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"id": "jvasp-16592",
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"structure_string": "Ni3 Sn1\n1.0\n3.637752 -0.000000 2.100257\n1.212584 3.429705 2.100257\n-0.000000 -0.000000 4.200514\nNi Sn\n3 1\ndirect\n0.499999 0.500001 0.500000 Ni\n0.250000 0.250000 0.250000 Ni\n0.749999 0.750001 0.750001 Ni\n0.000000 0.000000 0.000000 Sn\n",
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{
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{
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"created_at": "2022-09-04T14:35:50.797484Z",
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"structure_string": "Ni6 Sn2\n1.0\n0.000000 4.280563 0.000000\n0.000000 0.000000 4.550536\n5.349703 0.000000 0.000000\nNi Sn\n6 2\ndirect\n0.749999 0.830698 0.998097 Ni\n0.749999 0.830698 0.501902 Ni\n0.250000 0.169303 0.001903 Ni\n0.250000 0.169303 0.498097 Ni\n0.250000 0.695517 0.750000 Ni\n0.749999 0.304484 0.250000 Ni\n0.749999 0.328994 0.750000 Sn\n0.250000 0.671007 0.250000 Sn\n",
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{
"id": "jvasp-17601",
"created_at": "2022-09-04T14:38:16.489849Z",
"updated_at": "2022-09-04T14:38:16.489873Z",
"structure_string": "Ni6 Sn2\n1.0\n2.659054 -4.605616 0.000000\n2.659054 4.605616 -0.000000\n0.000000 -0.000000 4.258113\nNi Sn\n6 2\ndirect\n0.840531 0.681063 0.250000 Ni\n0.159467 0.840531 0.749999 Ni\n0.681063 0.840531 0.749999 Ni\n0.318935 0.159468 0.250000 Ni\n0.840531 0.159467 0.250000 Ni\n0.159468 0.318935 0.749999 Ni\n0.333332 0.666666 0.250000 Sn\n0.666666 0.333332 0.749999 Sn\n",
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"density_atomic": 0.07670575106520479,
"volume": 104.2946570355525,
"volume_molar": 7.85096381480027,
"formula_full": "Ni6 Sn2",
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},
{
"id": "jvasp-23044",
"created_at": "2022-09-04T14:38:33.011026Z",
"updated_at": "2022-09-04T14:38:33.011058Z",
"structure_string": "Sr2 Ni8 Sn4\n1.0\n6.442073 0.024926 -2.230795\n-3.258519 5.557245 -2.230795\n-0.014216 -0.024926 6.817370\nSr Ni Sn\n2 8 4\ndirect\n0.750000 0.750000 -0.000001 Sr\n0.250000 0.250000 -0.000000 Sr\n0.526118 0.297777 0.499999 Ni\n0.026119 0.526119 0.228341 Ni\n0.297776 0.797776 0.771656 Ni\n0.797776 0.026119 0.499999 Ni\n0.202222 0.973880 0.499998 Ni\n0.973880 0.473881 0.771656 Ni\n0.473880 0.702222 0.499999 Ni\n0.702223 0.202223 0.228341 Ni\n0.839522 0.660477 0.499999 Sn\n0.660476 0.160477 0.820954 Sn\n0.339522 0.839522 0.179043 Sn\n0.160476 0.339522 0.499999 Sn\n",
"nsites": 14,
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"elements": [
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"density": 7.62267311176581,
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"volume": 243.90193287421275,
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-18757",
"created_at": "2022-09-04T14:36:52.524219Z",
"updated_at": "2022-09-04T14:36:52.524228Z",
"structure_string": "Sr1 Ni1 Sn3\n1.0\n4.450531 0.000000 -1.777559\n-0.709964 4.393538 -1.777559\n-0.014796 -0.017379 6.423202\nSr Ni Sn\n1 1 3\ndirect\n0.999137 0.999137 0.998273 Sr\n0.659638 0.659638 0.319275 Ni\n0.430597 0.430598 0.861196 Sn\n0.749313 0.249314 0.498627 Sn\n0.249314 0.749314 0.498627 Sn\n",
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"volume": 125.32160290057463,
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"formula_full": "Sr1 Ni1 Sn3",
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"formula_anonymous": "ABC3",
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{
"id": "jvasp-23769",
"created_at": "2022-09-04T14:37:41.302259Z",
"updated_at": "2022-09-04T14:37:41.302285Z",
"structure_string": "Tb4 Ni4 Sn4\n1.0\n4.487978 -0.000000 0.000000\n-0.000000 7.176212 0.000000\n0.000000 0.000000 7.647766\nTb Ni Sn\n4 4 4\ndirect\n0.750000 0.014781 0.700988 Tb\n0.250000 0.985218 0.299013 Tb\n0.750000 0.514781 0.799013 Tb\n0.250000 0.485218 0.200988 Tb\n0.750000 0.798827 0.084041 Ni\n0.250000 0.201173 0.915960 Ni\n0.750000 0.298827 0.415960 Ni\n0.250000 0.701172 0.584041 Ni\n0.750000 0.689235 0.412201 Sn\n0.250000 0.310765 0.587799 Sn\n0.750000 0.189235 0.087799 Sn\n0.250000 0.810765 0.912202 Sn\n",
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"volume": 246.30916435527215,
"volume_molar": 12.360903818545196,
"formula_full": "Tb4 Ni4 Sn4",
"formula_reduced": "TbNiSn",
"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "jvasp-92532",
"created_at": "2022-09-04T14:35:57.391664Z",
"updated_at": "2022-09-04T14:35:57.391690Z",
"structure_string": "Tb2 Ni2 Sn1\n1.0\n-4.250037 -0.000000 -0.000000\n-2.125019 -2.852903 4.123464\n-2.125019 2.852903 4.123464\nTb Ni Sn\n2 2 1\ndirect\n0.796541 0.703460 0.703460 Tb\n0.203461 0.296539 0.296539 Tb\n0.500001 0.291717 0.708282 Ni\n0.500001 0.708282 0.291717 Ni\n0.000000 0.000000 0.000000 Sn\n",
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},
{
"id": "jvasp-102692",
"created_at": "2022-09-04T14:38:47.305284Z",
"updated_at": "2022-09-04T14:38:47.305291Z",
"structure_string": "Ni6 Sn1 Te2\n1.0\n3.718005 -0.016313 -9.265523\n-0.153841 3.714856 -9.265523\n0.015720 0.016313 9.983648\nNi Sn Te\n6 1 2\ndirect\n0.501245 0.501246 0.000001 Ni\n0.906590 0.406591 0.500000 Ni\n0.406590 0.906591 0.500001 Ni\n0.095065 0.595065 0.500000 Ni\n0.595064 0.095065 0.500000 Ni\n0.809981 0.809983 0.000001 Ni\n0.000422 0.000422 0.000000 Sn\n0.315492 0.315493 0.000000 Te\n0.679148 0.679150 0.000001 Te\n",
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{
"id": "jvasp-8551",
"created_at": "2022-09-04T14:37:01.416576Z",
"updated_at": "2022-09-04T14:37:01.416598Z",
"structure_string": "Th1 Ni1 Sn1\n1.0\n4.032115 0.000000 2.327942\n1.344039 3.801514 2.327942\n-0.000000 -0.000000 4.655885\nTh Ni Sn\n1 1 1\ndirect\n0.750001 0.749999 0.749998 Th\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.249999 Sn\n",
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{
"id": "jvasp-37539",
"created_at": "2022-09-04T14:37:26.901841Z",
"updated_at": "2022-09-04T14:37:26.901872Z",
"structure_string": "Th2 Ni4 Sn4\n1.0\n4.463545 0.000000 0.000000\n0.000000 4.463545 0.000000\n0.000000 0.000000 10.083380\nTh Ni Sn\n2 4 4\ndirect\n0.499999 0.000000 0.233415 Th\n0.000000 0.499999 0.766585 Th\n0.499999 0.499999 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.499999 0.372942 Ni\n0.499999 0.000000 0.627058 Ni\n0.000000 0.499999 0.125511 Sn\n0.499999 0.499999 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.499999 0.000000 0.874489 Sn\n",
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{
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"created_at": "2022-09-04T14:38:14.542317Z",
"updated_at": "2022-09-04T14:38:14.542334Z",
"structure_string": "Th1 Ni1 Sn1\n1.0\n4.283933 0.000000 2.473330\n1.427977 4.038930 2.473330\n-0.000000 -0.000000 4.946659\nTh Ni Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Th\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Sn\n",
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