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{
"id": "jvasp-14899",
"created_at": "2022-09-04T14:37:10.416181Z",
"updated_at": "2022-09-04T14:37:10.416201Z",
"structure_string": "Th1 Fe2 Si2\n1.0\n3.790432 0.000000 -1.442541\n-0.548994 3.750464 -1.442541\n-0.031070 -0.035950 5.619512\nTh Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.750000 0.250000 0.500000 Fe\n0.250001 0.749999 0.500000 Fe\n0.639006 0.639005 0.278012 Si\n0.360995 0.360994 0.721988 Si\n",
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{
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"structure_string": "Hf1 Si2 Ni2\n1.0\n3.540312 0.000000 -1.279375\n-0.462332 3.509994 -1.279375\n-0.002897 -0.003303 5.530082\nHf Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.380860 0.380861 0.761720 Si\n0.619139 0.619139 0.238278 Si\n0.250000 0.750000 0.499999 Ni\n0.749999 0.250000 0.499999 Ni\n",
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"structure_string": "Sr1 Mn2 As2\n1.0\n2.025022 -3.507440 -0.000000\n2.025022 3.507440 -0.000000\n-0.000000 -0.000000 7.309075\nSr Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.611903 Mn\n0.333333 0.666667 0.388096 Mn\n0.666667 0.333333 0.281343 As\n0.333333 0.666667 0.718656 As\n",
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{
"id": "jvasp-34779",
"created_at": "2022-09-04T14:37:13.251245Z",
"updated_at": "2022-09-04T14:37:13.251270Z",
"structure_string": "Cu4 Cl4 O2\n1.0\n5.721985 0.031465 -2.333239\n-2.541064 5.126900 -2.333239\n-0.036132 -0.058593 6.179033\nCu Cl O\n4 4 2\ndirect\n0.000000 0.500000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.500001 -0.000000 0.500000 Cu\n0.500001 0.500000 -0.000000 Cu\n0.672178 0.922176 0.844353 Cl\n0.077825 0.327824 0.655647 Cl\n0.922177 0.672175 0.344353 Cl\n0.327824 0.077824 0.155647 Cl\n0.375001 0.625000 0.250000 O\n0.625001 0.375000 0.750000 O\n",
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"elements": [
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"volume": 180.20320932117448,
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"formula_full": "Cu4 Cl4 O2",
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"spacegroup": 70
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{
"id": "jvasp-51035",
"created_at": "2022-09-04T14:37:27.134344Z",
"updated_at": "2022-09-04T14:37:27.134354Z",
"structure_string": "Ca1 H2 O2\n1.0\n-3.590021 -0.021817 0.012177\n1.774947 3.112996 -0.199019\n-0.014796 -0.315194 -4.812591\nCa H O\n1 2 2\ndirect\n0.085763 0.011073 0.974624 Ca\n0.417940 0.676701 0.531958 H\n0.752441 0.345811 0.417324 H\n0.418616 0.676591 0.734404 O\n0.752989 0.345479 0.214876 O\n",
"nsites": 5,
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"volume": 53.81669623585605,
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{
"id": "jvasp-85244",
"created_at": "2022-09-04T14:37:18.185586Z",
"updated_at": "2022-09-04T14:37:18.185603Z",
"structure_string": "La2 P1 Br2\n1.0\n4.257385 -0.000000 -0.000000\n-2.128692 3.687003 -0.000000\n-0.000000 0.000000 10.049131\nLa P Br\n2 1 2\ndirect\n0.333333 0.666666 0.836421 La\n0.666666 0.333333 0.163579 La\n0.000000 0.000000 0.000000 P\n0.666666 0.333333 0.650761 Br\n0.333333 0.666666 0.349239 Br\n",
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{
"id": "jvasp-58262",
"created_at": "2022-09-04T14:37:13.284048Z",
"updated_at": "2022-09-04T14:37:13.284062Z",
"structure_string": "Lu2 B4 C4\n1.0\n5.311245 -0.000000 -0.000000\n0.000000 5.311245 -0.000000\n-0.000000 0.000000 3.430886\nLu B C\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.000000 Lu\n0.136315 0.636315 0.500001 B\n0.636315 0.863686 0.500001 B\n0.863686 0.363686 0.500001 B\n0.363686 0.136315 0.500001 B\n0.837479 0.662522 0.500001 C\n0.337479 0.837479 0.500001 C\n0.662522 0.162522 0.500001 C\n0.162522 0.337479 0.500001 C\n",
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"density": 7.570178446550863,
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"volume": 96.78297289416248,
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{
"id": "jvasp-10879",
"created_at": "2022-09-04T14:37:08.869506Z",
"updated_at": "2022-09-04T14:37:08.869525Z",
"structure_string": "Sr2 Be4 N4\n1.0\n4.833233 0.000958 -2.603232\n-3.109617 4.515199 -0.283250\n0.000660 -0.000958 5.489714\nSr Be N\n2 4 4\ndirect\n-0.000001 0.750000 0.749999 Sr\n-0.000000 0.250000 0.250000 Sr\n0.754062 0.127031 0.627031 Be\n0.499999 0.627031 0.872968 Be\n0.245937 0.872969 0.372968 Be\n0.500000 0.372969 0.127031 Be\n0.500000 0.167947 0.332053 N\n0.835893 0.667948 0.167947 N\n0.164106 0.332053 0.832052 N\n0.499999 0.832053 0.667947 N\n",
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{
"id": "jvasp-18069",
"created_at": "2022-09-04T14:37:27.150592Z",
"updated_at": "2022-09-04T14:37:27.150620Z",
"structure_string": "U1 Cu2 Ge2\n1.0\n3.777826 0.000000 -1.392864\n-0.513542 3.742759 -1.392864\n0.059213 0.067892 5.980277\nU Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.750000 0.500001 Cu\n0.750000 0.250000 0.500001 Cu\n0.618812 0.618811 0.237623 Ge\n0.381189 0.381188 0.762378 Ge\n",
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{
"id": "jvasp-48539",
"created_at": "2022-09-04T14:37:15.239456Z",
"updated_at": "2022-09-04T14:37:15.239483Z",
"structure_string": "Cr4 O2 F4\n1.0\n0.000000 5.936115 0.000000\n2.968058 -2.968058 5.299631\n5.936115 0.000000 -0.000000\nCr O F\n4 2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 -0.000000 0.000000 Cr\n-0.000000 0.500000 0.000000 Cr\n-0.000000 0.500000 0.500001 Cr\n0.125000 0.750000 0.125000 O\n0.875001 0.250000 0.875001 O\n0.625868 0.751735 0.124132 F\n0.875869 0.251735 0.374132 F\n0.374132 0.248265 0.875869 F\n0.124132 0.748264 0.625869 F\n",
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{
"id": "jvasp-43469",
"created_at": "2022-09-04T14:37:12.273529Z",
"updated_at": "2022-09-04T14:37:12.273549Z",
"structure_string": "Zr4 N4 O2\n1.0\n3.478745 0.001332 0.008843\n-0.001745 4.329322 0.006212\n-0.021501 -1.609346 8.568877\nZr N O\n4 4 2\ndirect\n0.750129 0.290622 0.106440 Zr\n0.750324 0.122859 0.670744 Zr\n0.250269 0.877999 0.328285 Zr\n0.250351 0.710236 0.892588 Zr\n0.250059 0.330254 0.248792 N\n0.249918 0.215619 0.901784 N\n0.749676 0.785240 0.097246 N\n0.750149 0.670603 0.750237 N\n0.750253 0.812287 0.437274 O\n0.250279 0.188571 0.561755 O\n",
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"spacegroup": 11
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{
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"created_at": "2022-09-04T14:37:27.101037Z",
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"structure_string": "Dy1 Ge2 Ru2\n1.0\n3.962640 0.000000 -1.564539\n-0.617715 3.914198 -1.564539\n-0.010803 -0.012641 5.773164\nDy Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.629478 0.629479 0.258956 Ge\n0.370522 0.370522 0.741044 Ge\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750001 0.500000 Ru\n",
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