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{
"id": "jvasp-106299",
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"structure_string": "Nd3 Mg3 Tl3\n1.0\n7.720482 0.000000 -0.000000\n-3.860241 6.686133 -0.000000\n-0.000000 -0.000000 4.725377\nNd Mg Tl\n3 3 3\ndirect\n0.575378 0.000000 0.000000 Nd\n-0.000000 0.575378 0.000000 Nd\n0.424622 0.424622 0.000000 Nd\n0.243503 0.000000 0.500000 Mg\n-0.000000 0.243503 0.500000 Mg\n0.756497 0.756497 0.500000 Mg\n0.333333 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
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"structure_string": "Ca1 Au2 F12\n1.0\n6.070440 0.000000 0.000000\n0.000000 6.070440 0.000000\n0.000000 -0.000000 6.619071\nCa Au F\n1 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.239416 Au\n0.000000 0.500000 0.760584 Au\n0.000000 0.500000 0.053718 F\n0.500000 0.000000 0.946282 F\n0.000000 0.500000 0.470670 F\n0.256064 0.207412 0.227442 F\n0.207412 0.743936 0.772558 F\n0.792588 0.256064 0.772558 F\n0.743936 0.792588 0.227442 F\n0.743936 0.207412 0.227442 F\n0.207412 0.256064 0.772558 F\n0.792588 0.743936 0.772558 F\n0.256064 0.792588 0.227442 F\n0.500000 0.000000 0.529330 F\n",
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{
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"updated_at": "2022-09-04T14:37:28.305198Z",
"structure_string": "Bi4 O8\n1.0\n6.659668 -0.005704 -0.008672\n-3.324183 6.198740 -0.006719\n-3.323182 -1.842897 5.918855\nBi O\n4 8\ndirect\n0.499971 0.000020 0.499972 Bi\n0.500070 0.000100 0.000015 Bi\n0.999926 0.999926 0.499975 Bi\n0.000111 0.500015 0.500099 Bi\n0.448632 0.189219 0.708170 O\n0.478523 0.787880 0.712204 O\n0.021543 0.787788 0.712192 O\n0.051262 0.791701 0.310782 O\n0.948669 0.208156 0.689221 O\n0.978436 0.212119 0.287793 O\n0.521645 0.212297 0.287894 O\n0.551220 0.810786 0.291688 O\n",
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"elements": [
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"volume": 243.91292766974186,
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{
"id": "jvasp-23044",
"created_at": "2022-09-04T14:38:33.011026Z",
"updated_at": "2022-09-04T14:38:33.011058Z",
"structure_string": "Sr2 Ni8 Sn4\n1.0\n6.442073 0.024926 -2.230795\n-3.258519 5.557245 -2.230795\n-0.014216 -0.024926 6.817370\nSr Ni Sn\n2 8 4\ndirect\n0.750000 0.750000 -0.000001 Sr\n0.250000 0.250000 -0.000000 Sr\n0.526118 0.297777 0.499999 Ni\n0.026119 0.526119 0.228341 Ni\n0.297776 0.797776 0.771656 Ni\n0.797776 0.026119 0.499999 Ni\n0.202222 0.973880 0.499998 Ni\n0.973880 0.473881 0.771656 Ni\n0.473880 0.702222 0.499999 Ni\n0.702223 0.202223 0.228341 Ni\n0.839522 0.660477 0.499999 Sn\n0.660476 0.160477 0.820954 Sn\n0.339522 0.839522 0.179043 Sn\n0.160476 0.339522 0.499999 Sn\n",
"nsites": 14,
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{
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"created_at": "2022-09-04T14:36:43.783129Z",
"updated_at": "2022-09-04T14:36:43.783155Z",
"structure_string": "Mn1 In2 Te4\n1.0\n5.714013 0.029494 -5.106894\n-1.124722 5.602304 -5.106894\n-0.024034 -0.029494 7.663533\nMn In Te\n1 2 4\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.828338 0.385407 0.981803 Te\n0.403604 0.846534 0.018197 Te\n0.153466 0.171663 0.557070 Te\n0.614593 0.596395 0.442931 Te\n",
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"formula_full": "Mn1 In2 Te4",
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{
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"created_at": "2022-09-04T14:35:58.934468Z",
"updated_at": "2022-09-04T14:35:58.934481Z",
"structure_string": "Np2 Te6\n1.0\n-4.394856 0.000000 0.000000\n0.000000 -0.000000 -4.390883\n2.197428 -12.636939 0.000000\nNp Te\n2 6\ndirect\n0.168677 0.750000 0.337353 Np\n0.831324 0.250000 0.662648 Np\n0.926449 0.750000 0.852899 Te\n0.073551 0.250000 0.147101 Te\n0.573865 0.750000 0.147729 Te\n0.426136 0.250000 0.852271 Te\n0.296290 0.750000 0.592578 Te\n0.703710 0.250000 0.407422 Te\n",
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},
{
"id": "jvasp-91302",
"created_at": "2022-09-04T14:36:03.324477Z",
"updated_at": "2022-09-04T14:36:03.324503Z",
"structure_string": "Pr4 In2 Pd4\n1.0\n3.915877 -0.000000 0.000000\n-0.000000 7.891371 0.000000\n0.000000 -0.000000 7.891371\nPr In Pd\n4 2 4\ndirect\n0.500000 0.824437 0.324437 Pr\n0.500000 0.675563 0.824437 Pr\n0.500000 0.324437 0.175563 Pr\n0.500000 0.175563 0.675563 Pr\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.126506 0.373494 Pd\n0.000000 0.373494 0.873494 Pd\n0.000000 0.626506 0.126506 Pd\n0.000000 0.873494 0.626506 Pd\n",
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"volume": 243.85629152319424,
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"formula_full": "Pr4 In2 Pd4",
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{
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"created_at": "2022-09-04T14:36:05.417324Z",
"updated_at": "2022-09-04T14:36:05.417352Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n0.000000 4.447063 -0.026703\n4.784250 0.000000 0.000000\n0.000000 -4.276171 -11.435905\nLi V O F\n4 4 4 12\ndirect\n0.956736 0.746576 0.945020 Li\n0.043263 0.253424 0.054980 Li\n0.956736 0.753424 0.445020 Li\n0.043263 0.246576 0.554979 Li\n0.345405 0.275238 0.315264 V\n0.654595 0.724762 0.684735 V\n0.654595 0.775238 0.184736 V\n0.345404 0.224762 0.815264 V\n0.442523 0.435618 0.701801 O\n0.557476 0.935618 0.798198 O\n0.442523 0.064382 0.201801 O\n0.557476 0.564382 0.298198 O\n0.815990 0.907846 0.068445 F\n0.043959 0.572175 0.806449 F\n0.184009 0.092154 0.931555 F\n0.325943 0.586689 0.066873 F\n0.674057 0.086689 0.433127 F\n0.815990 0.592154 0.568444 F\n0.956040 0.072175 0.693550 F\n0.043959 0.927825 0.306449 F\n0.325943 0.913311 0.566873 F\n0.184009 0.407846 0.431555 F\n0.674057 0.413311 0.933127 F\n0.956040 0.427825 0.193550 F\n",
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"density_atomic": 0.09841913275351802,
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"formula_full": "Li4 V4 O4 F12",
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{
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"created_at": "2022-09-04T14:38:32.582150Z",
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"structure_string": "Dy4 Ni4 Sn4\n1.0\n4.474433 0.000000 0.000000\n0.000000 7.132826 0.000000\n0.000000 0.000000 7.640518\nDy Ni Sn\n4 4 4\ndirect\n0.749999 0.014300 0.701271 Dy\n0.250000 0.985701 0.298729 Dy\n0.749999 0.514300 0.798729 Dy\n0.250000 0.485700 0.201271 Dy\n0.749999 0.797841 0.084164 Ni\n0.250000 0.202159 0.915837 Ni\n0.749999 0.297841 0.415836 Ni\n0.250000 0.702159 0.584164 Ni\n0.749999 0.689651 0.412376 Sn\n0.250000 0.310350 0.587625 Sn\n0.749999 0.189650 0.087625 Sn\n0.250000 0.810350 0.912376 Sn\n",
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{
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"created_at": "2022-09-04T14:37:29.957805Z",
"updated_at": "2022-09-04T14:37:29.957823Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n5.221026 -0.010320 0.016211\n-2.410089 5.411433 -0.069452\n-0.092739 -2.219795 8.663414\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.584943 0.315628 0.964967 Li\n0.090026 0.320407 0.466431 Li\n0.912867 0.680762 0.535709 Li\n0.413364 0.682193 0.033320 Li\n0.545865 0.236631 0.295160 Mn\n0.042370 0.234676 0.791417 Mn\n0.955269 0.763331 0.206124 Mn\n0.454557 0.766369 0.707113 Fe\n0.053964 0.260180 0.129660 B\n0.448915 0.741354 0.371973 B\n0.552794 0.257985 0.630172 B\n0.944370 0.740782 0.868034 B\n0.282147 0.706899 0.491328 O\n0.623284 0.177076 0.753316 O\n0.726409 0.296544 0.514151 O\n0.816320 0.310403 0.131191 O\n0.316158 0.308592 0.629709 O\n0.127189 0.180495 0.252643 O\n0.777896 0.701574 0.986544 O\n0.222998 0.298339 0.011873 O\n0.862988 0.815696 0.745317 O\n0.684863 0.688959 0.369946 O\n0.186869 0.696583 0.865465 O\n0.373571 0.818522 0.248433 O\n",
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{
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"updated_at": "2022-09-04T14:38:08.025933Z",
"structure_string": "Li4 V2 C4 O12\n1.0\n5.244357 0.040848 0.083761\n-2.577595 -5.652878 -0.069956\n-2.487509 0.023467 -8.293953\nLi V C O\n4 2 4 12\ndirect\n0.213401 0.459738 0.167409 Li\n0.796386 0.960005 0.333312 Li\n0.509461 0.051880 0.667223 Li\n0.592335 0.552099 0.833119 Li\n0.866928 0.505880 0.500227 V\n0.116856 0.005968 0.000227 V\n0.840825 0.602948 0.199658 C\n0.391705 0.102832 0.300758 C\n-0.005727 0.908995 0.699690 C\n0.044507 0.408945 0.800780 C\n0.788145 0.908501 0.754775 O\n0.956669 0.862228 0.551582 O\n0.245821 0.954953 0.805736 O\n0.190236 0.454896 0.694788 O\n0.548958 0.149504 0.448852 O\n0.491202 0.056859 0.194627 O\n0.131101 0.103439 0.245782 O\n0.849630 0.649894 0.051529 O\n0.046565 0.556973 0.305537 O\n0.154650 0.362134 0.948895 O\n0.635365 0.603311 0.254971 O\n0.783375 0.408478 0.745609 O\n",
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{
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"created_at": "2022-09-04T14:38:07.993415Z",
"updated_at": "2022-09-04T14:38:07.993440Z",
"structure_string": "Mn6 Cr2 O16\n1.0\n2.840145 -4.919276 0.000000\n2.840145 4.919276 -0.000000\n-0.000000 -0.000000 8.725982\nMn Cr O\n6 2 16\ndirect\n0.167778 0.335555 0.211600 Mn\n0.664446 0.832223 0.211600 Mn\n0.167778 0.832223 0.211600 Mn\n0.832224 0.167778 0.711598 Mn\n0.335556 0.167778 0.711598 Mn\n0.832224 0.664445 0.711598 Mn\n0.333334 0.666668 0.491771 Cr\n0.666668 0.333334 0.991771 Cr\n0.340414 0.170207 0.099543 O\n0.666668 0.333334 0.598911 O\n0.958128 0.479064 0.838377 O\n0.520937 0.041874 0.838377 O\n0.170207 0.829795 0.599542 O\n0.829794 0.170207 0.099543 O\n0.479064 0.958128 0.338378 O\n0.000000 0.000000 0.318623 O\n0.659588 0.829795 0.599542 O\n0.000000 0.000000 0.818620 O\n0.520938 0.479064 0.838377 O\n0.333334 0.666668 0.098913 O\n0.479064 0.520937 0.338378 O\n0.170207 0.340413 0.599542 O\n0.041873 0.520937 0.338378 O\n0.829795 0.659588 0.099543 O\n",
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}
]
}