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{
"id": "jvasp-28827",
"created_at": "2022-09-04T14:38:34.380384Z",
"updated_at": "2022-09-04T14:38:34.380412Z",
"structure_string": "W4 Se2 S6\n1.0\n3.225604 0.000000 0.000000\n-1.612802 2.793531 0.005920\n0.000000 0.065340 30.615741\nW Se S\n4 2 6\ndirect\n0.331949 0.663897 0.068193 W\n0.334444 0.668889 0.476316 W\n0.668211 0.336424 0.271312 W\n0.665292 0.330585 0.687107 W\n0.330796 0.661593 0.743272 Se\n0.333460 0.666922 0.630884 Se\n0.333585 0.667173 0.322399 S\n0.666476 0.332953 0.017132 S\n0.669050 0.338102 0.425235 S\n0.664373 0.328747 0.119288 S\n0.666456 0.332913 0.527393 S\n0.335901 0.671804 0.220217 S\n",
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{
"id": "jvasp-29174",
"created_at": "2022-09-04T14:38:34.449792Z",
"updated_at": "2022-09-04T14:38:34.449809Z",
"structure_string": "Mo1 W3 Se6 S2\n1.0\n3.291698 -0.000000 -0.000000\n-1.645848 2.850664 0.000025\n-0.000000 0.000266 34.447399\nMo W Se S\n1 3 6 2\ndirect\n0.333233 0.666467 0.095021 Mo\n0.333336 0.666671 0.467011 W\n0.666653 0.333305 0.280914 W\n0.666779 0.333556 0.659974 W\n0.333438 0.666879 0.709147 Se\n0.666568 0.333135 0.046131 Se\n0.666660 0.333319 0.417795 Se\n0.666556 0.333110 0.143958 Se\n0.666671 0.333342 0.516235 Se\n0.333457 0.666915 0.610741 Se\n0.333323 0.666644 0.325693 S\n0.333327 0.666654 0.236129 S\n",
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"volume": 323.23802924802817,
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"formula_full": "Mo1 W3 Se6 S2",
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"formula_anonymous": "AB2C3D6",
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"spacegroup": 156
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{
"id": "jvasp-20796",
"created_at": "2022-09-04T14:38:34.475299Z",
"updated_at": "2022-09-04T14:38:34.475325Z",
"structure_string": "Pr8 Au4\n1.0\n5.090713 0.000000 0.000000\n0.000000 7.352033 0.000000\n0.000000 0.000000 9.412431\nPr Au\n8 4\ndirect\n0.250000 0.992988 0.324267 Pr\n0.750000 0.007012 0.675733 Pr\n0.250000 0.492988 0.175733 Pr\n0.750000 0.507012 0.824267 Pr\n0.750000 0.152136 0.086039 Pr\n0.250000 0.847864 0.913961 Pr\n0.750000 0.652136 0.413961 Pr\n0.250000 0.347864 0.586039 Pr\n0.250000 0.759081 0.596747 Au\n0.750000 0.240918 0.403253 Au\n0.250000 0.259082 0.903253 Au\n0.750000 0.740918 0.096747 Au\n",
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"elements": [
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"density": 9.027321668210805,
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"volume": 352.2799018689838,
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"formula_full": "Pr8 Au4",
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"spacegroup": 62
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{
"id": "jvasp-119101",
"created_at": "2022-09-04T14:38:34.505629Z",
"updated_at": "2022-09-04T14:38:34.505656Z",
"structure_string": "Er4 Te4 As4\n1.0\n4.057643 -0.000000 0.000000\n0.000000 7.496349 0.000000\n0.000000 -0.000000 9.854697\nEr Te As\n4 4 4\ndirect\n0.250000 0.733155 0.841863 Er\n0.749999 0.266845 0.158137 Er\n0.749999 0.766845 0.341863 Er\n0.250000 0.233155 0.658137 Er\n0.250000 0.582881 0.149018 Te\n0.749999 0.417119 0.850983 Te\n0.749999 0.917119 0.649018 Te\n0.250000 0.082881 0.350982 Te\n0.250000 0.599517 0.540338 As\n0.749999 0.400484 0.459662 As\n0.749999 0.900484 0.040338 As\n0.250000 0.099516 0.959662 As\n",
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"volume": 299.7553252825482,
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"formula_full": "Er4 Te4 As4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "jvasp-12363",
"created_at": "2022-09-04T14:38:34.515655Z",
"updated_at": "2022-09-04T14:38:34.515672Z",
"structure_string": "Sr4 Ca4 Pb4\n1.0\n5.191215 -0.000000 0.000000\n0.000000 8.433141 0.000000\n0.000000 0.000000 9.623409\nSr Ca Pb\n4 4 4\ndirect\n0.750001 0.979378 0.683178 Sr\n0.250000 0.020622 0.316823 Sr\n0.750001 0.479378 0.816823 Sr\n0.250000 0.520622 0.183178 Sr\n0.750001 0.850118 0.071641 Ca\n0.250000 0.149881 0.928359 Ca\n0.750001 0.350119 0.428359 Ca\n0.250000 0.649881 0.571641 Ca\n0.750001 0.736325 0.392109 Pb\n0.250000 0.263675 0.607891 Pb\n0.750001 0.236325 0.107891 Pb\n0.250000 0.763675 0.892109 Pb\n",
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"density": 5.280004845477282,
"density_atomic": 0.02848353743880338,
"volume": 421.2959863493743,
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"formula_full": "Sr4 Ca4 Pb4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "jvasp-11396",
"created_at": "2022-09-04T14:38:34.536480Z",
"updated_at": "2022-09-04T14:38:34.536516Z",
"structure_string": "Sr4 Mg4 Si4\n1.0\n4.597113 0.000000 0.000000\n0.000000 7.802468 0.000000\n0.000000 0.000000 8.481038\nSr Mg Si\n4 4 4\ndirect\n0.250000 0.014401 0.184141 Sr\n0.250000 0.514401 0.315859 Sr\n0.749999 0.485599 0.684141 Sr\n0.749999 0.985599 0.815859 Sr\n0.749999 0.355198 0.065163 Mg\n0.250000 0.644802 0.934837 Mg\n0.749999 0.855198 0.434837 Mg\n0.250000 0.144802 0.565163 Mg\n0.749999 0.218843 0.391249 Si\n0.250000 0.281157 0.891249 Si\n0.250000 0.781158 0.608752 Si\n0.749999 0.718843 0.108752 Si\n",
"nsites": 12,
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"volume": 304.2048854375201,
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"formula_full": "Sr4 Mg4 Si4",
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{
"id": "jvasp-32820",
"created_at": "2022-09-04T14:38:34.541281Z",
"updated_at": "2022-09-04T14:38:34.541313Z",
"structure_string": "Sn4 I4 Cl4\n1.0\n4.404704 0.000000 0.000000\n0.000000 8.532576 0.000000\n0.000000 0.000000 10.186893\nSn I Cl\n4 4 4\ndirect\n0.749999 0.647439 0.851797 Sn\n0.250000 0.352561 0.148203 Sn\n0.749999 0.147439 0.648202 Sn\n0.250000 0.852562 0.351797 Sn\n0.749999 0.991876 0.169252 I\n0.250000 0.508124 0.669252 I\n0.749999 0.491876 0.330747 I\n0.250000 0.008124 0.830747 I\n0.250000 0.645798 0.053007 Cl\n0.749999 0.854203 0.553007 Cl\n0.250000 0.145797 0.446993 Cl\n0.749999 0.354203 0.946993 Cl\n",
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"volume": 382.858804139788,
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{
"id": "jvasp-26249",
"created_at": "2022-09-04T14:38:34.536122Z",
"updated_at": "2022-09-04T14:38:34.536146Z",
"structure_string": "Ga6 Te6\n1.0\n4.143298 -0.000000 0.000000\n-2.071649 8.513650 -2.171211\n0.000000 0.041204 10.575395\nGa Te\n6 6\ndirect\n0.136297 0.272595 0.417897 Ga\n0.863702 0.727405 0.582103 Ga\n0.239995 0.479990 0.299481 Ga\n0.760005 0.520010 0.700519 Ga\n0.563075 0.126152 0.081963 Ga\n0.436924 0.873848 0.918036 Ga\n0.156610 0.313220 0.049241 Te\n0.843390 0.686779 0.950759 Te\n0.158897 0.317794 0.677983 Te\n0.841103 0.682205 0.322017 Te\n0.538943 0.077887 0.327490 Te\n0.461057 0.922113 0.672509 Te\n",
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"volume": 373.413382445524,
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"formula_full": "Ga6 Te6",
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"spacegroup": 12
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{
"id": "jvasp-20859",
"created_at": "2022-09-04T14:38:34.539174Z",
"updated_at": "2022-09-04T14:38:34.539199Z",
"structure_string": "Ag2 Te8 Au2\n1.0\n0.000000 9.014416 0.054644\n4.502062 0.000000 0.000000\n0.000000 -5.753913 -8.551847\nAg Te Au\n2 8 2\ndirect\n0.500001 0.488826 0.750001 Ag\n0.500001 0.511173 0.250000 Ag\n0.808673 0.412507 0.546832 Te\n0.191328 0.412507 0.953169 Te\n0.299523 0.971914 0.297005 Te\n0.700478 0.971914 0.202996 Te\n0.700479 0.028085 0.702996 Te\n0.299523 0.028085 0.797005 Te\n0.808673 0.587492 0.046832 Te\n0.191328 0.587492 0.453169 Te\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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},
{
"id": "jvasp-21813",
"created_at": "2022-09-04T14:38:34.612805Z",
"updated_at": "2022-09-04T14:38:34.612831Z",
"structure_string": "Ca1 Mg2 Ni9\n1.0\n4.641987 -0.000264 6.915318\n2.105583 4.136976 6.915318\n-0.000429 -0.000264 8.328846\nCa Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Ca\n0.857054 0.857057 0.857055 Mg\n0.142945 0.142945 0.142945 Mg\n0.586576 0.081699 0.586576 Ni\n0.586576 0.586578 0.081698 Ni\n0.081697 0.586578 0.586577 Ni\n0.918301 0.413425 0.413423 Ni\n0.413423 0.918304 0.413424 Ni\n0.413423 0.413425 0.918302 Ni\n0.499999 0.500001 0.500000 Ni\n0.666524 0.666527 0.666525 Ni\n0.333474 0.333476 0.333475 Ni\n",
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{
"id": "jvasp-119104",
"created_at": "2022-09-04T14:38:34.612571Z",
"updated_at": "2022-09-04T14:38:34.612599Z",
"structure_string": "Dy3 Fe2 Si7\n1.0\n12.433539 -0.004142 0.000000\n-11.778127 3.983545 0.000000\n0.000000 0.000000 4.094022\nDy Fe Si\n3 2 7\ndirect\n0.097743 0.902259 0.500000 Dy\n0.468367 0.531635 0.500000 Dy\n0.783056 0.216946 -0.000000 Dy\n0.655604 0.344397 -0.000000 Fe\n0.910504 0.089498 -0.000000 Fe\n0.373080 0.626922 -0.000000 Si\n0.563086 0.436916 -0.000000 Si\n0.873421 0.126581 0.500000 Si\n0.003025 0.996977 -0.000000 Si\n0.193032 0.806970 -0.000000 Si\n0.283101 0.716901 0.500000 Si\n0.692690 0.307311 0.500000 Si\n",
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}