500039 Cu\n0.245356 0.499734 0.750427 Cu\n0.494944 0.749306 0.249634 Cu\n0.240527 0.044129 0.240473 Cu\n0.765376 0.765421 -0.000008 Cu\n0.043555 0.240270 0.240309 Cu\n0.803559 -0.000036 0.759761 Cu\n0.210746 0.210606 -0.000886 Cu\n0.000110 0.803769 0.759759 Cu\n0.529430 -0.000016 0.000003 As\n0.470155 0.470076 0.469927 As\n0.000232 0.000195 0.530101 As\n-0.000011 0.529399 -0.000031 As\n0.763309 0.523116 0.521272 S\n0.480496 0.003665 0.242087 S\n0.513622 0.513612 0.757022 S\n0.003638 0.480522 0.242081 S\n0.523026 0.763199 0.521166 S\n0.477459 0.240418 -0.000012 S\n0.001870 0.242091 0.478926 S\n0.761565 0.238357 0.757937 S\n0.756596 0.756610 0.242962 S\n0.238398 0.761581 0.757946 S\n0.242053 0.001869 0.478808 S\n0.240384 0.477345 -0.000018 S\n0.986038 0.986063 0.000184 S\n",
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"created_at": "2022-09-04T14:38:50.314548Z",
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"structure_string": "V10 Si3 Ge3\n1.0\n7.081371 -0.002399 6.294962\n5.638036 4.287014 0.813439\n-0.001418 0.004213 7.108400\nV Si Ge\n10 3 3\ndirect\n0.769014 0.422648 0.577351 V\n0.229583 0.579498 0.420500 V\n0.729639 0.924693 0.075305 V\n0.267932 0.073662 0.926337 V\n0.924695 0.729636 0.270362 V\n0.073664 0.267931 0.732068 V\n0.422650 0.769012 0.230986 V\n0.579500 0.229582 0.770417 V\n0.754156 0.250170 0.245844 V\n0.250172 0.754155 0.749828 V\n0.665528 0.665526 0.334473 Si\n0.164404 0.834710 0.165288 Si\n0.834712 0.164402 0.835597 Si\n0.249776 0.249776 0.250224 Ge\n0.749777 0.749775 0.750223 Ge\n0.334810 0.334809 0.665190 Ge\n",
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{
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"created_at": "2022-09-04T14:38:53.262210Z",
"updated_at": "2022-09-04T14:38:53.262241Z",
"structure_string": "B2 I1\n1.0\n6.914507 0.214363 -1.231224\n1.422366 -3.876704 -0.058189\n-1.702104 -1.879266 -1.863623\nB I\n2 1\ndirect\n0.388821 0.271015 0.673449 B\n0.456441 0.203095 0.274983 B\n0.925373 0.918033 0.886247 I\n",
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}
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}