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{
"id": "jvasp-42029",
"created_at": "2022-09-04T14:37:36.390816Z",
"updated_at": "2022-09-04T14:37:36.390826Z",
"structure_string": "Pr1 Mg1 Zn2\n1.0\n0.000000 3.502237 3.502237\n3.502237 0.000000 3.502237\n3.502237 3.502237 0.000000\nPr Mg Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n",
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{
"id": "jvasp-40550",
"created_at": "2022-09-04T14:38:03.685884Z",
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"structure_string": "La1 Mg1 Hg2\n1.0\n-0.000000 3.705841 3.705841\n3.705841 0.000000 3.705841\n3.705841 3.705841 -0.000000\nLa Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 La\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-38084",
"created_at": "2022-09-04T14:38:03.718685Z",
"updated_at": "2022-09-04T14:38:03.718704Z",
"structure_string": "Rb2 Na1 In1 Cl6\n1.0\n-0.000000 5.209365 5.209365\n5.209365 -0.000000 5.209365\n5.209365 5.209365 0.000000\nRb Na In Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750001 0.750001 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.242539 0.757461 0.757461 Cl\n0.242539 0.757461 0.242539 Cl\n0.757461 0.242539 0.757461 Cl\n0.757461 0.757461 0.242539 Cl\n0.242539 0.242539 0.757461 Cl\n0.757461 0.242539 0.242539 Cl\n",
"nsites": 10,
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"formula_full": "Rb2 Na1 In1 Cl6",
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{
"id": "jvasp-14063",
"created_at": "2022-09-04T14:37:35.265348Z",
"updated_at": "2022-09-04T14:37:35.265379Z",
"structure_string": "K4 Hg4 F12\n1.0\n6.453195 0.000000 0.000000\n0.000000 6.455041 0.000000\n0.000000 0.000000 9.128934\nK Hg F\n4 4 12\ndirect\n0.000000 0.000000 0.250000 K\n0.500000 0.500000 0.250000 K\n0.500000 0.500000 0.750000 K\n0.000000 0.000000 0.750000 K\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.250000 F\n0.500000 0.000000 0.250000 F\n0.750001 0.750000 0.500000 F\n0.750001 0.750000 0.000000 F\n0.250000 0.750000 0.500000 F\n0.750001 0.250000 0.000000 F\n0.250000 0.250000 0.500000 F\n0.250000 0.250000 0.000000 F\n0.750001 0.250000 0.500000 F\n0.250000 0.750000 0.000000 F\n0.000000 0.500000 0.750000 F\n0.500000 0.000000 0.750000 F\n",
"nsites": 20,
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"elements": [
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"density": 5.182133962306109,
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"volume": 380.2715728233001,
"volume_molar": 11.450244692842519,
"formula_full": "K4 Hg4 F12",
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"spacegroup": 221
},
{
"id": "jvasp-37764",
"created_at": "2022-09-04T14:38:03.390395Z",
"updated_at": "2022-09-04T14:38:03.390413Z",
"structure_string": "Na6 Dy2 Cl12\n1.0\n0.000000 6.750266 -0.002178\n7.261327 0.000000 0.000000\n0.000000 -6.560373 -10.091726\nNa Dy Cl\n6 2 12\ndirect\n0.710387 0.913343 0.242904 Na\n0.289614 0.413343 0.257097 Na\n0.289615 0.086657 0.757097 Na\n0.710387 0.586657 0.742904 Na\n0.500001 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.246995 0.808446 0.578990 Cl\n0.753007 0.308446 0.921011 Cl\n0.388303 0.320360 0.569034 Cl\n0.611699 0.820360 0.930967 Cl\n0.611698 0.679640 0.430966 Cl\n0.094901 0.062581 0.241680 Cl\n0.094901 0.437419 0.741680 Cl\n0.905101 0.937419 0.758321 Cl\n0.246995 0.691554 0.078990 Cl\n0.905101 0.562581 0.258321 Cl\n0.388303 0.179640 0.069034 Cl\n0.753006 0.191554 0.421010 Cl\n",
"nsites": 20,
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"volume": 494.75867245810304,
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{
"id": "jvasp-41855",
"created_at": "2022-09-04T14:37:35.239366Z",
"updated_at": "2022-09-04T14:37:35.239394Z",
"structure_string": "Ac2 Cd1 Sn1\n1.0\n0.000000 4.074510 4.074510\n4.074510 0.000000 4.074510\n4.074510 4.074510 0.000000\nAc Cd Sn\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 Cd\n0.749999 0.749999 0.749999 Sn\n",
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{
"id": "jvasp-35605",
"created_at": "2022-09-04T14:37:35.184652Z",
"updated_at": "2022-09-04T14:37:35.184677Z",
"structure_string": "Zr1 Zn1 F6\n1.0\n-4.064352 -4.064352 -0.000000\n-4.064352 -0.000000 -4.064352\n-0.000000 -4.064352 -4.064352\nZr Zn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zn\n0.750807 0.750807 0.249192 F\n0.249192 0.249192 0.750807 F\n0.750807 0.249192 0.750807 F\n0.249192 0.750807 0.249192 F\n0.249192 0.750807 0.750807 F\n0.750807 0.249192 0.249192 F\n",
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"volume": 134.2777133041144,
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"formula_full": "Zr1 Zn1 F6",
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},
{
"id": "jvasp-40860",
"created_at": "2022-09-04T14:37:35.180200Z",
"updated_at": "2022-09-04T14:37:35.180220Z",
"structure_string": "Na1 Pm1 Tl2\n1.0\n0.000000 3.800458 3.800458\n3.800458 0.000000 3.800458\n3.800458 3.800458 0.000000\nNa Pm Tl\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Na\n0.749999 0.749999 0.749999 Pm\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
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{
"id": "jvasp-23372",
"created_at": "2022-09-04T14:37:35.824314Z",
"updated_at": "2022-09-04T14:37:35.824335Z",
"structure_string": "Ca2 In8 Pd2\n1.0\n4.377666 0.000000 -1.174476\n0.000000 7.606844 -0.000000\n-0.005424 -0.000000 8.725537\nCa In Pd\n2 8 2\ndirect\n0.870550 0.250000 0.741098 Ca\n0.129452 0.750000 0.258902 Ca\n0.682140 0.047332 0.364278 In\n0.317861 0.952668 0.635723 In\n0.317861 0.547331 0.635723 In\n0.682140 0.452668 0.364278 In\n0.063110 0.250000 0.126219 In\n0.936892 0.750000 0.873781 In\n0.500000 0.000000 -0.000000 In\n0.500000 0.500000 -0.000000 In\n0.224992 0.250000 0.449982 Pd\n0.775010 0.750000 0.550019 Pd\n",
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{
"id": "jvasp-21974",
"created_at": "2022-09-04T14:37:35.047339Z",
"updated_at": "2022-09-04T14:37:35.047363Z",
"structure_string": "Rb2 Th1 F6\n1.0\n3.423156 -5.929081 0.000000\n3.423156 5.929081 -0.000000\n0.000000 0.000000 3.839451\nRb Th F\n2 1 6\ndirect\n0.333334 0.666668 0.500000 Rb\n0.666668 0.333334 0.500000 Rb\n0.000000 0.000000 0.000000 Th\n0.000000 0.221375 0.500000 F\n0.778626 0.778626 0.500000 F\n0.221375 0.000000 0.500000 F\n0.662507 0.000000 0.000000 F\n0.337494 0.337494 0.000000 F\n0.000000 0.662507 0.000000 F\n",
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{
"id": "jvasp-41307",
"created_at": "2022-09-04T14:37:34.949148Z",
"updated_at": "2022-09-04T14:37:34.949173Z",
"structure_string": "Na1 Sm1 Hg2\n1.0\n0.000000 3.678339 3.678339\n3.678339 0.000000 3.678339\n3.678339 3.678339 0.000000\nNa Sm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
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{
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"created_at": "2022-09-04T14:37:15.846769Z",
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"structure_string": "Mg2 Co2 F8\n1.0\n-4.946119 0.007105 -0.015754\n-0.007426 -4.946143 -0.021950\n2.459408 2.445451 5.449681\nMg Co F\n2 2 8\ndirect\n0.719294 0.717639 0.433597 Mg\n0.287155 0.285507 0.569330 Mg\n-0.031807 0.466539 0.931372 Co\n0.538271 0.036603 0.071526 Co\n0.636946 0.578693 0.658002 F\n0.826415 0.772267 0.167858 F\n0.346448 0.397280 0.167851 F\n0.426050 0.978737 0.344877 F\n0.026036 0.081001 0.657994 F\n0.232470 0.658408 0.835029 F\n0.607545 0.178345 0.835038 F\n0.923826 0.367815 0.344872 F\n",
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}