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{
"id": "jvasp-26728",
"created_at": "2022-09-04T14:37:55.171024Z",
"updated_at": "2022-09-04T14:37:55.171048Z",
"structure_string": "Rb1 Au1 S2 O8\n1.0\n-4.237159 0.002262 0.020615\n1.357309 4.787682 0.005396\n-0.216746 -1.985650 -8.651590\nRb Au S O\n1 1 2 8\ndirect\n-0.000000 0.500000 -0.000000 Rb\n0.000000 -0.000000 0.500000 Au\n0.546732 0.123843 0.263779 S\n0.453268 0.876156 0.736220 S\n0.539291 0.630756 0.765399 O\n0.317183 0.040739 0.862748 O\n0.682818 0.959260 0.137251 O\n0.217777 0.754522 0.591657 O\n0.782224 0.245477 0.408342 O\n0.247746 0.901765 0.308658 O\n0.752255 0.098234 0.691341 O\n0.460710 0.369243 0.234600 O\n",
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{
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"updated_at": "2022-09-04T14:37:53.986787Z",
"structure_string": "K4 Cu4 S4\n1.0\n5.346375 0.000000 0.000000\n0.000000 6.149025 0.000000\n0.000000 0.000000 10.616790\nK Cu S\n4 4 4\ndirect\n0.248758 0.524257 0.154938 K\n0.748759 0.024256 0.345062 K\n0.248758 0.975745 0.654938 K\n0.748759 0.475744 0.845062 K\n0.998584 0.000026 -0.000015 Cu\n0.998584 0.499974 0.499985 Cu\n0.498583 0.500027 0.500015 Cu\n0.498583 -0.000026 0.000015 Cu\n0.248658 0.229701 0.910044 S\n0.248658 0.270299 0.410044 S\n0.748659 0.770300 0.089957 S\n0.748659 0.729701 0.589957 S\n",
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{
"id": "jvasp-23372",
"created_at": "2022-09-04T14:37:35.824314Z",
"updated_at": "2022-09-04T14:37:35.824335Z",
"structure_string": "Ca2 In8 Pd2\n1.0\n4.377666 0.000000 -1.174476\n0.000000 7.606844 -0.000000\n-0.005424 -0.000000 8.725537\nCa In Pd\n2 8 2\ndirect\n0.870550 0.250000 0.741098 Ca\n0.129452 0.750000 0.258902 Ca\n0.682140 0.047332 0.364278 In\n0.317861 0.952668 0.635723 In\n0.317861 0.547331 0.635723 In\n0.682140 0.452668 0.364278 In\n0.063110 0.250000 0.126219 In\n0.936892 0.750000 0.873781 In\n0.500000 0.000000 -0.000000 In\n0.500000 0.500000 -0.000000 In\n0.224992 0.250000 0.449982 Pd\n0.775010 0.750000 0.550019 Pd\n",
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{
"id": "jvasp-29070",
"created_at": "2022-09-04T14:37:35.668632Z",
"updated_at": "2022-09-04T14:37:35.668650Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.386506 -0.000001 0.000003\n-1.693253 2.932802 -0.000012\n0.000036 -0.000123 36.128433\nTe Mo W Se\n2 2 2 6\ndirect\n0.333326 0.666651 0.334992 Te\n0.333330 0.666656 0.230188 Te\n0.333332 0.666641 0.091134 Mo\n0.333340 0.666690 0.474080 Mo\n0.666662 0.333321 0.282589 W\n0.666671 0.333348 0.655111 W\n0.333339 0.666685 0.701047 Se\n0.666659 0.333292 0.045420 Se\n0.666677 0.333361 0.428282 Se\n0.666668 0.333316 0.136941 Se\n0.666679 0.333365 0.519844 Se\n0.333337 0.666676 0.609121 Se\n",
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"volume": 358.8257856699297,
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"spacegroup": 156
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{
"id": "jvasp-14253",
"created_at": "2022-09-04T14:37:40.058244Z",
"updated_at": "2022-09-04T14:37:40.058267Z",
"structure_string": "K1 Al1 S2 O8\n1.0\n2.501893 -4.333405 -0.000000\n2.501893 4.333405 0.000000\n-0.000000 -0.000000 7.425868\nK Al S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Al\n0.333332 0.666667 0.278552 S\n0.666667 0.333332 0.721449 S\n0.172850 0.827031 0.346634 O\n0.654178 0.827148 0.346634 O\n0.172969 0.345821 0.346634 O\n0.345821 0.172969 0.653366 O\n0.666667 0.333332 0.916223 O\n0.333332 0.666667 0.083777 O\n0.827148 0.654178 0.653366 O\n0.827031 0.172850 0.653366 O\n",
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"elements": [
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"spacegroup": 164
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{
"id": "jvasp-23399",
"created_at": "2022-09-04T14:37:45.911849Z",
"updated_at": "2022-09-04T14:37:45.911872Z",
"structure_string": "Dy4 Si4 Ir4\n1.0\n4.256934 0.000000 0.000000\n0.000000 6.880138 0.000000\n0.000000 0.000000 7.413052\nDy Si Ir\n4 4 4\ndirect\n0.749999 0.501160 0.812982 Dy\n0.250000 0.998840 0.312982 Dy\n0.749999 0.001160 0.687018 Dy\n0.250000 0.498840 0.187018 Dy\n0.250000 0.799531 0.892704 Si\n0.250000 0.299530 0.607296 Si\n0.749999 0.200470 0.107296 Si\n0.749999 0.700470 0.392704 Si\n0.250000 0.659876 0.571100 Ir\n0.250000 0.159876 0.928900 Ir\n0.749999 0.840125 0.071100 Ir\n0.749999 0.340125 0.428900 Ir\n",
"nsites": 12,
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"volume": 217.115641794156,
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"formula_full": "Dy4 Si4 Ir4",
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{
"id": "jvasp-28687",
"created_at": "2022-09-04T14:37:54.035364Z",
"updated_at": "2022-09-04T14:37:54.035389Z",
"structure_string": "Te4 Mo4 Se2 S2\n1.0\n3.406218 0.000000 0.000000\n-1.703108 2.949880 0.000053\n0.000000 0.000408 37.220349\nTe Mo Se S\n4 4 2 2\ndirect\n0.333322 0.666645 0.326357 Te\n0.666648 0.333296 0.421883 Te\n0.666632 0.333262 0.522661 Te\n0.333343 0.666689 0.225512 Te\n0.333392 0.666784 0.097201 Mo\n0.333303 0.666606 0.472290 Mo\n0.666669 0.333339 0.275964 Mo\n0.666637 0.333274 0.657503 Mo\n0.333293 0.666587 0.701713 Se\n0.333307 0.666615 0.613214 Se\n0.666733 0.333466 0.056886 S\n0.666721 0.333440 0.137564 S\n",
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{
"id": "jvasp-20267",
"created_at": "2022-09-04T14:37:46.540674Z",
"updated_at": "2022-09-04T14:37:46.540684Z",
"structure_string": "Ba8 Sn4\n1.0\n5.664589 0.000000 0.000000\n0.000000 8.625424 0.000000\n0.000000 0.000000 10.658381\nBa Sn\n8 4\ndirect\n0.750000 0.842166 0.079491 Ba\n0.250000 0.157834 0.920509 Ba\n0.750000 0.342166 0.420509 Ba\n0.250000 0.657833 0.579491 Ba\n0.750000 0.979144 0.681735 Ba\n0.250000 0.020855 0.318265 Ba\n0.750000 0.479145 0.818265 Ba\n0.250000 0.520855 0.181735 Ba\n0.750000 0.753703 0.397453 Sn\n0.250000 0.246297 0.602547 Sn\n0.750000 0.253703 0.102547 Sn\n0.250000 0.746296 0.897453 Sn\n",
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{
"id": "jvasp-22279",
"created_at": "2022-09-04T14:37:40.795711Z",
"updated_at": "2022-09-04T14:37:40.795739Z",
"structure_string": "Ba1 Al9 Fe2\n1.0\n4.006231 -6.938996 -0.000000\n4.006231 6.938996 -0.000000\n-0.000000 0.000000 3.961777\nBa Al Fe\n1 9 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 -0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.216133 0.432265 0.500000 Al\n0.783867 0.216133 0.500000 Al\n0.432265 0.216133 0.500000 Al\n0.567735 0.783867 0.500000 Al\n0.216133 0.783867 0.500000 Al\n0.783867 0.567735 0.500000 Al\n0.666667 0.333333 0.000000 Fe\n0.333333 0.666667 0.000000 Fe\n",
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{
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"created_at": "2022-09-04T14:37:36.187991Z",
"updated_at": "2022-09-04T14:37:36.188015Z",
"structure_string": "Te4 Mo4 Se2 S2\n1.0\n3.407850 0.000000 0.000000\n-1.703924 2.951152 0.005223\n-0.000000 -0.050083 27.130330\nTe Mo Se S\n4 4 2 2\ndirect\n0.332878 0.665756 0.812388 Te\n0.666909 0.333815 -0.056389 Te\n0.666959 0.333914 0.081919 Te\n0.332844 0.665685 0.674126 Te\n0.333588 0.667176 0.012734 Mo\n0.333715 0.667428 0.489118 Mo\n0.666492 0.332982 0.257802 Mo\n0.666205 0.332409 0.743259 Mo\n0.667043 0.334083 0.428407 Se\n0.667070 0.334138 0.549821 Se\n0.333164 0.666328 0.313089 S\n0.333142 0.666285 0.202475 S\n",
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{
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}