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{
"id": "jvasp-101440",
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"structure_string": "Zr1 Ti1 Pb2 O6\n1.0\n4.997289 -0.009077 2.961506\n1.683077 4.705340 2.961506\n-0.012912 -0.009077 5.808893\nZr Ti Pb O\n1 1 2 6\ndirect\n0.012374 0.012374 0.012374 Zr\n0.512536 0.512534 0.512535 Ti\n0.778111 0.778109 0.778111 Pb\n0.280497 0.280496 0.280497 Pb\n0.744696 0.744694 0.245306 O\n0.259546 0.259544 0.730477 O\n0.245306 0.744694 0.744695 O\n0.730478 0.259544 0.259546 O\n0.744696 0.245304 0.744695 O\n0.259546 0.730477 0.259545 O\n",
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{
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{
"id": "jvasp-100314",
"created_at": "2022-09-04T14:36:34.136045Z",
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"structure_string": "Zr1 Ti1 Ni2 H6\n1.0\n5.408173 -0.002532 0.000000\n-4.325242 3.246631 0.000000\n0.000000 0.000000 4.263052\nZr Ti Ni H\n1 1 2 6\ndirect\n0.142084 0.857916 0.000000 Zr\n0.858105 0.141896 0.500000 Ti\n0.565602 0.434398 0.500000 Ni\n0.428192 0.571808 0.000000 Ni\n0.693727 0.306274 0.743966 H\n0.316186 0.683814 0.727939 H\n0.693727 0.306274 0.256034 H\n0.316186 0.683814 0.272061 H\n0.059176 0.940824 0.500000 H\n0.927016 0.072985 0.000000 H\n",
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"volume": 74.80543860242351,
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"formula_full": "Zr1 Ti1 Ni2 H6",
"formula_reduced": "ZrTi(NiH3)2",
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{
"id": "jvasp-105334",
"created_at": "2022-09-04T14:36:57.835934Z",
"updated_at": "2022-09-04T14:36:57.835953Z",
"structure_string": "Zr1 Ti1 Ni2 H2\n1.0\n5.141027 0.029506 0.000000\n-4.071496 3.139100 0.000000\n-0.000000 0.000000 3.995579\nZr Ti Ni H\n1 1 2 2\ndirect\n0.166673 0.833327 -0.000000 Zr\n0.882867 0.117135 0.500000 Ti\n0.588258 0.411743 0.500000 Ni\n0.434377 0.565624 -0.000000 Ni\n0.100052 0.899947 0.500000 H\n0.827774 0.172228 -0.000000 H\n",
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"formula_full": "Zr1 Ti1 Ni2 H2",
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{
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"created_at": "2022-09-04T14:37:48.261579Z",
"updated_at": "2022-09-04T14:37:48.261604Z",
"structure_string": "Zr1 Ti1 Nb1\n1.0\n7.228535 -0.053179 1.922171\n6.702664 2.686225 1.011777\n0.007639 -0.039795 2.933948\nZr Ti Nb\n1 1 1\ndirect\n0.666329 0.666331 0.333671 Zr\n0.341624 0.341624 0.658377 Ti\n0.992042 0.992046 0.007957 Nb\n",
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{
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"updated_at": "2022-09-04T14:36:34.383000Z",
"structure_string": "Zr1 Ti1 N2\n1.0\n3.006102 -0.002633 4.501315\n1.362912 2.679389 4.501315\n-0.004298 -0.002633 5.412806\nZr Ti N\n1 1 2\ndirect\n0.499998 0.500001 0.500001 Zr\n0.000000 0.000000 0.000000 Ti\n0.255240 0.255241 0.255241 N\n0.744757 0.744762 0.744762 N\n",
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{
"id": "jvasp-103024",
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"updated_at": "2022-09-04T14:38:39.988117Z",
"structure_string": "Zr1 Ti1 Mo4\n1.0\n4.599865 0.000000 2.655733\n1.533288 4.336795 2.655733\n-0.000000 -0.000000 5.311467\nZr Ti Mo\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ti\n0.624876 0.624874 0.125375 Mo\n0.624875 0.125375 0.624874 Mo\n0.125376 0.624874 0.624874 Mo\n0.624876 0.624874 0.624874 Mo\n",
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"formula_full": "Zr1 Ti1 Mo4",
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{
"id": "jvasp-17429",
"created_at": "2022-09-04T14:38:19.568648Z",
"updated_at": "2022-09-04T14:38:19.568670Z",
"structure_string": "Zr1 Ti1 F6\n1.0\n5.023877 0.000000 2.900536\n1.674626 4.736556 2.900536\n0.000000 0.000000 5.801074\nZr Ti F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500000 0.500000 Ti\n0.749519 0.749519 0.250482 F\n0.250482 0.749519 0.250482 F\n0.250482 0.250482 0.749518 F\n0.749519 0.250482 0.250482 F\n0.250482 0.749519 0.749518 F\n0.749519 0.250482 0.749518 F\n",
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"formula_full": "Zr1 Ti1 F6",
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{
"id": "jvasp-110113",
"created_at": "2022-09-04T14:38:20.282166Z",
"updated_at": "2022-09-04T14:38:20.282179Z",
"structure_string": "Zr1 Ti1 Cu1\n1.0\n2.971397 -0.005185 -5.039604\n-0.225677 2.962819 -5.039604\n0.004814 0.005185 5.850366\nZr Ti Cu\n1 1 1\ndirect\n0.335418 0.335417 0.000000 Zr\n0.650246 0.650245 0.000000 Ti\n0.014337 0.014337 0.000000 Cu\n",
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{
"id": "jvasp-100312",
"created_at": "2022-09-04T14:36:33.036684Z",
"updated_at": "2022-09-04T14:36:33.036706Z",
"structure_string": "Zr1 Ti1 Co4\n1.0\n4.139942 -0.000000 2.390197\n1.379981 3.903176 2.390197\n-0.000000 -0.000000 4.780393\nZr Ti Co\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ti\n0.624430 0.624431 0.126707 Co\n0.624430 0.126707 0.624431 Co\n0.126706 0.624431 0.624431 Co\n0.624430 0.624431 0.624431 Co\n",
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{
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"structure_string": "Zr1 Ti1 C2\n1.0\n3.080207 0.001735 4.605188\n1.399429 2.743952 4.605188\n0.002830 0.001735 5.540346\nZr Ti C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500002 0.499998 0.500001 Ti\n0.244654 0.244652 0.244654 C\n0.755349 0.755343 0.755348 C\n",
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{
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"created_at": "2022-09-04T14:38:17.400949Z",
"updated_at": "2022-09-04T14:38:17.400979Z",
"structure_string": "Zr1 Ti1 C1 N1\n1.0\n3.041839 -0.000578 4.567602\n1.381309 2.710123 4.567602\n-0.000943 -0.000578 5.487783\nZr Ti C N\n1 1 1 1\ndirect\n0.250187 0.250186 0.250187 Zr\n0.748782 0.748777 0.748779 Ti\n0.005499 0.005499 0.005499 C\n0.495536 0.495533 0.495534 N\n",
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