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{
"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",
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{
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"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",
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{
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"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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"volume": 75.07304307677907,
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"formula_full": "Np1 Mn2 Si2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
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"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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"density": 8.914990137537936,
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"volume": 75.07304307677907,
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"formula_full": "Np1 Mn2 Si2",
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},
{
"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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"elements": [
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"volume": 75.0781435138323,
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"spacegroup": 186
},
{
"id": "jvasp-7854",
"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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"formula_full": "Li2 Mn2 O4",
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{
"id": "jvasp-102643",
"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",
"nsites": 4,
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],
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"formula_full": "Zr1 In1 Pd2",
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"spacegroup": 123
},
{
"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",
"nsites": 6,
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"formula_full": "Ca1 U1 O4",
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"spacegroup": 123
},
{
"id": "jvasp-71116",
"created_at": "2022-09-04T14:36:08.121378Z",
"updated_at": "2022-09-04T14:36:08.121402Z",
"structure_string": "Be1 Zn2 Bi1\n1.0\n3.295914 -0.000000 -0.000000\n-0.000000 3.295914 -0.000000\n0.000000 0.000000 6.912429\nBe Zn Bi\n1 2 1\ndirect\n0.000000 -0.000000 0.410290 Be\n0.000000 -0.000000 0.064824 Zn\n0.499999 0.499999 0.288348 Zn\n0.499999 0.499999 0.736540 Bi\n",
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"formula_full": "Be1 Zn2 Bi1",
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"spacegroup": 99
},
{
"id": "jvasp-120289",
"created_at": "2022-09-04T14:38:47.103466Z",
"updated_at": "2022-09-04T14:38:47.103495Z",
"structure_string": "Li1 Nb1 Se2\n1.0\n1.780686 1.028080 6.837533\n-1.780686 1.028080 6.837533\n0.000000 -2.056159 6.837533\nLi Nb Se\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Li\n0.000000 0.000000 0.000000 Nb\n0.749575 0.749575 0.749575 Se\n0.250424 0.250424 0.250424 Se\n",
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},
{
"id": "jvasp-37611",
"created_at": "2022-09-04T14:37:47.740605Z",
"updated_at": "2022-09-04T14:37:47.740620Z",
"structure_string": "Tm1 Mg2\n1.0\n-1.874982 -0.000000 -2.643232\n0.000000 -5.173226 -0.000000\n-3.653369 2.586611 2.592923\nTm Mg\n1 2\ndirect\n0.666666 0.416667 0.666667 Tm\n0.166579 0.083333 0.000000 Mg\n0.166753 0.750000 0.333334 Mg\n",
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{
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"structure_string": "Sb1 F5\n1.0\n3.484420 0.000000 1.281363\n1.064242 4.601055 2.484285\n0.059412 1.120824 5.216724\nSb F\n1 5\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.764780 0.235219 F\n0.500000 0.235219 0.764780 F\n0.789405 0.210595 0.210594 F\n0.210594 0.789404 0.789405 F\n-0.000000 0.499999 0.500000 F\n",
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