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{
"id": "jvasp-117971",
"created_at": "2022-09-04T14:38:52.226270Z",
"updated_at": "2022-09-04T14:38:52.226284Z",
"structure_string": "Ca1 C3\n1.0\n4.731413 -0.541143 -0.035440\n-2.389266 -2.967442 0.128146\n-0.020834 3.120038 -3.609384\nCa C\n1 3\ndirect\n0.992215 0.967511 -0.065326 Ca\n0.285304 0.054409 0.521664 C\n0.402765 0.877619 0.639001 C\n0.285278 0.465883 0.639155 C\n",
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{
"id": "jvasp-117969",
"created_at": "2022-09-04T14:38:47.807523Z",
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"structure_string": "Ca2 C1\n1.0\n3.622229 0.000000 0.573100\n0.000000 3.618801 0.000000\n0.738963 0.000000 7.023448\nCa C\n2 1\ndirect\n0.082269 0.000000 -0.098414 Ca\n-0.148931 0.000000 0.365080 Ca\n0.466662 0.000000 0.133333 C\n",
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{
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"created_at": "2022-09-04T14:36:09.641642Z",
"updated_at": "2022-09-04T14:36:09.641668Z",
"structure_string": "Ca2 C4\n1.0\n3.733321 0.000000 -0.000000\n-1.866661 4.360648 -0.000000\n-0.000000 -0.000000 4.743737\nCa C\n2 4\ndirect\n0.146426 0.292851 0.250000 Ca\n0.853575 0.707149 0.750000 Ca\n0.437859 0.875718 0.397151 C\n0.562141 0.124283 0.602850 C\n0.437859 0.875718 0.102850 C\n0.562141 0.124283 0.897151 C\n",
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"elements": [
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"density": 2.756551369652626,
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"volume": 77.22660931875419,
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"formula_full": "Ca2 C4",
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"spacegroup": 63
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{
"id": "jvasp-57638",
"created_at": "2022-09-04T14:38:36.694286Z",
"updated_at": "2022-09-04T14:38:36.694317Z",
"structure_string": "Ca4 Cd8\n1.0\n3.008589 -5.211028 0.000000\n3.008589 5.211028 -0.000000\n0.000000 -0.000000 9.578587\nCa Cd\n4 8\ndirect\n0.333333 0.666667 0.059836 Ca\n0.666667 0.333333 0.559836 Ca\n0.666667 0.333333 0.940165 Ca\n0.333333 0.666667 0.440164 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.341753 0.170876 0.250000 Cd\n0.170876 0.341753 0.750000 Cd\n0.170876 0.829124 0.750000 Cd\n0.829124 0.170876 0.250000 Cd\n0.829124 0.658247 0.250000 Cd\n0.658247 0.829124 0.750000 Cd\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Ca-Cd",
"density": 5.858323273428403,
"density_atomic": 0.039954300546275995,
"volume": 300.3431379333327,
"volume_molar": 15.072572107788542,
"formula_full": "Ca4 Cd8",
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"spacegroup": 194
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{
"id": "jvasp-20066",
"created_at": "2022-09-04T14:35:58.829081Z",
"updated_at": "2022-09-04T14:35:58.829101Z",
"structure_string": "Ca1 Cd1\n1.0\n3.800561 0.000000 0.000000\n-0.000000 3.800561 0.000000\n-0.000000 -0.000000 3.800561\nCa Cd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 2,
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"volume": 54.89630610799596,
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"formula_full": "Ca1 Cd1",
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{
"id": "jvasp-101545",
"created_at": "2022-09-04T14:36:38.220918Z",
"updated_at": "2022-09-04T14:36:38.220926Z",
"structure_string": "Ca3 Cd1\n1.0\n5.072483 -0.000000 0.000000\n0.000000 5.072483 0.000000\n-0.000000 -0.000000 5.072483\nCa Cd\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"density": 2.9599271341565063,
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"formula_full": "Ca3 Cd1",
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{
"id": "jvasp-19714",
"created_at": "2022-09-04T14:38:29.457697Z",
"updated_at": "2022-09-04T14:38:29.457721Z",
"structure_string": "Ca2 Cd4\n1.0\n4.565579 0.000000 1.961658\n1.961801 5.560472 1.727899\n0.065009 0.136008 6.142510\nCa Cd\n2 4\ndirect\n0.478477 0.271523 0.771523 Ca\n0.521523 0.728477 0.228477 Ca\n0.834043 0.140641 0.191275 Cd\n0.165957 0.859359 0.808725 Cd\n0.165957 0.308725 0.359359 Cd\n0.834043 0.691275 0.640641 Cd\n",
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"volume": 154.6798756319375,
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"formula_full": "Ca2 Cd4",
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"spacegroup": 74
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{
"id": "jvasp-105729",
"created_at": "2022-09-04T14:36:18.165605Z",
"updated_at": "2022-09-04T14:36:18.165631Z",
"structure_string": "Ca2 Cd6\n1.0\n6.682755 -0.000000 -0.000000\n-3.341376 5.787436 0.000000\n0.000000 -0.000000 5.059167\nCa Cd\n2 6\ndirect\n0.333333 0.666667 0.750001 Ca\n0.666666 0.333333 0.250000 Ca\n0.160354 0.320709 0.250000 Cd\n0.679290 0.839646 0.250000 Cd\n0.160354 0.839646 0.250000 Cd\n0.839645 0.679291 0.750001 Cd\n0.320709 0.160355 0.750001 Cd\n0.839645 0.160355 0.750001 Cd\n",
"nsites": 8,
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"formula_full": "Ca2 Cd6",
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{
"id": "jvasp-107147",
"created_at": "2022-09-04T14:36:57.635000Z",
"updated_at": "2022-09-04T14:36:57.635021Z",
"structure_string": "Ca1 Cl2\n1.0\n4.089780 -0.000000 2.361235\n1.363260 3.855881 2.361235\n-0.000000 -0.000000 4.722471\nCa Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Cl\n0.750000 0.750000 0.750001 Cl\n",
"nsites": 3,
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"elements": [
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},
{
"id": "jvasp-85270",
"created_at": "2022-09-04T14:37:19.799388Z",
"updated_at": "2022-09-04T14:37:19.799416Z",
"structure_string": "Ca4 Cl8\n1.0\n6.239412 -0.000000 0.000000\n0.000000 6.909302 0.000000\n0.000000 0.000000 7.647112\nCa Cl\n4 8\ndirect\n0.000000 0.250000 0.152245 Ca\n0.500000 0.250000 0.652245 Ca\n0.000000 0.750000 0.847754 Ca\n0.500000 0.750000 0.347755 Ca\n0.241265 0.422873 0.893091 Cl\n0.741265 0.577126 0.606908 Cl\n0.758735 0.577126 0.106909 Cl\n0.241265 0.922873 0.106909 Cl\n0.741265 0.077126 0.393091 Cl\n0.258735 0.422873 0.393091 Cl\n0.258735 0.922873 0.606908 Cl\n0.758735 0.077126 0.893091 Cl\n",
"nsites": 12,
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{
"id": "jvasp-22524",
"created_at": "2022-09-04T14:37:09.682628Z",
"updated_at": "2022-09-04T14:37:09.682655Z",
"structure_string": "Ca2 Cl4\n1.0\n4.160852 0.000000 0.000000\n0.000000 6.384321 0.000000\n0.000000 0.000000 6.384321\nCa Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.697515 0.697515 Cl\n0.500000 0.802484 0.197516 Cl\n0.000000 0.302484 0.302484 Cl\n0.500000 0.197516 0.802484 Cl\n",
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{
"id": "jvasp-55032",
"created_at": "2022-09-04T14:38:32.196742Z",
"updated_at": "2022-09-04T14:38:32.196766Z",
"structure_string": "Ca4 Cl8\n1.0\n4.383541 0.000000 0.000000\n-0.000000 7.218093 0.000000\n0.000000 0.000000 8.676430\nCa Cl\n4 8\ndirect\n0.250000 0.757506 0.896690 Ca\n0.250000 0.257506 0.603310 Ca\n0.750000 0.242493 0.103310 Ca\n0.750000 0.742493 0.396690 Ca\n0.750000 0.141199 0.419687 Cl\n0.250000 0.358800 0.919687 Cl\n0.250000 -0.141199 0.580313 Cl\n0.750000 0.641199 0.080313 Cl\n0.750000 0.012901 0.839650 Cl\n0.250000 -0.012901 0.160350 Cl\n0.750000 0.512901 0.660350 Cl\n0.250000 0.487098 0.339650 Cl\n",
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"formula_full": "Ca4 Cl8",
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