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{
"id": "jvasp-20622",
"created_at": "2022-09-04T14:38:13.200612Z",
"updated_at": "2022-09-04T14:38:13.200635Z",
"structure_string": "Lu2 Co4\n1.0\n4.272143 -0.000000 2.466523\n1.424048 4.027816 2.466523\n0.000000 -0.000000 4.933047\nLu Co\n2 4\ndirect\n0.874999 0.875001 0.874999 Lu\n0.125000 0.125000 0.125000 Lu\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000001 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n",
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{
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"updated_at": "2022-09-04T14:38:13.200614Z",
"structure_string": "Li4 V4 Co4 O16\n1.0\n5.866814 -0.000000 -0.000000\n0.000000 5.866814 -0.000000\n0.000000 -0.000000 8.132097\nLi V Co O\n4 4 4 16\ndirect\n-0.000004 0.241303 0.000000 Li\n0.000004 0.758696 0.500000 Li\n0.241303 0.000004 0.250000 Li\n0.758696 -0.000004 0.750000 Li\n0.220520 0.500002 0.249998 V\n0.499998 0.220520 -0.000002 V\n0.500002 0.779479 0.499998 V\n0.779479 0.499998 0.749998 V\n0.743967 0.743966 0.124997 Co\n0.743966 0.256032 0.374997 Co\n0.256033 0.743967 0.874998 Co\n0.256032 0.256033 0.624997 Co\n0.730531 0.977437 0.493240 O\n0.730525 0.022561 0.006756 O\n0.733515 0.488794 0.981295 O\n0.733515 0.511204 0.518701 O\n0.511205 0.733515 0.731295 O\n0.511204 0.266485 0.768701 O\n0.488796 0.733515 0.268701 O\n0.022563 0.730531 0.243240 O\n0.266484 0.511205 0.481295 O\n0.266485 0.488796 0.018700 O\n0.269474 0.977438 0.506756 O\n0.269469 0.022563 0.993240 O\n0.977437 0.269469 0.743240 O\n0.022561 0.269474 0.256756 O\n0.488794 0.266484 0.231295 O\n0.977438 0.730525 0.756756 O\n",
"nsites": 28,
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{
"id": "jvasp-5386",
"created_at": "2022-09-04T14:38:13.198055Z",
"updated_at": "2022-09-04T14:38:13.198072Z",
"structure_string": "Ti1 Br2\n1.0\n1.867133 -3.233968 -0.000000\n1.867133 3.233968 0.000000\n0.000000 0.000000 6.354524\nTi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.750557 Br\n0.666666 0.333332 0.249442 Br\n",
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"elements": [
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"density": 4.49375430286474,
"density_atomic": 0.03909284357104976,
"volume": 76.74038841783442,
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"formula_full": "Ti1 Br2",
"formula_reduced": "TiBr2",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-40494",
"created_at": "2022-09-04T14:38:13.197613Z",
"updated_at": "2022-09-04T14:38:13.197640Z",
"structure_string": "Ti3 P1 O7\n1.0\n4.033909 2.328979 2.359400\n-4.033909 2.328979 2.359400\n-0.000000 -4.657957 2.359400\nTi P O\n3 1 7\ndirect\n0.180681 0.535125 0.535115 Ti\n0.535125 0.535115 0.180681 Ti\n0.535114 0.180681 0.535125 Ti\n0.991280 0.991280 0.991281 P\n0.141798 0.826289 0.826259 O\n0.393087 0.793616 0.393072 O\n0.219228 0.219228 0.219228 O\n0.826289 0.826259 0.141798 O\n0.393072 0.393087 0.793616 O\n0.793616 0.393072 0.393087 O\n0.826259 0.141798 0.826289 O\n",
"nsites": 11,
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"elements": [
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"volume": 132.9977925437139,
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"formula_full": "Ti3 P1 O7",
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"formula_anonymous": "AB3C7",
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"spacegroup": 160
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{
"id": "jvasp-18222",
"created_at": "2022-09-04T14:38:13.192469Z",
"updated_at": "2022-09-04T14:38:13.192494Z",
"structure_string": "In2 Ni6\n1.0\n2.672027 -4.628087 0.000000\n2.672027 4.628087 0.000000\n-0.000000 0.000000 4.223508\nIn Ni\n2 6\ndirect\n0.333333 0.666668 0.750000 In\n0.666668 0.333333 0.250000 In\n0.313109 0.156554 0.750000 Ni\n0.156554 0.843447 0.250000 Ni\n0.156554 0.313109 0.250000 Ni\n0.843447 0.686892 0.750000 Ni\n0.843447 0.156554 0.750000 Ni\n0.686892 0.843447 0.250000 Ni\n",
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},
{
"id": "jvasp-43026",
"created_at": "2022-09-04T14:38:13.191987Z",
"updated_at": "2022-09-04T14:38:13.192017Z",
"structure_string": "Mn2 Al4 O8\n1.0\n5.834272 0.000000 0.000000\n2.917136 5.052687 -0.000002\n0.000000 -3.368377 4.763693\nMn Al O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.500000 0.750000 Mn\n0.375000 0.250000 0.375000 Al\n0.375000 0.249999 0.874999 Al\n0.375000 0.750000 0.375000 Al\n0.875000 0.750000 0.375000 Al\n0.141016 0.282039 0.141018 O\n0.173054 0.217961 0.608981 O\n0.141019 0.717961 0.576947 O\n0.141019 0.717962 0.141016 O\n0.608985 0.217961 0.608981 O\n0.576946 0.282039 0.141018 O\n0.608982 0.782039 0.608984 O\n0.608982 0.782040 0.173054 O\n",
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"elements": [
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],
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"volume": 140.42767709575418,
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"formula_full": "Mn2 Al4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-30189",
"created_at": "2022-09-04T14:38:13.180021Z",
"updated_at": "2022-09-04T14:38:13.180043Z",
"structure_string": "Tm2 Br2 O2\n1.0\n4.104770 0.000000 0.000000\n0.000000 3.765780 0.000000\n0.000000 0.000000 8.919378\nTm Br O\n2 2 2\ndirect\n0.250000 0.250000 0.114441 Tm\n0.750000 0.750000 0.885559 Tm\n0.250000 0.750000 0.344196 Br\n0.750000 0.250000 0.655804 Br\n0.250000 0.750000 0.973451 O\n0.750000 0.250000 0.026549 O\n",
"nsites": 6,
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"elements": [
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"Br",
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],
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"volume": 137.8727194087527,
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"formula_full": "Tm2 Br2 O2",
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"formula_anonymous": "ABC",
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"spacegroup": 59
},
{
"id": "jvasp-38895",
"created_at": "2022-09-04T14:38:13.179590Z",
"updated_at": "2022-09-04T14:38:13.179607Z",
"structure_string": "Tm2 Tl1 Cd1\n1.0\n-0.000000 3.695099 3.695099\n3.695099 0.000000 3.695099\n3.695099 3.695099 -0.000000\nTm Tl Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.750001 0.750001 0.750001 Tl\n0.250000 0.250000 0.250000 Cd\n",
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],
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"density": 10.773541193057271,
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"formula_full": "Tm2 Tl1 Cd1",
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{
"id": "jvasp-20637",
"created_at": "2022-09-04T14:38:13.179004Z",
"updated_at": "2022-09-04T14:38:13.179037Z",
"structure_string": "Ho1 Zn1\n1.0\n3.529924 0.000000 0.000000\n-0.000000 3.529924 -0.000000\n-0.000000 -0.000000 3.529924\nHo Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.499999 0.499999 0.499999 Zn\n",
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"formula_full": "Ho1 Zn1",
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{
"id": "jvasp-54582",
"created_at": "2022-09-04T14:38:13.173753Z",
"updated_at": "2022-09-04T14:38:13.173770Z",
"structure_string": "Ag2 Pb4 Br10\n1.0\n6.555162 0.000000 -2.768974\n-0.319687 7.992132 -0.756812\n-0.038190 0.004227 9.053295\nAg Pb Br\n2 4 10\ndirect\n0.500000 0.000000 0.500000 Ag\n-0.000000 0.500000 0.500000 Ag\n0.870867 0.064270 0.207175 Pb\n0.129132 0.935730 0.792825 Pb\n0.336307 0.564270 0.207175 Pb\n0.663692 0.435730 0.792825 Pb\n0.135808 0.819162 0.443137 Br\n0.925602 0.750000 0.000000 Br\n0.864191 0.180838 0.556863 Br\n0.293489 0.576990 0.825981 Br\n0.532492 0.076990 0.825981 Br\n0.706510 0.423011 0.174019 Br\n0.467507 0.923011 0.174019 Br\n0.692671 0.680838 0.556863 Br\n0.307328 0.319162 0.443137 Br\n0.074397 0.250000 0.000000 Br\n",
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"formula_full": "Ag2 Pb4 Br10",
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{
"id": "jvasp-53187",
"created_at": "2022-09-04T14:38:13.173196Z",
"updated_at": "2022-09-04T14:38:13.173225Z",
"structure_string": "K4 S2 O8\n1.0\n5.759328 -0.081452 -0.054392\n-2.950203 5.109902 0.108783\n0.072266 -0.125168 7.865397\nK S O\n4 2 8\ndirect\n0.382146 0.691073 0.750000 K\n0.000000 0.000000 0.000000 K\n0.000000 -0.000000 0.500000 K\n0.617856 0.308927 0.250000 K\n0.302651 0.651326 0.250000 S\n0.697350 0.348674 0.750000 S\n0.126408 0.769001 0.250001 O\n0.475591 0.737793 0.403910 O\n0.475591 0.737798 0.096090 O\n0.126407 0.357406 0.249999 O\n0.873594 0.642594 0.750002 O\n0.524410 0.262206 0.596090 O\n0.524410 0.262202 0.903911 O\n0.873594 0.230999 0.749999 O\n",
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{
"id": "jvasp-109690",
"created_at": "2022-09-04T14:38:13.170392Z",
"updated_at": "2022-09-04T14:38:13.170416Z",
"structure_string": "Sm1 Th1 C1 N1\n1.0\n3.549229 -0.001432 5.287660\n1.609016 3.163558 5.287660\n-0.002336 -0.001432 6.368388\nSm Th C N\n1 1 1 1\ndirect\n0.749838 0.749840 0.749838 Sm\n0.249059 0.249059 0.249059 Th\n0.997467 0.997470 0.997467 C\n0.503634 0.503636 0.503634 N\n",
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}