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{
"id": "jvasp-99373",
"created_at": "2022-09-04T14:36:00.972952Z",
"updated_at": "2022-09-04T14:36:00.972979Z",
"structure_string": "Ga3 Sb1\n1.0\n3.964914 -0.423107 -3.476641\n-1.093201 3.834641 -3.476641\n0.356157 0.423107 5.261248\nGa Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500001 Ga\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Sb\n",
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{
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"structure_string": "Ag3 Kr1\n1.0\n4.485912 -0.000000 -0.000000\n-0.000000 4.485912 -0.000000\n0.000000 0.000000 4.485912\nAg Kr\n3 1\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Kr\n",
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{
"id": "jvasp-11792",
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"updated_at": "2022-09-04T14:37:17.297471Z",
"structure_string": "Ni2 C2 O6\n1.0\n4.191576 -0.014090 3.647125\n1.652565 3.852082 3.647125\n-0.021455 -0.014090 5.556110\nNi C O\n2 2 6\ndirect\n0.500002 0.500000 0.499998 Ni\n0.000000 0.000000 0.000000 Ni\n0.750003 0.750000 0.749997 C\n0.250001 0.250000 0.249999 C\n0.470131 0.029871 0.749999 O\n0.750001 0.470129 0.029869 O\n0.970131 0.250000 0.529868 O\n0.529873 0.970129 0.249998 O\n0.250002 0.529870 0.970128 O\n0.029872 0.750000 0.470128 O\n",
"nsites": 10,
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"elements": [
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"volume": 90.27295917129874,
"volume_molar": 5.436364669512939,
"formula_full": "Ni2 C2 O6",
"formula_reduced": "NiCO3",
"formula_anonymous": "ABC3",
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"spacegroup": 167
},
{
"id": "jvasp-15361",
"created_at": "2022-09-04T14:36:49.951547Z",
"updated_at": "2022-09-04T14:36:49.951573Z",
"structure_string": "Nd1 Si2 Pd2\n1.0\n3.961575 0.000000 -1.549322\n-0.605920 3.914963 -1.549322\n-0.005235 -0.006107 5.826096\nNd Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.619724 0.619724 0.239451 Si\n0.380276 0.380274 0.760550 Si\n0.750000 0.249999 0.500000 Pd\n0.250000 0.749999 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"Pd"
],
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"density": 7.600679273100597,
"density_atomic": 0.055380554369894745,
"volume": 90.28439777984661,
"volume_molar": 10.874107037241359,
"formula_full": "Nd1 Si2 Pd2",
"formula_reduced": "Nd(SiPd)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-107072",
"created_at": "2022-09-04T14:36:55.862110Z",
"updated_at": "2022-09-04T14:36:55.862133Z",
"structure_string": "Ce1 Ga3 Ni1\n1.0\n3.913578 0.006724 -4.503314\n-0.541823 3.875895 -4.503314\n-0.005839 -0.006724 5.966229\nCe Ga Ni\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.619805 0.619803 0.000000 Ga\n0.380196 0.380195 0.000000 Ga\n0.750000 0.249999 0.500001 Ga\n0.250001 0.749999 0.500001 Ni\n",
"nsites": 5,
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"volume": 90.284531230118,
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"formula_full": "Ce1 Ga3 Ni1",
"formula_reduced": "CeGa3Ni",
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"spacegroup": 119
},
{
"id": "jvasp-99830",
"created_at": "2022-09-04T14:36:34.737046Z",
"updated_at": "2022-09-04T14:36:34.737066Z",
"structure_string": "Pr1 Nd1 Ir2\n1.0\n4.360966 0.000000 2.517805\n1.453655 4.111558 2.517805\n0.000000 -0.000000 5.035609\nPr Nd Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.499999 Nd\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.749999 Ir\n",
"nsites": 4,
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"elements": [
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"Nd",
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"volume": 90.2903055797848,
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"formula_full": "Pr1 Nd1 Ir2",
"formula_reduced": "PrNdIr2",
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"spacegroup": 225
},
{
"id": "jvasp-40924",
"created_at": "2022-09-04T14:37:43.140773Z",
"updated_at": "2022-09-04T14:37:43.140793Z",
"structure_string": "Li1 Pm2 Rh1\n1.0\n-0.000000 3.560760 3.560760\n3.560760 -0.000000 3.560760\n3.560760 3.560760 -0.000000\nLi Pm Rh\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Li\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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],
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"volume": 90.29383595441396,
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"formula_full": "Li1 Pm2 Rh1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-99549",
"created_at": "2022-09-04T14:36:34.951309Z",
"updated_at": "2022-09-04T14:36:34.951329Z",
"structure_string": "Yb1 Zn2 Si2\n1.0\n3.939256 -0.010110 -4.346031\n-0.593615 3.894286 -4.346031\n0.008708 0.010110 5.865633\nYb Zn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750001 0.250000 0.500001 Zn\n0.250001 0.750001 0.500002 Zn\n0.384357 0.384356 0.000001 Si\n0.615646 0.615645 0.000002 Si\n",
"nsites": 5,
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],
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"formula_full": "Yb1 Zn2 Si2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-109709",
"created_at": "2022-09-04T14:38:00.061326Z",
"updated_at": "2022-09-04T14:38:00.061356Z",
"structure_string": "Mn2 Fe2 Si4\n1.0\n4.480588 0.000000 0.000000\n0.000000 4.489193 0.016871\n-0.000000 -0.000934 4.489472\nMn Fe Si\n2 2 4\ndirect\n0.635438 0.132862 0.387577 Mn\n0.135438 0.867138 0.612422 Mn\n0.364471 0.362888 0.884885 Fe\n0.864471 0.637112 0.115115 Fe\n0.657425 0.653013 0.593079 Si\n0.157425 0.346987 0.406920 Si\n0.342667 0.839137 0.091650 Si\n0.842667 0.160863 0.908349 Si\n",
"nsites": 8,
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"density": 6.140124024126311,
"density_atomic": 0.088591303480966,
"volume": 90.30231733432858,
"volume_molar": 6.797665824268934,
"formula_full": "Mn2 Fe2 Si4",
"formula_reduced": "MnFeSi2",
"formula_anonymous": "ABC2",
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"spacegroup": 4
},
{
"id": "jvasp-91704",
"created_at": "2022-09-04T14:36:04.664440Z",
"updated_at": "2022-09-04T14:36:04.664468Z",
"structure_string": "Pu2 Fe2 C4\n1.0\n3.527506 0.000000 0.000000\n-0.000000 3.527506 -0.000000\n0.000000 0.000000 7.257915\nPu Fe C\n2 2 4\ndirect\n0.750001 0.750001 0.672607 Pu\n0.250000 0.250000 0.327394 Pu\n0.750001 0.250000 0.000000 Fe\n0.250000 0.750001 0.000000 Fe\n0.750001 0.750001 0.145696 C\n0.250000 0.250000 0.854304 C\n0.750001 0.750001 0.348832 C\n0.250000 0.250000 0.651168 C\n",
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"volume": 90.31240341352196,
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"formula_full": "Pu2 Fe2 C4",
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"spacegroup": 129
},
{
"id": "jvasp-37651",
"created_at": "2022-09-04T14:38:02.590754Z",
"updated_at": "2022-09-04T14:38:02.590779Z",
"structure_string": "Lu2 Hg1 Au1\n1.0\n0.000000 3.561023 3.561023\n3.561023 0.000000 3.561023\n3.561023 3.561023 0.000000\nLu Hg Au\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.750000 0.750000 0.750000 Hg\n0.250001 0.250001 0.250001 Au\n",
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"density": 13.7435992558837,
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{
"id": "jvasp-101533",
"created_at": "2022-09-04T14:36:44.964892Z",
"updated_at": "2022-09-04T14:36:44.964911Z",
"structure_string": "Li4 C1 O4\n1.0\n4.556531 0.026883 1.412017\n1.066788 4.429972 1.412017\n0.027750 0.021994 4.494881\nLi C O\n4 1 4\ndirect\n0.650966 0.650964 0.537173 Li\n0.134177 0.645530 0.056241 Li\n0.645531 0.134177 0.056241 Li\n0.218715 0.218714 0.737502 Li\n0.046264 0.046263 0.430598 C\n0.224066 0.224065 0.163368 O\n0.831591 0.243044 0.621549 O\n0.243046 0.831590 0.621549 O\n0.903176 0.903174 0.317574 O\n",
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"formula_full": "Li4 C1 O4",
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