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{
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{
"id": "jvasp-19889",
"created_at": "2022-09-04T14:36:08.056660Z",
"updated_at": "2022-09-04T14:36:08.056676Z",
"structure_string": "Nb1 C1\n1.0\n2.766375 -0.000000 1.597167\n0.922125 2.608163 1.597167\n-0.000000 -0.000000 3.194335\nNb C\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.499999 0.500000 C\n",
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{
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{
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"structure_string": "Te8 Au4\n1.0\n0.000000 8.953603 0.102672\n4.409969 0.000000 0.000000\n0.000000 -5.863055 -8.527900\nTe Au\n8 4\ndirect\n0.935162 0.023036 0.364329 Te\n0.935162 0.976964 0.864329 Te\n0.558741 0.023207 0.883137 Te\n0.558741 0.976793 0.383137 Te\n0.058112 0.435985 0.636090 Te\n0.058112 0.564015 0.136090 Te\n0.435789 0.564033 0.111377 Te\n0.435789 0.435967 0.611377 Te\n0.746948 0.480900 0.623736 Au\n0.746948 0.519100 0.123736 Au\n0.246950 -0.000012 0.373732 Au\n0.246950 0.000012 0.873732 Au\n",
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"volume": 334.0704077764207,
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"formula_full": "Te8 Au4",
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{
"id": "jvasp-14974",
"created_at": "2022-09-04T14:35:58.908381Z",
"updated_at": "2022-09-04T14:35:58.908405Z",
"structure_string": "Ta5 Sb4\n1.0\n3.491584 -0.000000 0.854476\n1.745792 7.323859 0.427238\n0.004839 -0.000000 7.541168\nTa Sb\n5 4\ndirect\n0.625371 0.060217 0.689041 Ta\n0.314411 0.310960 0.060217 Ta\n0.685588 0.689040 0.939784 Ta\n0.374628 0.939783 0.310961 Ta\n0.000000 0.000000 0.000000 Ta\n0.704060 0.241722 0.350157 Sb\n0.054217 0.649844 0.241722 Sb\n0.945782 0.350156 0.758279 Sb\n0.295938 0.758278 0.649844 Sb\n",
"nsites": 9,
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"elements": [
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"density": 11.986340778290662,
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"volume": 192.81147670813073,
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"formula_full": "Ta5 Sb4",
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"formula_anonymous": "A4B5",
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"spacegroup": 87
},
{
"id": "jvasp-95419",
"created_at": "2022-09-04T14:36:03.575858Z",
"updated_at": "2022-09-04T14:36:03.575878Z",
"structure_string": "Ge8 Br16\n1.0\n6.833658 0.000000 -1.426226\n0.000000 8.063279 0.000000\n0.318048 0.000000 12.921432\nGe Br\n8 16\ndirect\n0.750042 0.874892 -0.000010 Ge\n0.749959 0.374892 0.000009 Ge\n0.249959 0.125108 0.000009 Ge\n0.250041 0.625108 -0.000009 Ge\n0.749933 0.624899 0.500112 Ge\n0.750068 0.124899 0.499887 Ge\n0.250068 0.375101 0.499887 Ge\n0.249932 0.875101 0.500112 Ge\n0.626054 0.375183 0.627889 Br\n0.873947 0.875183 0.372111 Br\n0.374046 0.874727 0.872125 Br\n0.125954 0.374727 0.127875 Br\n0.625954 0.125273 0.127875 Br\n0.874047 0.625273 0.872125 Br\n0.126077 0.875010 0.127915 Br\n0.125991 0.624988 0.627907 Br\n0.873923 0.124990 0.872085 Br\n0.626078 0.624990 0.127915 Br\n0.126053 0.124817 0.627889 Br\n0.374009 0.124988 0.372093 Br\n0.874009 0.375012 0.372093 Br\n0.625992 0.875012 0.627907 Br\n0.373923 0.375010 0.872085 Br\n0.373947 0.624817 0.372111 Br\n",
"nsites": 24,
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"elements": [
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"chemical_system": "Br-Ge",
"density": 4.314833340087135,
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"volume": 715.6503244136738,
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"formula_full": "Ge8 Br16",
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{
"id": "jvasp-38226",
"created_at": "2022-09-04T14:36:07.715022Z",
"updated_at": "2022-09-04T14:36:07.715047Z",
"structure_string": "Mn2 Sn6\n1.0\n3.199216 -5.541206 -0.000000\n3.199216 5.541206 -0.000000\n-0.000000 0.000000 5.506910\nMn Sn\n2 6\ndirect\n0.333333 0.666668 0.750000 Mn\n0.666668 0.333333 0.250000 Mn\n0.657855 0.828929 0.250000 Sn\n0.171073 0.828929 0.250000 Sn\n0.171072 0.342146 0.250000 Sn\n0.342146 0.171072 0.750000 Sn\n0.828929 0.171073 0.750000 Sn\n0.828929 0.657855 0.750000 Sn\n",
"nsites": 8,
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"volume": 195.24765809529796,
"volume_molar": 14.697611001377972,
"formula_full": "Mn2 Sn6",
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"spacegroup": 194
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{
"id": "jvasp-86784",
"created_at": "2022-09-04T14:35:58.916372Z",
"updated_at": "2022-09-04T14:35:58.916396Z",
"structure_string": "Ag8 Se4\n1.0\n4.550779 0.000000 0.000000\n0.000000 7.085736 0.000000\n0.000000 0.000000 7.543539\nAg Se\n8 4\ndirect\n0.007591 0.231252 0.876522 Ag\n0.697952 0.878446 0.948006 Ag\n0.492409 0.768749 0.376522 Ag\n0.197952 0.621555 0.051994 Ag\n0.802049 0.121554 0.448006 Ag\n0.992409 0.731252 0.623478 Ag\n0.302049 0.378446 0.551994 Ag\n0.507591 0.268748 0.123478 Ag\n0.878966 0.492906 0.329166 Se\n0.121034 0.992906 0.170834 Se\n0.378966 0.007095 0.670834 Se\n0.621034 0.507095 0.829166 Se\n",
"nsites": 12,
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"elements": [
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"density": 8.047075326670086,
"density_atomic": 0.04933275771975212,
"volume": 243.24608140029792,
"volume_molar": 12.207184512591766,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
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"spacegroup": 19
},
{
"id": "jvasp-93387",
"created_at": "2022-09-04T14:35:53.618144Z",
"updated_at": "2022-09-04T14:35:53.618170Z",
"structure_string": "Mn2 Ge4\n1.0\n-1.925415 -3.787392 -2.391282\n0.018633 0.036652 4.875254\n-2.807655 3.787392 -1.241986\nMn Ge\n2 4\ndirect\n0.750001 0.750001 0.000001 Mn\n0.250000 0.250000 0.000000 Mn\n0.344739 0.155260 0.500000 Ge\n0.844740 0.344740 0.189479 Ge\n0.155261 0.655260 0.810521 Ge\n0.655262 0.844739 0.500001 Ge\n",
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"volume": 86.97892975150407,
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},
{
"id": "jvasp-92171",
"created_at": "2022-09-04T14:35:48.963247Z",
"updated_at": "2022-09-04T14:35:48.963276Z",
"structure_string": "V4 Ir4\n1.0\n-2.780097 0.000000 0.000000\n0.000000 -3.585377 -5.596491\n0.000000 -3.585377 5.596491\nV Ir\n4 4\ndirect\n0.500000 0.647774 0.352227 V\n0.500000 0.374862 0.625138 V\n0.500000 0.874887 0.125114 V\n0.500000 0.101980 0.898021 V\n0.000000 0.479286 0.983967 Ir\n0.000000 0.016034 0.520715 Ir\n0.000000 0.270487 0.266309 Ir\n0.000000 0.733692 0.729513 Ir\n",
"nsites": 8,
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"elements": [
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"volume": 111.56824013615667,
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"spacegroup": 65
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{
"id": "jvasp-16227",
"created_at": "2022-09-04T14:35:49.214144Z",
"updated_at": "2022-09-04T14:35:49.214175Z",
"structure_string": "Y2 Si2\n1.0\n3.858121 0.000000 0.000000\n-0.000000 3.973298 -1.604645\n0.000000 -0.006660 5.705020\nY Si\n2 2\ndirect\n0.250000 0.859654 0.719309 Y\n0.750000 0.140346 0.280692 Y\n0.250000 0.577386 0.154773 Si\n0.750000 0.422614 0.845228 Si\n",
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{
"id": "jvasp-86169",
"created_at": "2022-09-04T14:36:07.257267Z",
"updated_at": "2022-09-04T14:36:07.257282Z",
"structure_string": "Ag8 Se4\n1.0\n4.598337 0.000000 0.000000\n0.000000 7.292260 0.000000\n0.000000 0.000000 7.716819\nAg Se\n8 4\ndirect\n0.005171 0.099535 0.249974 Ag\n0.994829 0.099535 0.750027 Ag\n0.500000 0.610951 0.000000 Ag\n0.494829 0.900465 0.249974 Ag\n0.000000 0.389049 0.000000 Ag\n0.000000 0.389019 0.500000 Ag\n0.505172 0.900465 0.750027 Ag\n0.500000 0.610981 0.500000 Ag\n0.521134 0.293558 0.250002 Se\n0.478867 0.293558 0.749998 Se\n0.021133 0.706442 0.749998 Se\n0.978867 0.706442 0.250002 Se\n",
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{
"id": "jvasp-92318",
"created_at": "2022-09-04T14:35:48.822457Z",
"updated_at": "2022-09-04T14:35:48.822482Z",
"structure_string": "Mg3 Sb3\n1.0\n3.858050 0.000000 0.000000\n-1.929024 3.341170 -0.000000\n-0.000000 -0.000000 11.910174\nMg Sb\n3 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.333333 Mg\n0.333334 0.666667 0.666667 Mg\n0.333334 0.666667 0.166667 Sb\n0.000000 0.000000 0.500000 Sb\n0.666667 0.333333 0.833333 Sb\n",
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}