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{
"id": "jvasp-92252",
"created_at": "2022-09-04T14:35:59.678227Z",
"updated_at": "2022-09-04T14:35:59.678256Z",
"structure_string": "Li3 Mn1 O2 F2\n1.0\n-0.000003 1.988879 1.988880\n-4.397091 0.029130 -4.006885\n-4.397091 -4.006883 0.029130\nLi Mn O F\n3 1 2 2\ndirect\n0.000132 0.500598 0.000537 Li\n0.000149 0.500564 0.500564 Li\n0.000131 0.000537 0.500598 Li\n0.000274 0.000639 0.000644 Mn\n0.500338 0.772490 0.228847 O\n0.500337 0.228848 0.772489 O\n0.525904 0.263463 0.263463 F\n0.474674 0.737846 0.737846 F\n",
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"formula_full": "Li3 Mn1 O2 F2",
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{
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"updated_at": "2022-09-04T14:38:49.146740Z",
"structure_string": "Ta1 Mn1 O4\n1.0\n-1.941667 1.941667 4.681133\n1.941667 -1.941667 4.681133\n1.941667 1.941667 -4.681133\nTa Mn O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750002 0.250000 0.500002 Mn\n0.961720 0.461718 0.500002 O\n0.786087 0.786087 0.000000 O\n0.538283 0.038281 0.500002 O\n0.213912 0.213912 0.000000 O\n",
"nsites": 6,
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{
"id": "jvasp-74020",
"created_at": "2022-09-04T14:35:41.912945Z",
"updated_at": "2022-09-04T14:35:41.912981Z",
"structure_string": "Ti2 Be1 Pb1\n1.0\n3.474347 0.000000 0.000000\n0.000000 3.474347 -0.000000\n0.000000 0.000000 5.848190\nTi Be Pb\n2 1 1\ndirect\n0.000000 0.000000 0.046754 Ti\n0.500000 0.500000 0.250359 Ti\n0.000000 0.000000 0.462257 Be\n0.500000 0.500000 0.740629 Pb\n",
"nsites": 4,
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"density": 7.337716281249617,
"density_atomic": 0.056662030654889874,
"volume": 70.59401072938434,
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"formula_full": "Ti2 Be1 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-118822",
"created_at": "2022-09-04T14:38:53.490782Z",
"updated_at": "2022-09-04T14:38:53.490809Z",
"structure_string": "Nb1 Zn1 O4\n1.0\n3.292859 -3.479179 0.000000\n3.292859 3.479179 0.000000\n0.000000 0.000000 3.081127\nNb Zn O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Zn\n0.196953 0.196953 0.500000 O\n0.687860 0.312141 0.000000 O\n0.312141 0.687860 0.000000 O\n0.803048 0.803048 0.500000 O\n",
"nsites": 6,
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"elements": [
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"density": 5.229069502718588,
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"volume": 70.5975294668275,
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"formula_anonymous": "ABC4",
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"spacegroup": 65
},
{
"id": "jvasp-41882",
"created_at": "2022-09-04T14:37:35.452022Z",
"updated_at": "2022-09-04T14:37:35.452045Z",
"structure_string": "Cd1 In1 Pd2\n1.0\n0.000000 3.280387 3.280387\n3.280387 0.000000 3.280387\n3.280387 3.280387 0.000000\nCd In Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"In",
"Pd"
],
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"density": 10.350578698890502,
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"volume": 70.60008795236985,
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"formula_full": "Cd1 In1 Pd2",
"formula_reduced": "CdInPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-1957",
"created_at": "2022-09-04T14:36:36.206631Z",
"updated_at": "2022-09-04T14:36:36.206658Z",
"structure_string": "Ag1 I1\n1.0\n4.017662 -0.000000 2.319598\n1.339221 3.787888 2.319598\n0.000000 0.000000 4.639197\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 I\n",
"nsites": 2,
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"elements": [
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],
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"volume": 70.60140464694852,
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},
{
"id": "jvasp-52585",
"created_at": "2022-09-04T14:36:48.226591Z",
"updated_at": "2022-09-04T14:36:48.226616Z",
"structure_string": "Ag1 I1\n1.0\n4.180026 0.684149 -1.896815\n-1.497523 3.962082 -1.896815\n-0.394993 -0.684149 4.573238\nAg I\n1 1\ndirect\n0.750001 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 I\n",
"nsites": 2,
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"elements": [
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},
{
"id": "jvasp-77010",
"created_at": "2022-09-04T14:38:10.187385Z",
"updated_at": "2022-09-04T14:38:10.187410Z",
"structure_string": "Li2 Cd1 Pt1\n1.0\n-8.798940 -0.000000 -5.080071\n-5.682846 -1.110096 -0.317163\n-4.303958 2.789988 -2.705468\nLi Cd Pt\n2 1 1\ndirect\n0.733933 0.000000 0.000000 Li\n0.266067 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.558443384277948,
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"volume": 70.60436077575889,
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"formula_full": "Li2 Cd1 Pt1",
"formula_reduced": "Li2CdPt",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-51112",
"created_at": "2022-09-04T14:36:37.663692Z",
"updated_at": "2022-09-04T14:36:37.663798Z",
"structure_string": "Ga2 W1 Se1\n1.0\n0.000000 3.280506 3.280506\n3.280506 -0.000000 3.280506\n3.280506 3.280506 0.000000\nGa W Se\n2 1 1\ndirect\n0.750001 0.750001 0.750001 Ga\n0.250000 0.250000 0.250000 Ga\n0.500001 0.500001 0.500001 W\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"W",
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],
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"formula_full": "Ga2 W1 Se1",
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},
{
"id": "jvasp-17566",
"created_at": "2022-09-04T14:37:35.226897Z",
"updated_at": "2022-09-04T14:37:35.226918Z",
"structure_string": "Sn2 Pt1\n1.0\n4.017839 0.000000 2.319700\n1.339280 3.788054 2.319700\n-0.000000 -0.000000 4.639400\nSn Pt\n2 1\ndirect\n0.750001 0.749999 0.750000 Sn\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
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],
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"volume": 70.61069880756266,
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},
{
"id": "jvasp-38794",
"created_at": "2022-09-04T14:37:52.597295Z",
"updated_at": "2022-09-04T14:37:52.597312Z",
"structure_string": "Tb1 Mg1 Rh2\n1.0\n0.000000 3.280594 3.280594\n3.280594 -0.000000 3.280594\n3.280594 3.280594 0.000000\nTb Mg Rh\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Tb\n0.249999 0.249999 0.249999 Mg\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
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{
"id": "jvasp-103092",
"created_at": "2022-09-04T14:36:45.296717Z",
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"structure_string": "Hf1 Sc1 Si2\n1.0\n5.296851 -0.007456 0.000000\n-3.898609 3.585741 0.000000\n0.000000 0.000000 3.723633\nHf Sc Si\n1 1 2\ndirect\n0.140371 0.859628 0.500000 Hf\n0.858161 0.141837 0.000000 Sc\n0.417422 0.582577 0.500000 Si\n0.584043 0.415955 0.000000 Si\n",
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