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{
"id": "jvasp-48187",
"created_at": "2022-09-04T14:35:44.370348Z",
"updated_at": "2022-09-04T14:35:44.370369Z",
"structure_string": "Li2 Co2 Ge2 O8\n1.0\n0.000000 5.104912 0.023753\n5.370714 0.000000 0.000000\n0.000000 -5.117188 -6.597528\nLi Co Ge O\n2 2 2 8\ndirect\n0.503199 0.833555 0.003092 Li\n0.503199 0.166444 0.503093 Li\n0.995808 0.163887 0.999490 Co\n0.995808 0.836112 0.499490 Co\n0.749530 0.671476 0.753379 Ge\n0.749530 0.328523 0.253379 Ge\n0.393047 0.726685 0.742882 O\n0.088909 0.163669 0.470618 O\n0.832651 0.651438 0.263380 O\n0.670749 0.176544 0.037030 O\n0.393047 0.273315 0.242882 O\n0.088909 0.836331 0.970618 O\n0.832651 0.348562 0.763380 O\n0.670749 0.823455 0.537030 O\n",
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{
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"structure_string": "Li2 Co3 Te1 O8\n1.0\n5.930991 0.081872 0.057892\n3.036399 5.095453 0.057892\n3.036399 1.753066 4.784742\nLi Co Te O\n2 3 1 8\ndirect\n0.131104 0.131104 0.131104 Li\n0.868897 0.868896 0.868895 Li\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.500000 0.500000 0.499999 Te\n0.268484 0.268484 0.268484 O\n0.259099 0.259099 0.717957 O\n0.259099 0.717957 0.259099 O\n0.717957 0.259099 0.259099 O\n0.282043 0.740901 0.740900 O\n0.740901 0.282043 0.740900 O\n0.740902 0.740901 0.282042 O\n0.731517 0.731516 0.731515 O\n",
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],
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"formula_anonymous": "AB2C3D8",
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},
{
"id": "jvasp-86352",
"created_at": "2022-09-04T14:35:44.383986Z",
"updated_at": "2022-09-04T14:35:44.384002Z",
"structure_string": "Ho6 Ge8\n1.0\n4.048174 0.000000 0.000000\n-2.024087 5.307540 0.000000\n0.000000 -0.000000 14.248574\nHo Ge\n6 8\ndirect\n0.950682 0.901369 0.250000 Ho\n0.049316 0.098631 0.750000 Ho\n0.331835 0.663672 0.596586 Ho\n0.668163 0.336328 0.403414 Ho\n0.668163 0.336328 0.096586 Ho\n0.331835 0.663672 0.903413 Ho\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.220478 0.440958 0.250000 Ge\n0.779520 0.559042 0.750000 Ge\n0.378248 0.756497 0.390926 Ge\n0.621750 0.243503 0.609074 Ge\n0.378248 0.756497 0.109074 Ge\n0.621750 0.243503 0.890926 Ge\n",
"nsites": 14,
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"elements": [
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"volume": 306.1426585898441,
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"formula_anonymous": "A3B4",
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"spacegroup": 63
},
{
"id": "jvasp-42295",
"created_at": "2022-09-04T14:35:43.369033Z",
"updated_at": "2022-09-04T14:35:43.369051Z",
"structure_string": "Li2 Cr3 Cu1 O8\n1.0\n5.870909 0.048820 0.034522\n2.977735 5.059946 0.034522\n2.977735 1.719196 4.759056\nLi Cr Cu O\n2 3 1 8\ndirect\n0.123975 0.123975 0.123975 Li\n0.876023 0.876026 0.876025 Li\n-0.000001 0.500001 0.500000 Cr\n0.499999 0.000000 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.499999 0.500001 0.500000 Cu\n0.261809 0.261810 0.261810 O\n0.253017 0.253019 0.711583 O\n0.253017 0.711584 0.253018 O\n0.711582 0.253019 0.253018 O\n0.288415 0.746983 0.746982 O\n0.746980 0.288418 0.746982 O\n0.746980 0.746982 0.288417 O\n0.738188 0.738191 0.738190 O\n",
"nsites": 14,
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],
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"density": 4.286817745020134,
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"volume": 139.9961347938498,
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"formula_full": "Li2 Cr3 Cu1 O8",
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"formula_anonymous": "AB2C3D8",
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{
"id": "jvasp-48166",
"created_at": "2022-09-04T14:35:41.426912Z",
"updated_at": "2022-09-04T14:35:41.426938Z",
"structure_string": "Li1 Mn5 O3 F5\n1.0\n-0.012728 4.475342 4.475342\n4.456801 0.034823 4.426557\n4.456801 4.426557 0.034823\nLi Mn O F\n1 5 3 5\ndirect\n0.647271 0.608413 0.608413 Li\n0.992844 0.968586 0.968586 Mn\n0.219279 0.288791 0.288791 Mn\n0.638905 0.133490 0.613532 Mn\n0.638905 0.613532 0.133490 Mn\n0.129438 0.625421 0.625421 Mn\n0.383787 0.399813 0.399813 O\n0.847087 0.387689 0.387689 O\n0.860968 0.848932 0.848932 O\n0.387029 0.871674 0.392168 F\n0.387029 0.392168 0.871674 F\n0.865684 0.378381 0.863904 F\n0.865684 0.863904 0.378381 F\n0.386090 0.869203 0.869203 F\n",
"nsites": 14,
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"density_atomic": 0.07979850817941948,
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"formula_full": "Li1 Mn5 O3 F5",
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{
"id": "jvasp-48745",
"created_at": "2022-09-04T14:35:44.424548Z",
"updated_at": "2022-09-04T14:35:44.424561Z",
"structure_string": "Li2 V2 Cu2 O8\n1.0\n5.067757 -0.093366 0.000000\n1.910724 4.694679 0.000000\n0.000000 -0.000000 6.310575\nLi V Cu O\n2 2 2 8\ndirect\n0.332143 0.332143 0.750001 Li\n0.667857 0.667857 0.250000 Li\n0.350623 0.350623 0.250000 V\n0.649377 0.649376 0.750001 V\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.233983 0.233983 0.025103 O\n0.233983 0.233983 0.474898 O\n0.241305 0.722244 0.250000 O\n0.277755 0.758695 0.750001 O\n0.722245 0.241305 0.250000 O\n0.758695 0.277755 0.750001 O\n0.766017 0.766017 0.974898 O\n0.766017 0.766017 0.525103 O\n",
"nsites": 14,
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],
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"density": 4.071130287786538,
"density_atomic": 0.09255354967653236,
"volume": 151.26378241492563,
"volume_molar": 6.50665563994782,
"formula_full": "Li2 V2 Cu2 O8",
"formula_reduced": "LiVCuO4",
"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-97983",
"created_at": "2022-09-04T14:35:41.570938Z",
"updated_at": "2022-09-04T14:35:41.570954Z",
"structure_string": "Er6 Fe2 Si6\n1.0\n4.071110 0.000000 0.670524\n2.007176 5.187230 0.507568\n0.006074 -0.044655 12.657327\nEr Fe Si\n6 2 6\ndirect\n0.748736 0.732111 0.770417 Er\n0.251264 0.267890 0.229583 Er\n0.523761 0.332192 0.620286 Er\n0.476239 0.667809 0.379714 Er\n0.399152 0.282652 0.919044 Er\n0.600848 0.717349 0.080956 Er\n0.753060 0.078505 0.415375 Fe\n0.246940 0.921496 0.584625 Fe\n0.144793 0.254408 0.456005 Si\n0.855206 0.745593 0.543995 Si\n0.115566 0.844127 0.924741 Si\n0.884433 0.155875 0.075259 Si\n0.054279 0.133744 0.757697 Si\n0.945721 0.866257 0.242303 Si\n",
"nsites": 14,
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],
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"density_atomic": 0.05237448236516635,
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"formula_full": "Er6 Fe2 Si6",
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},
{
"id": "jvasp-86016",
"created_at": "2022-09-04T14:35:43.244365Z",
"updated_at": "2022-09-04T14:35:43.244390Z",
"structure_string": "Fe2 W2 Cl2 O8\n1.0\n5.350077 0.000000 -0.000000\n0.000000 6.730416 -0.000000\n0.000000 0.000000 6.730416\nFe W Cl O\n2 2 2 8\ndirect\n0.281944 0.250000 0.250000 Fe\n0.718056 0.750000 0.750000 Fe\n0.000000 0.250000 0.750000 W\n0.000000 0.750000 0.250000 W\n0.305135 0.750000 0.750000 Cl\n0.694865 0.250000 0.250000 Cl\n0.198499 0.250000 0.534623 O\n0.198499 0.965378 0.250000 O\n0.801501 0.034622 0.750000 O\n0.801501 0.465378 0.750000 O\n0.801501 0.750000 0.465378 O\n0.198499 0.534623 0.250000 O\n0.198499 0.250000 0.965378 O\n0.801501 0.750000 0.034622 O\n",
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],
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"volume": 242.3504604863136,
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"formula_full": "Fe2 W2 Cl2 O8",
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{
"id": "jvasp-43616",
"created_at": "2022-09-04T14:35:47.529494Z",
"updated_at": "2022-09-04T14:35:47.529516Z",
"structure_string": "Li2 Fe2 Sb2 O8\n1.0\n5.980643 0.000000 0.000000\n2.990322 5.434105 -0.009380\n2.990322 1.802525 5.126451\nLi Fe Sb O\n2 2 2 8\ndirect\n0.141642 0.108358 0.108358 Li\n0.858357 0.891642 0.891642 Li\n-0.000000 0.500000 0.500000 Fe\n0.499999 0.500000 0.500000 Fe\n0.500000 -0.000000 0.500000 Sb\n0.499999 0.500000 0.000000 Sb\n0.262503 0.256116 0.256116 O\n0.273843 0.245360 0.706953 O\n0.273843 0.706953 0.245361 O\n0.725265 0.256116 0.256116 O\n0.274734 0.743884 0.743884 O\n0.726156 0.754640 0.293047 O\n0.726156 0.293047 0.754639 O\n0.737496 0.743884 0.743884 O\n",
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],
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{
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"created_at": "2022-09-04T14:35:42.820666Z",
"updated_at": "2022-09-04T14:35:42.820698Z",
"structure_string": "Ti5 Tl1 Se8\n1.0\n3.518450 0.000000 -0.671603\n-0.419659 8.902946 -2.198543\n0.005971 -0.008909 9.583449\nTi Tl Se\n5 1 8\ndirect\n0.500000 0.500000 0.000000 Ti\n0.153273 0.496029 0.306547 Ti\n0.208631 0.849783 0.417263 Ti\n0.791368 0.150217 0.582738 Ti\n0.846726 0.503972 0.693454 Ti\n0.000000 0.000000 0.000000 Tl\n0.926754 0.322846 0.853508 Se\n0.339408 -0.000279 0.678817 Se\n0.660591 0.000279 0.321183 Se\n0.741867 0.662485 0.483737 Se\n0.258132 0.337516 0.516264 Se\n0.413698 0.681795 0.827398 Se\n0.586301 0.318206 0.172603 Se\n0.073247 0.677154 0.146493 Se\n",
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{
"id": "jvasp-48430",
"created_at": "2022-09-04T14:35:42.742876Z",
"updated_at": "2022-09-04T14:35:42.742905Z",
"structure_string": "Li2 Co4 O2 F6\n1.0\n0.000000 4.184491 4.184491\n4.322237 -0.137746 4.322237\n4.184491 4.184491 0.000000\nLi Co O F\n2 4 2 6\ndirect\n0.979893 0.060322 0.979893 Li\n0.270106 0.189678 0.270106 Li\n0.625000 0.625001 0.125000 Co\n0.625000 0.125000 0.625000 Co\n0.125000 0.625001 0.625000 Co\n0.625000 0.625001 0.625000 Co\n0.851565 0.445307 0.851565 O\n0.398434 0.804694 0.398434 O\n0.381903 0.354358 0.381903 F\n0.881836 0.354358 0.381903 F\n0.868096 0.895643 0.368163 F\n0.381903 0.354358 0.881836 F\n0.368163 0.895643 0.868096 F\n0.868096 0.895643 0.868096 F\n",
"nsites": 14,
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],
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"volume": 153.7763641994738,
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"formula_full": "Li2 Co4 O2 F6",
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"spacegroup": 166
},
{
"id": "jvasp-48182",
"created_at": "2022-09-04T14:35:46.491427Z",
"updated_at": "2022-09-04T14:35:46.491444Z",
"structure_string": "Li1 V1 P3 O9\n1.0\n5.085331 2.936017 2.299606\n-5.085331 2.936017 2.299606\n0.000000 -5.872034 2.299606\nLi V P O\n1 1 3 9\ndirect\n0.370836 0.370836 0.370836 Li\n0.995299 0.995299 0.995297 V\n0.038489 0.912393 0.486070 P\n0.912393 0.486071 0.038488 P\n0.486071 0.038489 0.912393 P\n0.269851 0.872940 0.639474 O\n0.087826 0.382410 0.131790 O\n0.634423 0.899908 0.964296 O\n0.899909 0.964297 0.634421 O\n0.131790 0.087826 0.382409 O\n0.872940 0.639475 0.269850 O\n0.382410 0.131790 0.087826 O\n0.964297 0.634423 0.899907 O\n0.639475 0.269851 0.872938 O\n",
"nsites": 14,
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],
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"formula_full": "Li1 V1 P3 O9",
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}
]
}