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{
"id": "jvasp-8823",
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{
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{
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{
"id": "jvasp-97421",
"created_at": "2022-09-04T14:36:06.289818Z",
"updated_at": "2022-09-04T14:36:06.289830Z",
"structure_string": "Cu2 C8 O8\n1.0\n5.203732 -0.053357 1.917569\n1.834331 6.458236 1.796508\n-0.112537 0.653110 6.918222\nCu C O\n2 8 8\ndirect\n0.749999 0.110533 0.889467 Cu\n0.249999 0.889467 0.110534 Cu\n0.370641 0.976554 0.647752 C\n0.099158 0.549934 0.072404 C\n0.129358 0.352248 0.023446 C\n0.599158 0.072404 0.549934 C\n0.900841 0.450066 0.927597 C\n0.400841 0.927597 0.450067 C\n0.629358 0.023446 0.352248 C\n0.870641 0.647752 0.976554 C\n0.702301 0.821591 0.947485 O\n0.202301 0.947485 0.821591 O\n0.776008 0.402300 0.836206 O\n0.223991 0.597701 0.163794 O\n0.723991 0.163794 0.597701 O\n0.797698 0.052515 0.178409 O\n0.297698 0.178409 0.052515 O\n0.276008 0.836206 0.402300 O\n",
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"density": 2.5268773522806858,
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"volume": 230.7734299019249,
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"formula_full": "Cu2 C8 O8",
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{
"id": "jvasp-57476",
"created_at": "2022-09-04T14:37:12.760746Z",
"updated_at": "2022-09-04T14:37:12.760779Z",
"structure_string": "Cu2 C2 S2 N2\n1.0\n1.904891 -3.299369 0.000000\n1.904891 3.299369 -0.000000\n0.000000 0.000000 11.016318\nCu C S N\n2 2 2 2\ndirect\n0.666667 0.333333 0.501673 Cu\n0.333333 0.666667 0.001673 Cu\n0.333333 0.666667 0.280135 C\n0.666667 0.333333 0.780135 C\n0.666667 0.333333 0.930793 S\n0.333333 0.666667 0.430793 S\n0.666667 0.333333 0.673599 N\n0.333333 0.666667 0.173598 N\n",
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],
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"volume": 138.4737581499465,
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"formula_full": "Cu2 C2 S2 N2",
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{
"id": "jvasp-53273",
"created_at": "2022-09-04T14:38:29.351271Z",
"updated_at": "2022-09-04T14:38:29.351301Z",
"structure_string": "Cu2 C2 S2 N2\n1.0\n3.783844 0.019096 10.583023\n1.850763 3.300381 10.583023\n0.032415 0.019096 11.239074\nCu C S N\n2 2 2 2\ndirect\n0.000838 0.000838 0.000838 Cu\n0.500837 0.500839 0.500837 Cu\n0.093603 0.093603 0.093603 C\n0.593602 0.593604 0.593603 C\n0.143791 0.143791 0.143791 S\n0.643790 0.643792 0.643790 S\n0.558107 0.558109 0.558108 N\n0.058108 0.058108 0.058108 N\n",
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{
"id": "jvasp-118213",
"created_at": "2022-09-04T14:38:37.485972Z",
"updated_at": "2022-09-04T14:38:37.485982Z",
"structure_string": "Cu1 F1\n1.0\n2.815246 -0.124782 0.310680\n1.293064 -2.507788 0.135298\n-0.046345 -1.808401 -3.546803\nCu F\n1 1\ndirect\n0.955563 0.000646 0.002303 Cu\n0.455787 0.500059 0.502264 F\n",
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"volume": 24.3952925044574,
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},
{
"id": "jvasp-16281",
"created_at": "2022-09-04T14:37:50.856819Z",
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"structure_string": "Cu1 F1\n1.0\n2.958284 -0.000000 1.707967\n0.986095 2.789097 1.707967\n0.000000 -0.000000 3.415933\nCu F\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 F\n",
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"elements": [
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"volume": 28.184661743886984,
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{
"id": "jvasp-86339",
"created_at": "2022-09-04T14:35:42.641972Z",
"updated_at": "2022-09-04T14:35:42.642005Z",
"structure_string": "Cu2 F4\n1.0\n3.168685 0.000000 -0.198165\n0.000000 4.648287 0.000000\n0.247362 0.000000 4.644536\nCu F\n2 4\ndirect\n0.500000 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.499079 0.802060 0.198229 F\n0.000921 0.302060 0.301772 F\n0.999079 0.697940 0.698230 F\n0.500922 0.197940 0.801773 F\n",
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"volume": 68.6370244011399,
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},
{
"id": "jvasp-85840",
"created_at": "2022-09-04T14:35:56.420750Z",
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"structure_string": "Cu2 F4\n1.0\n3.165321 0.000000 -0.184156\n0.000000 4.653705 0.000000\n0.267573 0.000000 4.643474\nCu F\n2 4\ndirect\n0.499999 0.500001 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.500070 0.802336 0.198428 F\n-0.000070 0.302336 0.301571 F\n0.000069 0.697665 0.698428 F\n0.499929 0.197665 0.801570 F\n",
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{
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"updated_at": "2022-09-04T14:38:37.449882Z",
"structure_string": "Cu1 F3\n1.0\n5.956960 0.982130 0.534512\n-3.591227 -2.798331 -0.317753\n-0.578067 -1.229114 -3.522043\nCu F\n1 3\ndirect\n0.908274 0.930730 -0.018655 Cu\n0.539079 0.862705 0.837769 F\n0.908232 0.930616 0.481359 F\n0.277504 -0.001225 0.124851 F\n",
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},
{
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"created_at": "2022-09-04T14:38:26.638087Z",
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"structure_string": "Cu2 Ge4 N6\n1.0\n5.526222 0.000443 0.000000\n-2.766444 4.787329 0.000000\n0.000000 0.000000 5.220579\nCu Ge N\n2 4 6\ndirect\n0.000001 0.661642 0.502850 Cu\n0.000000 0.338358 0.002850 Cu\n0.328601 0.330813 0.492142 Ge\n0.671399 0.002211 0.492142 Ge\n0.671399 0.669186 0.992142 Ge\n0.328601 0.997788 0.992142 Ge\n0.369040 0.334778 0.855493 N\n0.630961 0.965738 0.855493 N\n0.630961 0.665222 0.355493 N\n0.369039 0.034261 0.355493 N\n0.000001 0.694704 0.889881 N\n0.000000 0.305296 0.389881 N\n",
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