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{
"id": "jvasp-42060",
"created_at": "2022-09-04T14:38:34.913676Z",
"updated_at": "2022-09-04T14:38:34.913704Z",
"structure_string": "Er4 Ga16 Co3\n1.0\n5.988724 -0.000000 0.000000\n0.000000 5.988724 0.000000\n0.000000 -0.000000 11.043707\nEr Ga Co\n4 16 3\ndirect\n0.000000 0.500000 0.195265 Er\n0.000000 0.500000 0.804735 Er\n0.500000 0.000000 0.804735 Er\n0.500000 0.000000 0.195265 Er\n0.750266 0.249733 0.383818 Ga\n0.249733 0.750266 0.383818 Ga\n0.249733 0.249733 0.616182 Ga\n0.750266 0.750266 0.616182 Ga\n0.750266 0.249733 0.616182 Ga\n0.249733 0.750266 0.616182 Ga\n0.750266 0.750266 0.383818 Ga\n0.249733 0.249733 0.383818 Ga\n0.719559 0.280441 0.000000 Ga\n0.280441 0.719559 0.000000 Ga\n0.719559 0.719559 0.000000 Ga\n0.280441 0.280441 0.000000 Ga\n0.500000 0.500000 0.804645 Ga\n0.500000 0.500000 0.195355 Ga\n0.000000 0.000000 0.781940 Ga\n0.000000 0.000000 0.218060 Ga\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n",
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{
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"structure_string": "P8 N12 O2\n1.0\n6.125015 0.000000 0.000000\n0.000000 6.885910 0.000000\n0.000000 0.000000 6.893024\nP N O\n8 12 2\ndirect\n0.000000 0.186004 0.500000 P\n0.500000 0.313996 0.000000 P\n0.000000 0.813996 0.500000 P\n0.500000 0.686004 0.000000 P\n0.293710 0.500000 0.359163 P\n0.793710 0.000000 0.140837 P\n0.706291 0.500000 0.640837 P\n0.206291 0.000000 0.859162 P\n0.602838 0.500000 0.863567 N\n0.102838 0.000000 0.636432 N\n0.897163 0.000000 0.363567 N\n0.397162 0.500000 0.136432 N\n0.674738 0.798876 0.121572 N\n0.174738 0.701123 0.378427 N\n0.825263 0.298877 0.621572 N\n0.825263 0.701123 0.621572 N\n0.325263 0.201123 0.878427 N\n0.674738 0.201123 0.121572 N\n0.174738 0.298877 0.378427 N\n0.325263 0.798876 0.878427 N\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:34.915886Z",
"updated_at": "2022-09-04T14:38:34.915910Z",
"structure_string": "Li1 In2 Ru1\n1.0\n3.989408 0.000000 2.303285\n1.329802 3.761249 2.303285\n0.000000 -0.000000 4.606571\nLi In Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750001 In\n0.500000 0.500000 0.500001 Ru\n",
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{
"id": "jvasp-117463",
"created_at": "2022-09-04T14:38:34.919379Z",
"updated_at": "2022-09-04T14:38:34.919407Z",
"structure_string": "Ba1 B1 P1\n1.0\n4.828432 -0.180116 0.000000\n-1.053564 5.264021 0.000000\n0.000000 0.000000 5.352585\nBa B P\n1 1 1\ndirect\n-0.239316 -0.208300 0.000000 Ba\n0.358835 0.158205 0.000000 B\n0.152508 0.385631 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:38:34.920329Z",
"updated_at": "2022-09-04T14:38:34.920356Z",
"structure_string": "Li4 C2 O6\n1.0\n4.556439 0.001817 1.749069\n1.819666 4.177315 1.749069\n0.024026 0.015747 6.106865\nLi C O\n4 2 6\ndirect\n0.639862 0.751450 0.167229 Li\n0.248551 0.360139 0.332771 Li\n0.360140 0.248551 0.832771 Li\n0.751451 0.639861 0.667229 Li\n0.068757 0.931244 0.750000 C\n0.931245 0.068756 0.250000 C\n0.325753 0.674248 0.750000 O\n0.674249 0.325752 0.250000 O\n0.084553 0.209341 0.688816 O\n0.790661 0.915448 0.811184 O\n0.915449 0.790659 0.311184 O\n0.209341 0.084552 0.188816 O\n",
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{
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"created_at": "2022-09-04T14:38:34.921162Z",
"updated_at": "2022-09-04T14:38:34.921196Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.403159 -0.000000 -0.000000\n-1.701579 2.947222 -0.000285\n-0.000000 -0.003739 40.309077\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333402 0.666805 0.326910 Te\n0.666569 0.333137 0.423939 Te\n0.666691 0.333381 0.517373 Te\n0.333267 0.666535 0.233946 Te\n0.666669 0.333337 0.280441 Mo\n0.333282 0.666564 0.093825 W\n0.333299 0.666595 0.470664 W\n0.666751 0.333503 0.658007 W\n0.333469 0.666940 0.698891 Se\n0.333366 0.666734 0.617016 Se\n0.666563 0.333125 0.056573 S\n0.666670 0.333338 0.131165 S\n",
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"density_atomic": 0.029681326442139187,
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"formula_full": "Te4 Mo1 W3 Se2 S2",
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{
"id": "jvasp-31188",
"created_at": "2022-09-04T14:38:34.930432Z",
"updated_at": "2022-09-04T14:38:34.930459Z",
"structure_string": "Rb2 Te4 O12\n1.0\n7.416520 -0.000000 0.000000\n3.708260 6.422896 0.000000\n3.708260 2.140965 6.055564\nRb Te O\n2 4 12\ndirect\n0.375000 0.375001 0.375000 Rb\n0.625000 0.625001 0.625000 Rb\n0.500000 0.000000 0.000000 Te\n-0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n-0.000000 0.000000 0.500000 Te\n0.070410 0.070411 0.679589 O\n0.070410 0.679590 0.070410 O\n0.070410 0.679591 0.679589 O\n0.929589 0.320411 0.929589 O\n0.679590 0.070410 0.070410 O\n0.929590 0.320411 0.320410 O\n0.320410 0.929591 0.929589 O\n0.679590 0.679590 0.070410 O\n0.679590 0.070411 0.679589 O\n0.929589 0.929591 0.320410 O\n0.320410 0.320411 0.929589 O\n0.320410 0.929591 0.320410 O\n",
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{
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"created_at": "2022-09-04T14:38:34.930457Z",
"updated_at": "2022-09-04T14:38:34.930483Z",
"structure_string": "Zr4 Mn4 Ni4\n1.0\n4.982618 0.006124 0.000000\n-2.621228 4.237415 0.000000\n0.000000 -0.000000 7.970523\nZr Mn Ni\n4 4 4\ndirect\n0.334638 0.665360 0.189846 Zr\n0.665056 0.334943 0.310583 Zr\n0.665056 0.334943 0.689416 Zr\n0.334638 0.665360 0.810154 Zr\n0.006544 0.993454 0.241172 Mn\n0.006544 0.993454 0.758828 Mn\n0.824347 0.668849 -0.000000 Mn\n0.331149 0.175651 -0.000000 Mn\n0.824033 0.175966 -0.000000 Ni\n0.168657 0.329704 0.500000 Ni\n0.670295 0.831341 0.500000 Ni\n0.167607 0.832391 0.500000 Ni\n",
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{
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"created_at": "2022-09-04T14:38:34.933511Z",
"updated_at": "2022-09-04T14:38:34.933534Z",
"structure_string": "K12 Mn2 Se8\n1.0\n5.110452 -8.851563 -0.000000\n5.110452 8.851563 0.000000\n0.000000 -0.000000 7.856003\nK Mn Se\n12 2 8\ndirect\n0.146582 0.853418 0.547116 K\n0.472838 0.527162 0.865778 K\n0.527162 0.054325 0.365778 K\n0.472838 0.945675 0.865778 K\n0.054325 0.527162 0.865778 K\n0.527162 0.472838 0.365778 K\n0.945675 0.472838 0.365778 K\n0.706837 0.853418 0.547116 K\n0.146582 0.293163 0.547116 K\n0.853418 0.706837 0.047116 K\n0.293163 0.146582 0.047116 K\n0.853418 0.146582 0.047116 K\n0.333333 0.666667 0.249895 Mn\n0.666667 0.333333 0.749895 Mn\n0.609781 0.804890 0.149140 Se\n0.333333 0.666667 0.576701 Se\n0.666667 0.333333 0.076701 Se\n0.195109 0.804890 0.149140 Se\n0.390219 0.195109 0.649139 Se\n0.804890 0.609781 0.649139 Se\n0.195109 0.390219 0.149140 Se\n0.804890 0.195109 0.649139 Se\n",
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{
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"created_at": "2022-09-04T14:38:34.936711Z",
"updated_at": "2022-09-04T14:38:34.936739Z",
"structure_string": "Ba4 Te4 O16\n1.0\n5.123634 -0.000000 0.000000\n-0.000000 5.997795 0.000000\n0.000000 0.000000 13.766902\nBa Te O\n4 4 16\ndirect\n0.250000 0.000000 0.162764 Ba\n0.749999 0.000000 0.837236 Ba\n0.250000 0.500000 0.662764 Ba\n0.749999 0.500000 0.337236 Ba\n0.250000 0.000000 0.431967 Te\n0.749999 0.000000 0.568033 Te\n0.749999 0.500000 0.068033 Te\n0.250000 0.500000 0.931967 Te\n0.072851 0.823043 0.540236 O\n0.572851 0.823043 0.459764 O\n0.572851 0.676956 0.959764 O\n0.072851 0.676956 0.040236 O\n0.147793 0.710118 0.838221 O\n0.647792 0.710118 0.161778 O\n0.352207 0.289881 0.838221 O\n0.427148 0.176956 0.540236 O\n0.927148 0.323043 0.959764 O\n0.427148 0.323043 0.040236 O\n0.147793 0.789881 0.338222 O\n0.927148 0.176956 0.459764 O\n0.852207 0.210119 0.661778 O\n0.352207 0.210119 0.338222 O\n0.852207 0.289881 0.161778 O\n0.647792 0.789881 0.661778 O\n",
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{
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"created_at": "2022-09-04T14:38:34.939180Z",
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"structure_string": "Sb1 I3 Cl8\n1.0\n7.067991 0.232158 -0.211019\n-1.168214 6.915764 0.413357\n-0.728862 -0.294095 7.643235\nSb I Cl\n1 3 8\ndirect\n0.000000 0.500000 0.500001 Sb\n0.000000 0.000000 0.000000 I\n0.655767 0.769236 0.823311 I\n0.344234 0.230764 0.176690 I\n0.718928 0.289089 0.569050 Cl\n0.281073 0.710912 0.430951 Cl\n0.497428 0.753149 0.081922 Cl\n0.502573 0.246852 0.918079 Cl\n0.824562 0.785281 0.503893 Cl\n0.175439 0.214720 0.496108 Cl\n0.889082 0.463847 0.195259 Cl\n0.110919 0.536154 0.804742 Cl\n",
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}