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{
"id": "jvasp-30762",
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"updated_at": "2022-09-04T14:37:57.996484Z",
"structure_string": "Zn2 Ge4 W2 O12\n1.0\n4.887977 -0.438758 0.616691\n0.445564 7.627465 1.603978\n-0.918950 0.980887 7.690441\nZn Ge W O\n2 4 2 12\ndirect\n0.750000 0.365962 0.634038 Zn\n0.250000 0.634038 0.365962 Zn\n0.709091 0.419975 0.197204 Ge\n0.790909 0.802795 0.580025 Ge\n0.290909 0.580025 0.802796 Ge\n0.209091 0.197204 0.419975 Ge\n0.750000 0.893678 0.106322 W\n0.250000 0.106322 0.893678 W\n0.535810 0.965828 0.857201 O\n0.964190 0.142799 0.034172 O\n0.562499 0.671957 0.176962 O\n0.937501 0.823038 0.328043 O\n0.437501 0.328043 0.823038 O\n0.962164 0.563493 0.675713 O\n0.037836 0.436507 0.324287 O\n0.462164 0.675713 0.563493 O\n0.035810 0.857200 0.965829 O\n0.537836 0.324286 0.436507 O\n0.062499 0.176962 0.671957 O\n0.464189 0.034172 0.142799 O\n",
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{
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"updated_at": "2022-09-04T14:36:48.661357Z",
"structure_string": "Zn2 Ge2 P4\n1.0\n5.015267 0.000000 -2.276184\n-1.033048 4.907720 -2.276184\n0.009233 0.011379 6.683670\nZn Ge P\n2 2 4\ndirect\n0.250000 0.750000 0.500001 Zn\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500001 Ge\n0.500000 0.500000 0.000001 Ge\n0.625000 0.128020 0.750001 P\n0.871981 0.875000 0.250001 P\n0.378019 0.375000 0.250000 P\n0.125000 0.621981 0.750000 P\n",
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"volume": 164.76848265396794,
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"formula_full": "Zn2 Ge2 P4",
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{
"id": "jvasp-10235",
"created_at": "2022-09-04T14:36:54.335969Z",
"updated_at": "2022-09-04T14:36:54.335991Z",
"structure_string": "Zn2 Ge2 O6\n1.0\n4.470347 -0.010812 3.196873\n1.638190 4.159381 3.196873\n-0.015920 -0.010812 5.495793\nZn Ge O\n2 2 6\ndirect\n0.368667 0.368668 0.368666 Zn\n0.631333 0.631333 0.631331 Zn\n0.155713 0.155713 0.155713 Ge\n0.844287 0.844287 0.844285 Ge\n0.046611 0.784196 0.439175 O\n0.784197 0.439176 0.046610 O\n0.439175 0.046611 0.784195 O\n0.953390 0.215804 0.560823 O\n0.560825 0.953389 0.215802 O\n0.215804 0.560825 0.953388 O\n",
"nsites": 10,
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"elements": [
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"density": 6.02245589184929,
"density_atomic": 0.09747009660489714,
"volume": 102.59556877773296,
"volume_molar": 6.17844956531769,
"formula_full": "Zn2 Ge2 O6",
"formula_reduced": "ZnGeO3",
"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-35194",
"created_at": "2022-09-04T14:38:32.122559Z",
"updated_at": "2022-09-04T14:38:32.122585Z",
"structure_string": "Zn2 Ge2 O6\n1.0\n-2.544634 -4.407436 -0.000000\n-5.089269 -0.000000 -0.000000\n-2.544634 -1.469145 -4.409020\nZn Ge O\n2 2 6\ndirect\n0.723455 0.723454 0.829634 Zn\n0.223455 0.223455 0.329634 Zn\n0.498731 0.498731 0.503806 Ge\n0.998732 0.998730 0.003806 Ge\n0.272945 0.633346 0.219586 O\n0.874122 0.272944 0.219586 O\n0.633347 0.874121 0.219586 O\n0.133346 0.772945 0.719586 O\n0.374121 0.133346 0.719586 O\n0.772945 0.374120 0.719586 O\n",
"nsites": 10,
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"elements": [
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"density": 6.247679480896578,
"density_atomic": 0.10111521503770311,
"volume": 98.89708483803622,
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"formula_full": "Zn2 Ge2 O6",
"formula_reduced": "ZnGeO3",
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"spacegroup": 161
},
{
"id": "jvasp-61342",
"created_at": "2022-09-04T14:35:57.870346Z",
"updated_at": "2022-09-04T14:35:57.870373Z",
"structure_string": "Zn2 Ge2 As4\n1.0\n5.746367 0.000091 -0.000925\n0.000017 5.746367 -0.000886\n-2.872386 -2.872460 5.683341\nZn Ge As\n2 2 4\ndirect\n0.000055 -0.000033 0.000003 Zn\n0.249967 0.750056 0.500002 Zn\n0.500012 0.499967 -0.000001 Ge\n0.749967 0.250012 0.499999 Ge\n0.875530 0.875017 0.249985 As\n0.374425 0.375027 0.250012 As\n0.625029 0.124424 0.750011 As\n0.125012 0.625530 0.749984 As\n",
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"density": 5.095510948135339,
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"volume": 187.638197596008,
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"formula_full": "Zn2 Ge2 As4",
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"spacegroup": 122
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{
"id": "jvasp-8051",
"created_at": "2022-09-04T14:37:07.085313Z",
"updated_at": "2022-09-04T14:37:07.085330Z",
"structure_string": "Zn2 Ge2 As4\n1.0\n5.233855 -0.000000 -2.372554\n-1.075500 5.122162 -2.372554\n0.012040 0.014831 6.985780\nZn Ge As\n2 2 4\ndirect\n0.250000 0.750000 0.500001 Zn\n0.000000 0.000000 0.000000 Zn\n0.750001 0.250000 0.500001 Ge\n0.500000 0.500000 0.000001 Ge\n0.875554 0.875000 0.250001 As\n0.625001 0.124447 0.750001 As\n0.125000 0.625553 0.750000 As\n0.374447 0.375000 0.250000 As\n",
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{
"id": "jvasp-8828",
"created_at": "2022-09-04T14:37:06.973232Z",
"updated_at": "2022-09-04T14:37:06.973257Z",
"structure_string": "Zn2 Ge1 Se4\n1.0\n8.056737 0.000000 -0.000000\n8.056737 6.697189 -0.197957\n4.028369 4.371447 3.091025\nZn Ge Se\n2 1 4\ndirect\n-0.000003 0.000002 0.000001 Zn\n0.499999 0.000002 0.000001 Zn\n0.250000 0.500003 -0.000004 Ge\n0.392243 0.500001 0.229942 Se\n0.107751 0.014442 0.255614 Se\n0.877815 0.500001 0.229942 Se\n0.622196 0.985554 0.284502 Se\n",
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"density_atomic": 0.040286397630855675,
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"formula_full": "Zn2 Ge1 Se4",
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"spacegroup": 121
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{
"id": "jvasp-53602",
"created_at": "2022-09-04T14:37:07.963258Z",
"updated_at": "2022-09-04T14:37:07.963285Z",
"structure_string": "Zn2 Ge1 S4\n1.0\n5.449958 0.003314 -0.002196\n-0.003227 5.450433 -0.002410\n-2.721270 -2.724686 5.055289\nZn Ge S\n2 1 4\ndirect\n0.998289 -0.000191 -0.000974 Zn\n0.498262 0.499749 0.998935 Zn\n0.248271 0.749772 0.498972 Ge\n0.613931 0.115410 0.730969 S\n0.114645 0.616172 0.731001 S\n0.882629 0.883390 0.266986 S\n0.381926 0.384144 0.266987 S\n",
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{
"id": "jvasp-105953",
"created_at": "2022-09-04T14:35:43.427393Z",
"updated_at": "2022-09-04T14:35:43.427410Z",
"structure_string": "Zn2 Ge1 S3\n1.0\n3.844483 -0.000000 0.000000\n-1.922241 3.329420 -0.000000\n-0.000000 0.000000 10.536268\nZn Ge S\n2 1 3\ndirect\n0.666667 0.333333 0.352370 Zn\n0.333333 0.666667 0.648825 Zn\n0.000000 0.000000 0.001378 Ge\n0.000000 0.000000 0.283557 S\n0.666667 0.333333 0.583482 S\n0.333333 0.666667 0.880389 S\n",
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},
{
"id": "jvasp-9739",
"created_at": "2022-09-04T14:37:07.586261Z",
"updated_at": "2022-09-04T14:37:07.586286Z",
"structure_string": "Zn2 Ga4 O8\n1.0\n5.161953 0.000000 2.980256\n1.720651 4.866737 2.980256\n-0.000000 -0.000000 5.960510\nZn Ga O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Zn\n0.874999 0.875001 0.875001 Zn\n0.500000 0.500000 0.000001 Ga\n0.500000 0.500000 0.500001 Ga\n-0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500001 Ga\n0.738478 0.738479 0.738479 O\n0.261522 0.261522 0.715436 O\n0.261521 0.715436 0.261522 O\n0.715435 0.261522 0.261523 O\n0.738478 0.284565 0.738479 O\n0.284564 0.738479 0.738479 O\n0.261522 0.261522 0.261522 O\n0.738478 0.738479 0.284566 O\n",
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"volume": 149.7391433903768,
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{
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"created_at": "2022-09-04T14:35:42.747144Z",
"updated_at": "2022-09-04T14:35:42.747170Z",
"structure_string": "Zn2 Ga2 S5\n1.0\n-3.193072 1.843521 -0.000000\n0.000000 3.687041 -0.000000\n-1.064358 1.843521 -15.135933\nZn Ga S\n2 2 5\ndirect\n0.866289 0.866289 0.401130 Zn\n0.133711 0.133710 0.598869 Zn\n0.724023 0.724022 0.827932 Ga\n0.275977 0.275977 0.172068 Ga\n0.500000 0.500000 0.500000 S\n0.772735 0.772734 0.681795 S\n0.227265 0.227265 0.318205 S\n0.631898 0.631898 0.104304 S\n0.368102 0.368101 0.895695 S\n",
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{
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"created_at": "2022-09-04T14:35:48.864210Z",
"updated_at": "2022-09-04T14:35:48.864235Z",
"structure_string": "Zn2 Ga2 S5\n1.0\n-1.869664 3.238352 -0.000000\n-3.739327 -0.000000 -0.000000\n-1.869664 1.079451 15.034906\nZn Ga S\n2 2 5\ndirect\n0.311441 0.311441 0.065678 Zn\n0.482475 0.482475 0.552574 Zn\n0.896435 0.896435 0.310695 Ga\n0.076343 0.076342 0.770972 Ga\n0.995010 0.995011 0.014967 S\n0.532332 0.532332 0.403003 S\n0.389788 0.389788 0.830634 S\n0.256390 0.256390 0.230828 S\n0.127783 0.127783 0.616649 S\n",
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}
]
}