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{
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"results": [
{
"id": "jvasp-26772",
"created_at": "2022-09-04T14:38:14.741582Z",
"updated_at": "2022-09-04T14:38:14.741617Z",
"structure_string": "Rb16 Zn8 O16\n1.0\n0.000000 9.570366 0.091825\n6.338679 0.000000 0.000000\n0.000000 -7.784902 -14.051340\nRb Zn O\n16 8 16\ndirect\n0.683821 0.583240 0.762041 Rb\n0.683821 0.916760 0.262041 Rb\n0.564856 0.437374 0.119768 Rb\n0.860511 0.822785 0.528272 Rb\n0.922858 0.138495 0.163937 Rb\n0.316179 0.083240 0.737958 Rb\n0.860511 0.677215 0.028272 Rb\n0.564856 0.062626 0.619768 Rb\n0.435144 0.937374 0.380231 Rb\n0.435144 0.562626 0.880231 Rb\n0.316179 0.416760 0.237958 Rb\n0.139490 0.322785 0.971727 Rb\n0.077142 0.861505 0.836062 Rb\n0.077142 0.638495 0.336062 Rb\n0.922859 0.361505 0.663937 Rb\n0.139489 0.177215 0.471727 Rb\n0.412316 0.946826 0.040193 Zn\n0.758087 0.377641 0.368392 Zn\n0.587685 0.053174 0.959807 Zn\n0.241913 0.622359 0.631608 Zn\n0.758087 0.122359 0.868392 Zn\n0.587685 0.446826 0.459807 Zn\n0.241913 0.877641 0.131608 Zn\n0.412316 0.553174 0.540193 Zn\n0.255076 0.778982 0.529429 O\n0.384906 0.106500 0.142493 O\n0.142002 0.689026 0.702159 O\n0.615095 0.893500 0.857507 O\n0.142002 0.810974 0.202159 O\n0.744924 0.278982 0.970571 O\n0.363121 0.134145 0.926695 O\n0.615095 0.606500 0.357507 O\n0.384906 0.393500 0.642493 O\n0.255076 0.721018 0.029429 O\n0.857999 0.310974 0.297841 O\n0.857999 0.189026 0.797841 O\n0.744924 0.221018 0.470571 O\n0.636880 0.865856 0.073305 O\n0.363120 0.365855 0.426695 O\n0.636880 0.634145 0.573305 O\n",
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"spacegroup": 14
},
{
"id": "jvasp-24278",
"created_at": "2022-09-04T14:38:28.944881Z",
"updated_at": "2022-09-04T14:38:28.944905Z",
"structure_string": "Ag8 Te8 O24\n1.0\n0.000000 6.544170 -0.002898\n7.020671 0.000000 0.000000\n0.000000 -0.176010 -13.424607\nAg Te O\n8 8 24\ndirect\n0.480165 0.171259 0.077513 Ag\n0.480165 0.328741 0.577513 Ag\n0.545369 0.437176 0.820710 Ag\n0.519835 0.671259 0.422487 Ag\n0.454631 0.562824 0.179290 Ag\n0.545369 0.062824 0.320710 Ag\n0.519835 0.828741 0.922487 Ag\n0.454631 0.937176 0.679290 Ag\n0.135278 0.154389 0.858294 Te\n0.008757 0.864709 0.408491 Te\n0.135278 0.345611 0.358294 Te\n0.008757 0.635291 0.908491 Te\n0.864722 0.654389 0.641706 Te\n0.864722 0.845611 0.141706 Te\n0.991243 0.135291 0.591509 Te\n0.991243 0.364709 0.091509 Te\n0.807313 0.855144 0.301081 O\n0.422312 0.353636 0.362571 O\n0.162165 0.318461 0.518860 O\n0.192687 0.144856 0.698919 O\n0.827534 0.945229 0.662604 O\n0.195406 0.829467 0.865966 O\n0.837835 0.818461 0.981141 O\n0.162165 0.181539 0.018860 O\n0.839858 0.415301 0.963820 O\n0.422312 0.146364 0.862572 O\n0.172466 0.445229 0.837396 O\n0.577688 0.646364 0.637429 O\n0.807313 0.644856 0.801082 O\n0.172466 0.054771 0.337396 O\n0.804594 0.329467 0.634035 O\n0.195406 0.670533 0.365965 O\n0.192687 0.355144 0.198919 O\n0.577688 0.853636 0.137429 O\n0.804594 0.170533 0.134035 O\n0.839858 0.084699 0.463820 O\n0.837835 0.681539 0.481141 O\n0.160142 0.915301 0.536180 O\n0.827534 0.554771 0.162604 O\n0.160142 0.584699 0.036180 O\n",
"nsites": 40,
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"elements": [
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"O"
],
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"density": 6.105248927880432,
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"formula_full": "Ag8 Te8 O24",
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},
{
"id": "jvasp-20340",
"created_at": "2022-09-04T14:38:28.932920Z",
"updated_at": "2022-09-04T14:38:28.932954Z",
"structure_string": "Ca24 N16\n1.0\n9.316271 -0.000000 -3.293799\n-4.658135 8.068127 -3.293799\n0.000000 0.000000 9.881397\nCa N\n24 16\ndirect\n0.455735 0.463207 0.227522 Ca\n0.228213 0.272478 0.735684 Ca\n0.036793 0.492529 0.764316 Ca\n0.492529 0.764316 0.036793 Ca\n0.735684 0.228213 0.272478 Ca\n0.007471 0.044265 0.271787 Ca\n0.463207 0.227522 0.455736 Ca\n0.963207 0.507471 0.235684 Ca\n0.271787 0.007471 0.044265 Ca\n0.771787 0.727522 0.264316 Ca\n0.772478 0.544265 0.536793 Ca\n0.544264 0.536793 0.772478 Ca\n0.235684 0.963208 0.507471 Ca\n0.727522 0.264316 0.771787 Ca\n0.955735 0.728213 0.992529 Ca\n0.507471 0.235684 0.963207 Ca\n0.264316 0.771787 0.727522 Ca\n0.728213 0.992530 0.955736 Ca\n0.227522 0.455736 0.463207 Ca\n0.536793 0.772478 0.544265 Ca\n0.764316 0.036793 0.492529 Ca\n0.272478 0.735684 0.228213 Ca\n0.044264 0.271787 0.007471 Ca\n0.992529 0.955736 0.728213 Ca\n0.039570 0.750000 0.789570 N\n0.789570 0.039570 0.750000 N\n0.460430 0.250000 0.710430 N\n0.710430 0.460430 0.250000 N\n0.750000 0.789570 0.039570 N\n0.750000 0.289570 0.539570 N\n0.960430 0.250000 0.210430 N\n0.539570 0.750000 0.289570 N\n0.289570 0.539570 0.750000 N\n0.250000 0.210430 0.960430 N\n-0.000000 0.500000 -0.000000 N\n0.500000 0.000000 -0.000000 N\n-0.000000 -0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.210430 0.960431 0.250000 N\n0.250000 0.710430 0.460430 N\n",
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"elements": [
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"density_atomic": 0.05385509598386222,
"volume": 742.7337983388995,
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"formula_full": "Ca24 N16",
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},
{
"id": "jvasp-24288",
"created_at": "2022-09-04T14:38:20.530643Z",
"updated_at": "2022-09-04T14:38:20.530656Z",
"structure_string": "Er4 Te10 O26\n1.0\n6.912572 -0.019428 0.010383\n2.247174 8.314130 0.009521\n0.539385 0.014602 10.508749\nEr Te O\n4 10 26\ndirect\n0.553561 0.531001 0.180379 Er\n0.998915 0.736121 0.238310 Er\n0.446439 0.468999 0.819621 Er\n0.001085 0.263878 0.761689 Er\n0.127407 0.346487 0.105778 Te\n0.290786 0.882182 0.970498 Te\n0.434726 0.909370 0.304609 Te\n0.727281 0.605472 0.521075 Te\n0.841901 0.196784 0.366525 Te\n0.565274 0.090630 0.695391 Te\n0.709214 0.117817 0.029502 Te\n0.272719 0.394527 0.478925 Te\n0.158099 0.803216 0.633475 Te\n0.872593 0.653513 0.894222 Te\n0.761758 0.502779 0.813526 O\n0.468561 0.673505 -0.001532 O\n0.538552 0.810626 0.487473 O\n0.942699 0.179633 0.964031 O\n0.345875 0.991664 0.123841 O\n0.936181 0.981595 0.312368 O\n0.063819 0.018405 0.687632 O\n0.687846 0.262008 0.710697 O\n0.531438 0.326495 0.001532 O\n0.670081 0.777867 0.223206 O\n0.238242 0.497220 0.186474 O\n0.668216 0.259997 0.229122 O\n0.312155 0.737992 0.289302 O\n0.932490 0.732879 0.718057 O\n0.339731 0.511763 0.615118 O\n0.329919 0.222133 0.776794 O\n0.067511 0.267121 0.281943 O\n0.461448 0.189373 0.512527 O\n0.331784 0.740003 0.770878 O\n0.876747 0.511688 0.106837 O\n0.057301 0.820367 0.035969 O\n0.654125 0.008335 0.876159 O\n0.042039 0.350166 0.563759 O\n0.660270 0.488237 0.384882 O\n0.123253 0.488312 0.893163 O\n0.957962 0.649833 0.436240 O\n",
"nsites": 40,
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"elements": [
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],
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"volume": 604.3705654077669,
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"formula_full": "Er4 Te10 O26",
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},
{
"id": "jvasp-20827",
"created_at": "2022-09-04T14:38:29.780381Z",
"updated_at": "2022-09-04T14:38:29.780417Z",
"structure_string": "Pr6 Sb10 O24\n1.0\n9.091650 -0.000000 -3.214384\n-4.545825 7.873600 -3.214384\n0.000000 0.000000 9.643151\nPr Sb O\n6 10 24\ndirect\n0.500000 0.250000 0.750000 Pr\n0.500000 0.750000 0.250001 Pr\n0.250000 0.750000 0.500000 Pr\n0.750000 0.500000 0.250001 Pr\n0.250000 0.500000 0.750000 Pr\n0.750000 0.250000 0.500000 Pr\n0.277642 0.277642 0.000000 Sb\n0.722358 0.722358 0.000001 Sb\n0.000000 0.722358 0.722358 Sb\n0.000000 0.277642 0.277642 Sb\n0.722358 0.000000 0.722358 Sb\n0.508283 0.508282 0.508283 Sb\n0.491718 0.000000 0.000000 Sb\n0.000000 0.491718 0.000000 Sb\n-0.000000 -0.000000 0.491718 Sb\n0.277642 0.000000 0.277642 Sb\n0.486937 0.289493 0.000000 O\n0.289493 0.486937 0.000000 O\n0.000000 0.289493 0.486937 O\n0.000000 0.486937 0.289493 O\n0.196689 0.196689 0.724683 O\n0.486937 0.000000 0.289493 O\n0.472006 0.275317 0.472006 O\n0.275317 0.472006 0.472006 O\n0.000000 0.527994 0.803311 O\n0.527994 -0.000000 0.803311 O\n0.803311 0.000000 0.527994 O\n0.196689 0.724683 0.196689 O\n0.724683 0.196689 0.196689 O\n0.710507 0.197444 0.710507 O\n0.000000 0.803311 0.527994 O\n0.527994 0.803311 0.000001 O\n0.472006 0.472006 0.275318 O\n0.197444 0.710507 0.710507 O\n0.513063 0.513063 0.802556 O\n0.513063 0.802556 0.513063 O\n0.289493 -0.000000 0.486937 O\n0.802556 0.513063 0.513063 O\n0.803311 0.527994 0.000001 O\n0.710507 0.710507 0.197445 O\n",
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"formula_full": "Pr6 Sb10 O24",
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},
{
"id": "jvasp-22903",
"created_at": "2022-09-04T14:38:29.279037Z",
"updated_at": "2022-09-04T14:38:29.279062Z",
"structure_string": "K4 Hf4 Pd4 F28\n1.0\n6.267455 0.000000 0.000000\n-0.000000 8.917744 0.000000\n0.000000 0.000000 10.636579\nK Hf Pd F\n4 4 4 28\ndirect\n0.266078 0.000000 0.250000 K\n0.233922 0.500000 0.250000 K\n0.733923 0.000000 0.750000 K\n0.766078 0.500000 0.750000 K\n0.750001 0.750000 0.404927 Hf\n0.750001 0.250000 0.095073 Hf\n0.250000 0.250000 0.595073 Hf\n0.250000 0.750000 0.904927 Hf\n0.750001 0.750000 0.089087 Pd\n0.750001 0.250000 0.410913 Pd\n0.250000 0.750000 0.589087 Pd\n0.250000 0.250000 0.910913 Pd\n0.418849 0.677335 0.736898 F\n0.581152 0.677335 0.236898 F\n0.081151 0.177336 0.763102 F\n0.081151 0.822664 0.736898 F\n0.418849 0.322664 0.763102 F\n0.390620 0.053586 0.612680 F\n0.609381 0.946413 0.387320 F\n0.890621 0.553586 0.387320 F\n0.890621 0.446413 0.112680 F\n0.390620 0.946413 0.887320 F\n0.581152 0.322664 0.263102 F\n0.609381 0.053586 0.112680 F\n0.918849 0.177336 0.263102 F\n0.439651 0.664695 0.451502 F\n0.750001 0.750000 0.589983 F\n0.750001 0.250000 0.910018 F\n0.250000 0.250000 0.410018 F\n0.250000 0.750000 0.089982 F\n0.109380 0.446413 0.612680 F\n0.439651 0.335305 0.048498 F\n0.060349 0.164695 0.048498 F\n0.060349 0.835304 0.451502 F\n0.560350 0.335305 0.548498 F\n0.560350 0.664695 0.951502 F\n0.939651 0.835304 0.951502 F\n0.939651 0.164695 0.548498 F\n0.918849 0.822664 0.236898 F\n0.109380 0.553586 0.887320 F\n",
"nsites": 40,
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"elements": [
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},
{
"id": "jvasp-22950",
"created_at": "2022-09-04T14:38:07.995021Z",
"updated_at": "2022-09-04T14:38:07.995033Z",
"structure_string": "Lu12 O8 F20\n1.0\n5.223608 -0.000000 0.000000\n0.000000 5.504654 0.000000\n0.000000 0.000000 16.805387\nLu O F\n12 8 20\ndirect\n0.538656 0.173535 0.902840 Lu\n0.038656 0.326464 0.097160 Lu\n0.961345 0.673535 0.597160 Lu\n0.461344 0.826464 0.402840 Lu\n0.461344 0.826464 0.097160 Lu\n0.961345 0.673535 0.902840 Lu\n0.038656 0.326464 0.402840 Lu\n0.538656 0.173535 0.597160 Lu\n0.956700 0.239298 0.750000 Lu\n0.456700 0.260702 0.250000 Lu\n0.543301 0.739298 0.750000 Lu\n0.043300 0.760701 0.250000 Lu\n0.299264 0.537002 0.168476 O\n0.799264 0.962997 0.831524 O\n0.799264 0.962997 0.668476 O\n0.200737 0.037003 0.331524 O\n0.700737 0.462997 0.831524 O\n0.200737 0.037003 0.168476 O\n0.700737 0.462997 0.668476 O\n0.299264 0.537002 0.331524 O\n0.217213 0.615889 0.486278 F\n0.717213 0.884110 0.513722 F\n0.717213 0.884110 0.986278 F\n0.217213 0.615889 0.013722 F\n0.782788 0.384110 0.513722 F\n0.282787 0.115889 0.486278 F\n0.641669 0.888703 0.250000 F\n0.358331 0.111296 0.750000 F\n0.858331 0.388703 0.250000 F\n0.673653 0.163917 0.374618 F\n0.326348 0.836082 0.874618 F\n0.141669 0.611296 0.750000 F\n0.826348 0.663917 0.125382 F\n0.173652 0.336082 0.874618 F\n0.673653 0.163917 0.125382 F\n0.326348 0.836082 0.625383 F\n0.826348 0.663917 0.374618 F\n0.782788 0.384110 0.986278 F\n0.173652 0.336082 0.625383 F\n0.282787 0.115889 0.013722 F\n",
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"volume": 483.22469711463367,
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"formula_full": "Lu12 O8 F20",
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"spacegroup": 62
},
{
"id": "jvasp-22954",
"created_at": "2022-09-04T14:38:20.087384Z",
"updated_at": "2022-09-04T14:38:20.087404Z",
"structure_string": "Li12 Ga4 Ge4 O20\n1.0\n4.980660 0.000000 0.000000\n0.000000 5.480020 0.000000\n0.000000 0.000000 15.849888\nLi Ga Ge O\n12 4 4 20\ndirect\n0.492236 0.324509 0.403187 Li\n0.492120 0.329016 0.803034 Li\n0.992120 0.670984 0.196966 Li\n0.992120 0.170984 0.303034 Li\n0.494944 0.339427 0.995464 Li\n0.994944 0.660573 0.004536 Li\n0.492120 0.829016 0.696966 Li\n0.494944 0.839427 0.504536 Li\n0.492236 0.824509 0.096813 Li\n0.992236 0.175491 0.903187 Li\n0.992236 0.675491 0.596814 Li\n0.994944 0.160573 0.495464 Li\n0.492167 0.831747 0.299455 Ga\n0.492167 0.331747 0.200545 Ga\n0.992167 0.668253 0.799455 Ga\n0.992167 0.168253 0.700545 Ga\n0.498194 0.339893 0.595928 Ge\n0.998194 0.660107 0.404072 Ge\n0.998194 0.160107 0.095928 Ge\n0.498194 0.839893 0.904073 Ge\n0.597648 0.656242 0.204231 O\n0.097648 0.343757 0.795769 O\n0.113171 0.818857 0.308029 O\n0.613171 0.181143 0.691971 O\n0.613171 0.681143 0.808029 O\n0.113171 0.318857 0.191971 O\n0.102757 0.355528 0.397971 O\n0.602757 0.644472 0.602029 O\n0.602757 0.144472 0.897972 O\n0.102757 0.855527 0.102029 O\n0.604198 0.177927 0.507037 O\n0.604198 0.677927 0.992963 O\n0.104198 0.322073 0.007037 O\n0.632563 0.177464 0.104420 O\n0.132563 0.322536 0.604420 O\n0.132563 0.822536 0.895580 O\n0.597648 0.156242 0.295769 O\n0.632563 0.677464 0.395580 O\n0.104198 0.822073 0.492963 O\n0.097648 0.843757 0.704232 O\n",
"nsites": 40,
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"elements": [
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],
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"volume": 432.6086882081817,
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"formula_full": "Li12 Ga4 Ge4 O20",
"formula_reduced": "Li3GaGeO5",
"formula_anonymous": "ABC3D5",
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"spacegroup": 33
},
{
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{
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{
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{
"id": "jvasp-5677",
"created_at": "2022-09-04T14:36:45.389458Z",
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}