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{
"id": "jvasp-112568",
"created_at": "2022-09-04T14:38:41.500361Z",
"updated_at": "2022-09-04T14:38:41.500382Z",
"structure_string": "Tm6 Si6 Ni2\n1.0\n5.198519 -0.011168 1.789154\n3.553730 3.794170 1.789154\n-0.033599 -0.014523 13.371922\nTm Si Ni\n6 6 2\ndirect\n0.468803 0.468803 0.380467 Tm\n0.531197 0.531197 0.619532 Tm\n0.601139 0.601138 0.078756 Tm\n0.398861 0.398862 0.921243 Tm\n0.252170 0.252170 0.227484 Tm\n0.747830 0.747830 0.772515 Tm\n0.954991 0.954990 0.235888 Si\n0.045009 0.045010 0.764111 Si\n0.883289 0.883288 0.075845 Si\n0.116711 0.116712 0.924154 Si\n0.863183 0.863183 0.543244 Si\n0.136816 0.136817 0.456755 Si\n0.751167 0.751166 0.400358 Ni\n0.248833 0.248834 0.599642 Ni\n",
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{
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"structure_string": "Tm4 Sn4 O14\n1.0\n6.358168 0.000000 3.670890\n2.119389 5.994539 3.670890\n0.000000 0.000000 7.341781\nTm Sn O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 -0.000000 0.500000 Tm\n0.500000 0.500000 -0.000000 Tm\n0.000000 0.000000 0.000000 Sn\n-0.000000 -0.000000 0.500000 Sn\n0.500000 -0.000000 -0.000000 Sn\n0.000000 0.500000 -0.000000 Sn\n0.091827 0.658173 0.091827 O\n0.658173 0.091827 0.658173 O\n0.658173 0.091827 0.091827 O\n0.625000 0.625000 0.625000 O\n0.908173 0.341827 0.341827 O\n0.341827 0.908173 0.341827 O\n0.341827 0.341827 0.908173 O\n0.908173 0.908173 0.341827 O\n0.908173 0.341827 0.908173 O\n0.091827 0.658173 0.658173 O\n0.341827 0.908173 0.908173 O\n0.375000 0.375000 0.375000 O\n0.658173 0.658173 0.091827 O\n0.091827 0.091827 0.658173 O\n",
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{
"id": "jvasp-40521",
"created_at": "2022-09-04T14:37:43.747355Z",
"updated_at": "2022-09-04T14:37:43.747377Z",
"structure_string": "La2 Ag1 Ru1\n1.0\n0.000000 3.672808 3.672808\n3.672808 0.000000 3.672808\n3.672808 3.672808 -0.000000\nLa Ag Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500001 0.500001 La\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ru\n",
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"formula_full": "La2 Ag1 Ru1",
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"spacegroup": 225
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{
"id": "jvasp-105775",
"created_at": "2022-09-04T14:36:08.940665Z",
"updated_at": "2022-09-04T14:36:08.940692Z",
"structure_string": "Ho5 Mg1\n1.0\n5.346592 0.004785 3.691314\n1.939638 4.982356 3.691314\n0.006991 0.004785 6.497061\nHo Mg\n5 1\ndirect\n0.500000 0.159948 0.840051 Ho\n0.159949 0.840051 0.499999 Ho\n0.840051 0.499999 0.159949 Ho\n0.332959 0.332958 0.332958 Ho\n0.667042 0.667041 0.667041 Ho\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 6,
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{
"id": "jvasp-74338",
"created_at": "2022-09-04T14:36:17.658068Z",
"updated_at": "2022-09-04T14:36:17.658096Z",
"structure_string": "Li1 Be2 Pt1\n1.0\n2.864403 0.000000 0.000000\n0.000000 2.864403 0.000000\n0.000000 -0.000000 5.459433\nLi Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.489274 Li\n0.000000 0.000000 0.006587 Be\n0.499999 0.499999 0.221026 Be\n0.499999 0.499999 0.783111 Pt\n",
"nsites": 4,
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{
"id": "jvasp-21044",
"created_at": "2022-09-04T14:38:29.278119Z",
"updated_at": "2022-09-04T14:38:29.278183Z",
"structure_string": "U4 Pd2 S8\n1.0\n6.358517 -0.026152 -2.216259\n-2.532367 5.832542 -2.216259\n0.036270 0.055042 7.774085\nU Pd S\n4 2 8\ndirect\n0.526437 0.128187 0.945869 U\n0.182318 0.580567 0.054130 U\n0.378188 0.276436 0.445869 U\n0.830567 0.932318 0.554129 U\n0.254359 0.754359 0.499999 Pd\n0.004359 0.004359 -0.000000 Pd\n0.556007 0.495356 0.253990 S\n0.241365 0.302016 0.746009 S\n0.745356 0.306007 0.753990 S\n0.552016 0.991365 0.246009 S\n0.587552 0.745254 0.725694 S\n0.019560 0.861858 0.274305 S\n0.111858 0.769560 0.774305 S\n0.995255 0.337553 0.225694 S\n",
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"spacegroup": 43
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{
"id": "jvasp-17965",
"created_at": "2022-09-04T14:37:27.545108Z",
"updated_at": "2022-09-04T14:37:27.545128Z",
"structure_string": "Mn2 Ni2 Ge2\n1.0\n2.039687 -3.532841 -0.000000\n2.039687 3.532841 0.000000\n-0.000000 -0.000000 5.261919\nMn Ni Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666668 0.750000 Ni\n0.666668 0.333334 0.250000 Ni\n0.666668 0.333334 0.750000 Ge\n0.333334 0.666668 0.250000 Ge\n",
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"volume": 75.83361754055446,
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"formula_full": "Mn2 Ni2 Ge2",
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},
{
"id": "jvasp-50236",
"created_at": "2022-09-04T14:37:01.351423Z",
"updated_at": "2022-09-04T14:37:01.351447Z",
"structure_string": "Ce2 Pr2 O4\n1.0\n-2.518750 2.518750 5.021631\n2.518750 -2.518750 5.021631\n2.518750 2.518750 -5.021631\nCe Pr O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ce\n0.250000 0.750000 0.500000 Ce\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500000 Pr\n0.254049 0.254049 0.000000 O\n0.495951 0.995951 0.500000 O\n0.745951 0.745951 0.000000 O\n0.004049 0.504049 0.500000 O\n",
"nsites": 8,
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"density": 8.157924176319984,
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"volume": 127.43094829359374,
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"formula_full": "Ce2 Pr2 O4",
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"formula_anonymous": "ABC2",
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},
{
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"created_at": "2022-09-04T14:37:51.748822Z",
"updated_at": "2022-09-04T14:37:51.748847Z",
"structure_string": "Li1 La2 Ir1\n1.0\n-0.000000 3.647898 3.647898\n3.647898 0.000000 3.647898\n3.647898 3.647898 0.000000\nLi La Ir\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.250001 0.250001 0.250001 Ir\n",
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{
"id": "jvasp-37646",
"created_at": "2022-09-04T14:38:04.457235Z",
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"structure_string": "Sc1 H4 Pd3\n1.0\n4.216342 0.000000 0.000000\n-0.000000 4.216342 -0.000000\n-0.000000 -0.000000 4.216342\nSc H Pd\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
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},
{
"id": "jvasp-20368",
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"structure_string": "Ho1 Sb1\n1.0\n3.770459 0.000000 2.176875\n1.256819 3.554822 2.176875\n0.000000 0.000000 4.353751\nHo Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500001 Sb\n",
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{
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}