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{
"id": "jvasp-116663",
"created_at": "2022-09-04T14:38:43.683175Z",
"updated_at": "2022-09-04T14:38:43.683184Z",
"structure_string": "Pr2 Mn3 Sb3 O14\n1.0\n6.334739 -0.026860 3.502028\n1.980434 6.017269 3.502028\n-0.016102 -0.011600 7.331903\nPr Mn Sb O\n2 3 3 14\ndirect\n0.500000 -0.000000 0.000000 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.434873 0.818775 0.416866 O\n0.829485 0.414446 0.825117 O\n0.414446 0.829485 0.825117 O\n0.818775 0.434873 0.416866 O\n0.825509 0.825509 0.447443 O\n0.412079 0.412079 0.848401 O\n0.181225 0.565127 0.583134 O\n0.170515 0.585554 0.174883 O\n0.585554 0.170515 0.174883 O\n0.897471 0.897472 0.855593 O\n0.174491 0.174491 0.552557 O\n0.587921 0.587921 0.151599 O\n0.565127 0.181225 0.583134 O\n0.102528 0.102528 0.144407 O\n",
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{
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"structure_string": "Cr4 S10\n1.0\n4.175841 0.000012 -0.000004\n-0.000016 5.762483 0.002780\n-0.000004 -0.006546 13.611875\nCr S\n4 10\ndirect\n0.018566 0.120459 0.148898 Cr\n0.518566 0.879668 0.351107 Cr\n0.518564 0.879535 0.648896 Cr\n0.018565 0.120333 0.851106 Cr\n0.518566 0.976491 0.183419 S\n0.018567 0.023705 0.316599 S\n0.018566 0.023511 0.683417 S\n0.518564 0.976288 0.816602 S\n0.018582 0.464605 0.852647 S\n0.518581 0.535263 0.647316 S\n0.518584 0.535398 0.352652 S\n0.518569 0.002142 0.500010 S\n0.018569 -0.002136 0.000010 S\n0.018584 0.464730 0.147318 S\n",
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{
"id": "jvasp-59744",
"created_at": "2022-09-04T14:38:08.164555Z",
"updated_at": "2022-09-04T14:38:08.164587Z",
"structure_string": "Tl1 Cd1 N3 O6\n1.0\n5.788456 0.000000 0.000000\n-0.000000 5.788456 -0.000000\n-0.000000 0.000000 5.788456\nTl Cd N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.714878 O\n0.000000 0.714878 0.500000 O\n0.000000 0.285123 0.500000 O\n0.500000 0.000000 0.285123 O\n0.285123 0.500000 0.000000 O\n0.714878 0.500000 0.000000 O\n",
"nsites": 11,
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"formula_full": "Tl1 Cd1 N3 O6",
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{
"id": "jvasp-56183",
"created_at": "2022-09-04T14:37:06.574331Z",
"updated_at": "2022-09-04T14:37:06.574355Z",
"structure_string": "Nd4 Mn8\n1.0\n2.753914 -4.769918 0.000000\n2.753914 4.769918 -0.000000\n-0.000000 0.000000 8.139763\nNd Mn\n4 8\ndirect\n0.333332 0.666666 0.943291 Nd\n0.666666 0.333332 0.056709 Nd\n0.333332 0.666666 0.556709 Nd\n0.666666 0.333332 0.443291 Nd\n0.158870 0.317740 0.250000 Mn\n0.158869 0.841129 0.250000 Mn\n0.682258 0.841129 0.250000 Mn\n0.317740 0.158870 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.841129 0.158869 0.750000 Mn\n0.841129 0.682258 0.750000 Mn\n0.000000 0.000000 0.500000 Mn\n",
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"volume": 213.84694121592997,
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"formula_full": "Nd4 Mn8",
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{
"id": "jvasp-28410",
"created_at": "2022-09-04T14:36:17.494593Z",
"updated_at": "2022-09-04T14:36:17.494618Z",
"structure_string": "W1 Se2\n1.0\n3.324606 0.000000 0.000030\n-1.662304 2.879193 -0.000036\n0.000143 -0.000117 14.566104\nW Se\n1 2\ndirect\n0.333334 0.666666 0.214846 W\n0.666662 0.333341 0.330294 Se\n0.666673 0.333324 0.099400 Se\n",
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"formula_full": "W1 Se2",
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},
{
"id": "jvasp-78286",
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"updated_at": "2022-09-04T14:37:16.004364Z",
"structure_string": "Hf2 Tl1\n1.0\n-3.518791 0.000000 -0.000000\n0.000000 3.518791 0.000000\n1.759395 -1.759395 -5.403631\nHf Tl\n2 1\ndirect\n0.167593 0.167593 0.335186 Hf\n0.832405 0.832405 0.664814 Hf\n0.500000 0.500000 0.000000 Tl\n",
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{
"id": "jvasp-79498",
"created_at": "2022-09-04T14:37:16.536821Z",
"updated_at": "2022-09-04T14:37:16.536859Z",
"structure_string": "Sc2 Mn1 Si1\n1.0\n-3.195691 -3.195691 -0.000000\n-3.195691 -0.000000 -3.195691\n0.000000 -3.195691 -3.195691\nSc Mn Si\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Si\n",
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"volume": 65.27161137562065,
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"formula_full": "Sc2 Mn1 Si1",
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"spacegroup": 225
},
{
"id": "jvasp-37103",
"created_at": "2022-09-04T14:37:58.603669Z",
"updated_at": "2022-09-04T14:37:58.603688Z",
"structure_string": "Sc2 Mn1 Si1\n1.0\n3.195584 3.195584 0.000000\n3.195584 -0.000000 -3.195584\n0.000000 3.195584 -3.195584\nSc Mn Si\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.749999 0.749999 Sc\n0.499999 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Si\n",
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},
{
"id": "jvasp-46094",
"created_at": "2022-09-04T14:38:06.855854Z",
"updated_at": "2022-09-04T14:38:06.855887Z",
"structure_string": "Sr5 Ta4 O15\n1.0\n2.848185 -4.933200 0.000000\n2.848185 4.933200 0.000000\n0.000000 -0.000000 11.588168\nSr Ta O\n5 4 15\ndirect\n0.333332 0.666666 0.439233 Sr\n0.333332 0.666666 0.777694 Sr\n0.000000 0.000000 0.000000 Sr\n0.666666 0.333332 0.222306 Sr\n0.666666 0.333332 0.560767 Sr\n0.333332 0.666666 0.104897 Ta\n0.000000 0.000000 0.318532 Ta\n0.000000 0.000000 0.681468 Ta\n0.666666 0.333332 0.895103 Ta\n0.830679 0.661360 0.391811 O\n0.835244 0.670489 0.806792 O\n0.500000 -0.000000 0.000000 O\n0.661360 0.830679 0.608189 O\n0.329509 0.164754 0.806792 O\n0.499999 0.499999 0.000000 O\n0.164754 0.835244 0.193208 O\n0.338638 0.169319 0.391811 O\n0.169319 0.338638 0.608189 O\n0.164754 0.329509 0.193208 O\n0.835244 0.164754 0.806792 O\n-0.000000 0.500000 0.000000 O\n0.169319 0.830680 0.608189 O\n0.670489 0.835244 0.193208 O\n0.830680 0.169319 0.391811 O\n",
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{
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"created_at": "2022-09-04T14:37:02.271428Z",
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"structure_string": "Mg1 Nb2\n1.0\n2.181056 1.715836 -0.666448\n2.181056 -1.715836 -0.666448\n0.049841 0.000000 -7.633063\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.327572 0.327572 0.344659 Nb\n0.672430 0.672430 0.655341 Nb\n",
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{
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"structure_string": "Th3 Be1\n1.0\n4.819960 0.000000 -0.000000\n0.000000 4.819960 0.000000\n-0.000000 0.000000 4.819960\nTh Be\n3 1\ndirect\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Be\n",
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{
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