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{
"id": "jvasp-106118",
"created_at": "2022-09-04T14:35:43.214054Z",
"updated_at": "2022-09-04T14:35:43.214074Z",
"structure_string": "Ca1 U1 O4\n1.0\n3.709226 -0.000000 -0.000000\n0.000000 3.709226 -0.000000\n-0.000000 -0.000000 5.457187\nCa U O\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 U\n0.500000 0.000000 0.775853 O\n0.000000 0.500000 0.224148 O\n0.500000 0.000000 0.224148 O\n0.000000 0.500000 0.775853 O\n",
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{
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"created_at": "2022-09-04T14:37:02.681404Z",
"updated_at": "2022-09-04T14:37:02.681427Z",
"structure_string": "Zr1 In1 Pd2\n1.0\n3.430359 -0.000000 0.000000\n0.000000 3.430359 0.000000\n0.000000 0.000000 6.380514\nZr In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.271400 Pd\n0.500000 0.500000 0.728599 Pd\n",
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{
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"created_at": "2022-09-04T14:36:36.270542Z",
"updated_at": "2022-09-04T14:36:36.270565Z",
"structure_string": "Li2 Mn2 O4\n1.0\n2.815196 0.000000 0.000000\n0.000000 4.668048 0.000000\n0.000000 0.000000 5.713332\nLi Mn O\n2 2 4\ndirect\n0.500001 0.500000 0.878622 Li\n0.000000 0.000000 0.121378 Li\n0.500001 0.500000 0.362681 Mn\n0.000000 0.000000 0.637318 Mn\n0.500001 0.000000 0.862874 O\n0.000000 0.500000 0.600284 O\n0.500001 0.000000 0.399716 O\n0.000000 0.500000 0.137126 O\n",
"nsites": 8,
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"density_atomic": 0.10655076584944435,
"volume": 75.08158140603096,
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"formula_full": "Li2 Mn2 O4",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
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"spacegroup": 59
},
{
"id": "jvasp-78947",
"created_at": "2022-09-04T14:36:36.729764Z",
"updated_at": "2022-09-04T14:36:36.729788Z",
"structure_string": "Pb2 O2\n1.0\n3.388441 1.043958 -0.574937\n0.935094 3.427261 0.530655\n-0.934614 0.979422 7.495170\nPb O\n2 2\ndirect\n0.047042 0.118610 0.964311 Pb\n0.881412 0.952861 0.464312 Pb\n0.036330 0.464772 0.285689 O\n0.535215 0.963755 0.785690 O\n",
"nsites": 4,
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"density": 9.873214919689518,
"density_atomic": 0.053277822449925724,
"volume": 75.0781435138323,
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"formula_full": "Pb2 O2",
"formula_reduced": "PbO",
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"spacegroup": 186
},
{
"id": "jvasp-86878",
"created_at": "2022-09-04T14:36:17.152393Z",
"updated_at": "2022-09-04T14:36:17.152410Z",
"structure_string": "Np1 Mn2 Si2\n1.0\n3.633910 0.000000 -1.373830\n-0.519388 3.596601 -1.373830\n0.071191 0.082209 5.681237\nNp Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Mn\n0.249999 0.750000 0.500000 Mn\n0.381065 0.381066 0.762130 Si\n0.618934 0.618935 0.237870 Si\n",
"nsites": 5,
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"elements": [
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"density": 8.914990137537936,
"density_atomic": 0.06660180265886352,
"volume": 75.07304307677907,
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"formula_full": "Np1 Mn2 Si2",
"formula_reduced": "Np(MnSi)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-86276",
"created_at": "2022-09-04T14:38:12.885507Z",
"updated_at": "2022-09-04T14:38:12.885538Z",
"structure_string": "Np1 Mn2 Si2\n1.0\n3.633910 0.000000 -1.373830\n-0.519388 3.596601 -1.373830\n0.071191 0.082209 5.681237\nNp Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Mn\n0.249999 0.750000 0.500000 Mn\n0.381065 0.381066 0.762130 Si\n0.618934 0.618935 0.237870 Si\n",
"nsites": 5,
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"formula_full": "Np1 Mn2 Si2",
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"spacegroup": 139
},
{
"id": "jvasp-113594",
"created_at": "2022-09-04T14:38:50.431324Z",
"updated_at": "2022-09-04T14:38:50.431355Z",
"structure_string": "Na1 Cr1 F4\n1.0\n4.912234 0.000000 0.009575\n0.000000 3.089561 0.000000\n-0.136274 0.000000 4.946295\nNa Cr F\n1 1 4\ndirect\n0.500000 0.499999 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.732042 0.000000 0.723459 F\n0.178913 0.499999 0.830034 F\n0.821087 0.499999 0.169965 F\n0.267959 0.000000 0.276540 F\n",
"nsites": 6,
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"density": 3.339549393641731,
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"volume": 75.072202473245,
"volume_molar": 7.534922840951691,
"formula_full": "Na1 Cr1 F4",
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"formula_anonymous": "ABC4",
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"spacegroup": 65
},
{
"id": "jvasp-56588",
"created_at": "2022-09-04T14:37:07.423845Z",
"updated_at": "2022-09-04T14:37:07.423867Z",
"structure_string": "Cr1 Ag1 Se2\n1.0\n3.644727 0.307072 7.645916\n1.972637 3.080102 7.645916\n0.509255 0.307072 8.454864\nCr Ag Se\n1 1 2\ndirect\n0.743227 0.743222 0.743223 Cr\n0.246252 0.246251 0.246251 Ag\n0.138202 0.138201 0.138202 Se\n0.012323 0.012322 0.012322 Se\n",
"nsites": 4,
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"density": 7.029280719703257,
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"volume": 75.07073140826435,
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"formula_full": "Cr1 Ag1 Se2",
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"spacegroup": 160
},
{
"id": "jvasp-118858",
"created_at": "2022-09-04T14:38:51.801018Z",
"updated_at": "2022-09-04T14:38:51.801033Z",
"structure_string": "Cu1 As1 O4\n1.0\n-2.687281 2.687283 2.598755\n2.687281 -2.687283 2.598755\n2.687283 2.687281 -2.598755\nCu As O\n1 1 4\ndirect\n0.749998 0.249999 0.499998 Cu\n0.000000 0.000000 0.000000 As\n-0.008364 0.029727 0.631515 O\n0.398209 0.360118 0.368482 O\n-0.029728 0.601788 -0.038092 O\n0.639879 0.008364 0.038090 O\n",
"nsites": 6,
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],
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"volume": 75.06747630121333,
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"formula_full": "Cu1 As1 O4",
"formula_reduced": "CuAsO4",
"formula_anonymous": "ABC4",
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"spacegroup": 82
},
{
"id": "jvasp-70702",
"created_at": "2022-09-04T14:36:05.056632Z",
"updated_at": "2022-09-04T14:36:05.056657Z",
"structure_string": "Na1 Be2 In1\n1.0\n3.468581 0.000000 0.000000\n0.000000 3.468581 0.000000\n-0.000000 0.000000 6.239402\nNa Be In\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.820048 Be\n0.000000 0.000000 0.179952 Be\n0.500000 0.500000 0.000000 In\n",
"nsites": 4,
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"spacegroup": 123
},
{
"id": "jvasp-94965",
"created_at": "2022-09-04T14:36:09.351826Z",
"updated_at": "2022-09-04T14:36:09.351845Z",
"structure_string": "B6 Pb1\n1.0\n4.218369 0.000000 0.000000\n-0.000000 4.218369 -0.000000\n-0.000000 -0.000000 4.218369\nB Pb\n6 1\ndirect\n0.202912 0.500000 0.500000 B\n0.500000 0.500000 0.797089 B\n0.500000 0.500000 0.202912 B\n0.500000 0.202912 0.500000 B\n0.500000 0.797089 0.500000 B\n0.797089 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 7,
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"volume": 75.06434517209955,
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"formula_full": "B6 Pb1",
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},
{
"id": "jvasp-106537",
"created_at": "2022-09-04T14:37:01.443320Z",
"updated_at": "2022-09-04T14:37:01.443342Z",
"structure_string": "Li2 In1 Hg1\n1.0\n4.100584 0.000000 2.367473\n1.366861 3.866067 2.367473\n0.000000 -0.000000 4.734946\nLi In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 In\n0.499999 0.500000 0.500000 Hg\n",
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]
}