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{
"id": "jvasp-17410",
"created_at": "2022-09-04T14:38:28.655201Z",
"updated_at": "2022-09-04T14:38:28.655212Z",
"structure_string": "Np1 Ge2 Rh2\n1.0\n3.851051 -0.000000 -1.454831\n-0.549598 3.811632 -1.454831\n0.069654 0.080417 6.008812\nNp Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.620689 0.620689 0.241379 Ge\n0.379310 0.379311 0.758621 Ge\n0.749999 0.250000 0.500000 Rh\n0.249999 0.750000 0.500000 Rh\n",
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{
"id": "jvasp-108967",
"created_at": "2022-09-04T14:38:20.057528Z",
"updated_at": "2022-09-04T14:38:20.057538Z",
"structure_string": "Li2 Co1 O2\n1.0\n3.538710 -0.002146 -3.526317\n-0.308312 2.679264 -4.205220\n-0.021962 0.002146 4.995688\nLi Co O\n2 1 2\ndirect\n0.804830 0.304829 0.499999 Li\n0.195171 0.695170 0.500000 Li\n0.500000 0.000000 0.500000 Co\n0.356997 0.356996 -0.000001 O\n0.643003 0.643001 -0.000002 O\n",
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"elements": [
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{
"id": "jvasp-16722",
"created_at": "2022-09-04T14:38:27.073508Z",
"updated_at": "2022-09-04T14:38:27.073526Z",
"structure_string": "Er1 Cr2 Si2\n1.0\n3.622319 0.000000 -1.246068\n-0.428644 3.596868 -1.246068\n0.035445 0.039920 5.991112\nEr Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.250000 0.750000 0.500000 Cr\n0.750000 0.250000 0.500000 Cr\n0.614543 0.614543 0.229085 Si\n0.385457 0.385458 0.770914 Si\n",
"nsites": 5,
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"elements": [
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],
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"density_atomic": 0.0637603934355289,
"volume": 78.41858763082654,
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"formula_full": "Er1 Cr2 Si2",
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"spacegroup": 139
},
{
"id": "jvasp-20871",
"created_at": "2022-09-04T14:38:29.048625Z",
"updated_at": "2022-09-04T14:38:29.048659Z",
"structure_string": "Sc4 Ni4 Sn2\n1.0\n7.129369 0.000000 0.000000\n0.000000 7.129369 -0.000000\n-0.000000 -0.000000 3.349395\nSc Ni Sn\n4 4 2\ndirect\n0.669430 0.169430 0.500001 Sc\n0.169430 0.330570 0.500001 Sc\n0.830570 0.669430 0.500001 Sc\n0.330570 0.830570 0.500001 Sc\n0.876132 0.376132 0.000000 Ni\n0.376132 0.123868 0.000000 Ni\n0.623868 0.876132 0.000000 Ni\n0.123868 0.623868 0.000000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ni-Sc-Sn",
"density": 6.359743899693797,
"density_atomic": 0.05873966232062434,
"volume": 170.24272195192475,
"volume_molar": 10.252256349600327,
"formula_full": "Sc4 Ni4 Sn2",
"formula_reduced": "Sc2Ni2Sn",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5081794000000002,
"spacegroup": 127
},
{
"id": "jvasp-10018",
"created_at": "2022-09-04T14:38:19.205931Z",
"updated_at": "2022-09-04T14:38:19.205956Z",
"structure_string": "K4 Si2 As4\n1.0\n5.892831 0.000000 -2.510670\n-1.283723 6.144994 -3.013044\n-0.008131 0.050074 8.151825\nK Si As\n4 2 4\ndirect\n0.856346 0.018339 0.712693 K\n0.356347 0.694353 0.712694 K\n0.643653 0.305646 0.287307 K\n0.143654 0.981660 0.287307 K\n0.250000 0.500000 0.000000 Si\n0.750000 0.500000 0.000000 Si\n0.602379 0.772262 0.204759 As\n0.102379 0.432496 0.204759 As\n0.897621 0.567503 0.795242 As\n0.397621 0.227737 0.795242 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"As"
],
"chemical_system": "As-K-Si",
"density": 2.8725822227682025,
"density_atomic": 0.03377076473148492,
"volume": 296.11411170315813,
"volume_molar": 17.832408616987816,
"formula_full": "K4 Si2 As4",
"formula_reduced": "K2SiAs2",
"formula_anonymous": "AB2C2",
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"spacegroup": 72
},
{
"id": "jvasp-27369",
"created_at": "2022-09-04T14:38:28.566544Z",
"updated_at": "2022-09-04T14:38:28.566573Z",
"structure_string": "Np2 Si4 Pt4\n1.0\n4.247500 0.000000 0.000000\n0.000000 4.247500 0.000000\n-0.000000 0.000000 9.805719\nNp Si Pt\n2 4 4\ndirect\n0.000000 0.500000 0.746497 Np\n0.500000 0.000000 0.253503 Np\n0.000000 0.500000 0.133754 Si\n0.500000 0.000000 0.866246 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.378332 Pt\n0.500000 0.000000 0.621668 Pt\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 -0.000000 Pt\n",
"nsites": 10,
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"elements": [
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"Pt"
],
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"density": 12.8282992472282,
"density_atomic": 0.05652671939177153,
"volume": 176.9074891944937,
"volume_molar": 10.6536180142742,
"formula_full": "Np2 Si4 Pt4",
"formula_reduced": "Np(SiPt)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 129
},
{
"id": "jvasp-52101",
"created_at": "2022-09-04T14:38:29.092978Z",
"updated_at": "2022-09-04T14:38:29.092989Z",
"structure_string": "Er8 Sn4 Au8\n1.0\n7.868595 0.000000 0.000000\n0.000000 7.868595 0.000000\n0.000000 0.000000 7.392906\nEr Sn Au\n8 4 8\ndirect\n0.341908 0.658092 0.000000 Er\n0.158092 0.158092 0.500000 Er\n0.841909 0.841909 0.500000 Er\n0.658092 0.341908 0.000000 Er\n0.180460 0.180460 0.000000 Er\n0.680461 0.319540 0.500000 Er\n0.319540 0.680461 0.500000 Er\n0.819540 0.819540 0.000000 Er\n0.500000 0.000000 0.250000 Sn\n0.500000 0.000000 0.750000 Sn\n0.000000 0.500000 0.250000 Sn\n0.000000 0.500000 0.750000 Sn\n0.628527 0.628527 0.726944 Au\n0.371474 0.371474 0.726944 Au\n0.871474 0.128526 0.226944 Au\n0.128526 0.871474 0.226944 Au\n0.628527 0.628527 0.273056 Au\n0.128526 0.871474 0.773057 Au\n0.871474 0.128526 0.773057 Au\n0.371474 0.371474 0.273056 Au\n",
"nsites": 20,
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"elements": [
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"Au"
],
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"density": 12.29321690553217,
"density_atomic": 0.0436938613583512,
"volume": 457.7302023268631,
"volume_molar": 13.782578542578245,
"formula_full": "Er8 Sn4 Au8",
"formula_reduced": "Er2SnAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6746893679999999,
"spacegroup": 136
},
{
"id": "jvasp-110085",
"created_at": "2022-09-04T14:38:19.750984Z",
"updated_at": "2022-09-04T14:38:19.751003Z",
"structure_string": "Nd1 P2 Pd2\n1.0\n3.894813 -0.010909 -4.302321\n-0.586529 3.850412 -4.302321\n0.009400 0.010909 5.803400\nNd P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.387033 0.387033 -0.000000 P\n0.612966 0.612966 -0.000001 P\n0.749999 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"P",
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],
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"density": 7.9648390165136576,
"density_atomic": 0.05723389278980855,
"volume": 87.36082339117658,
"volume_molar": 10.52198350742332,
"formula_full": "Nd1 P2 Pd2",
"formula_reduced": "Nd(PPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.13554278,
"spacegroup": 139
},
{
"id": "jvasp-21918",
"created_at": "2022-09-04T14:38:29.768283Z",
"updated_at": "2022-09-04T14:38:29.768312Z",
"structure_string": "Sc4 Si4 Ru2\n1.0\n3.968791 -0.000000 0.963030\n1.902950 5.033986 0.817164\n-0.003553 -0.013807 8.674148\nSc Si Ru\n4 4 2\ndirect\n0.817317 0.257615 0.107750 Sc\n0.005330 0.666495 0.322845 Sc\n0.182684 0.742385 0.892250 Sc\n0.994670 0.333505 0.677155 Sc\n0.485882 0.149423 0.878816 Si\n0.360221 0.714149 0.565409 Si\n0.514119 0.850578 0.121184 Si\n0.639780 0.285851 0.434590 Si\n0.729196 0.911359 0.630248 Ru\n0.270805 0.088641 0.369751 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Si",
"Ru"
],
"chemical_system": "Ru-Sc-Si",
"density": 4.735388857221117,
"density_atomic": 0.05769138664864302,
"volume": 173.33610060203353,
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"formula_full": "Sc4 Si4 Ru2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-16350",
"created_at": "2022-09-04T14:38:28.476028Z",
"updated_at": "2022-09-04T14:38:28.476044Z",
"structure_string": "Np1 Ge2 Pd2\n1.0\n3.923995 -0.000000 -1.521342\n-0.589827 3.879413 -1.521342\n0.079697 0.092729 6.026810\nNp Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.616343 0.616343 0.232686 Ge\n0.383658 0.383657 0.767314 Ge\n0.250000 0.750000 0.500000 Pd\n0.750001 0.250000 0.500001 Pd\n",
"nsites": 5,
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],
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"volume": 92.8520475724351,
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"formula_full": "Np1 Ge2 Pd2",
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"spacegroup": 139
},
{
"id": "jvasp-109809",
"created_at": "2022-09-04T14:38:18.952013Z",
"updated_at": "2022-09-04T14:38:18.952033Z",
"structure_string": "Li2 Mn1 N2\n1.0\n3.015640 0.000126 0.000206\n-1.507934 2.611423 -0.000027\n-0.000260 -0.000208 5.291894\nLi Mn N\n2 1 2\ndirect\n0.666658 0.333350 0.359424 Li\n0.333343 0.666675 0.640575 Li\n-0.000000 0.000015 0.000000 Mn\n0.666677 0.333357 0.795664 N\n0.333324 0.666668 0.204336 N\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.8583013414272256,
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"volume": 41.67526176596731,
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"formula_full": "Li2 Mn1 N2",
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"spacegroup": 164
},
{
"id": "jvasp-109344",
"created_at": "2022-09-04T14:38:18.942766Z",
"updated_at": "2022-09-04T14:38:18.942793Z",
"structure_string": "Mg1 Zn2 Sb2\n1.0\n4.369976 0.000000 0.000000\n-2.184989 3.784510 0.000000\n-0.000000 -0.000000 7.302341\nMg Zn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.617829 Zn\n0.666667 0.333333 0.382170 Zn\n0.333333 0.666667 0.234033 Sb\n0.666667 0.333333 0.765967 Sb\n",
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],
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}
]
}