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{
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{
"id": "jvasp-4119",
"created_at": "2022-09-04T14:36:48.830480Z",
"updated_at": "2022-09-04T14:36:48.830504Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.581190 -2.738702 0.000000\n1.581190 2.738702 0.000000\n0.000000 0.000000 4.685848\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.431302 H\n0.333333 0.666667 0.568699 H\n0.666667 0.333333 0.223476 O\n0.333333 0.666667 0.776524 O\n",
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{
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"created_at": "2022-09-04T14:36:55.901366Z",
"updated_at": "2022-09-04T14:36:55.901398Z",
"structure_string": "Ca1 Ag2 Ge2\n1.0\n4.088348 0.000000 -1.505774\n-0.554590 4.050557 -1.505774\n-0.008949 -0.010257 6.278752\nCa Ag Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500001 Ag\n0.250000 0.750000 0.500001 Ag\n0.389188 0.389187 0.778376 Ge\n0.610813 0.610812 0.221625 Ge\n",
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"formula_full": "Ca1 Ag2 Ge2",
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{
"id": "jvasp-15289",
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"updated_at": "2022-09-04T14:36:42.220224Z",
"structure_string": "Sm1 Si2 Ni2\n1.0\n3.764885 0.000000 -1.451690\n-0.559753 3.723042 -1.451690\n-0.014076 -0.016351 5.571358\nSm Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.629153 0.629152 0.258305 Si\n0.370848 0.370848 0.741696 Si\n0.750001 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n",
"nsites": 5,
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"elements": [
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"Si",
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],
"chemical_system": "Ni-Si-Sm",
"density": 6.903483513771315,
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"volume": 77.91402126102669,
"volume_molar": 9.384184064230709,
"formula_full": "Sm1 Si2 Ni2",
"formula_reduced": "Sm(SiNi)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-15457",
"created_at": "2022-09-04T14:36:42.549301Z",
"updated_at": "2022-09-04T14:36:42.549317Z",
"structure_string": "Yb1 Mn2 Sb2\n1.0\n2.148814 -3.721856 -0.000000\n2.148814 3.721856 -0.000000\n-0.000000 0.000000 7.584448\nYb Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666666 0.333332 0.609445 Mn\n0.333332 0.666666 0.390555 Mn\n0.666666 0.333332 0.256739 Sb\n0.333332 0.666666 0.743261 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Sb"
],
"chemical_system": "Mn-Sb-Yb",
"density": 7.205803046935743,
"density_atomic": 0.041215221635431655,
"volume": 121.3144028249415,
"volume_molar": 14.611448200542789,
"formula_full": "Yb1 Mn2 Sb2",
"formula_reduced": "Yb(MnSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.2965894765517234,
"spacegroup": 164
},
{
"id": "jvasp-16033",
"created_at": "2022-09-04T14:36:55.136492Z",
"updated_at": "2022-09-04T14:36:55.136513Z",
"structure_string": "Ba1 P2 Pd2\n1.0\n4.299986 0.000000 -0.000000\n0.000000 4.299986 0.000000\n0.000000 0.000000 5.698306\nBa P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.715257 P\n0.500000 0.500000 0.284744 P\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.495119824722424,
"density_atomic": 0.047455893414547694,
"volume": 105.36099186507445,
"volume_molar": 12.689974472493867,
"formula_full": "Ba1 P2 Pd2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 1.763007674,
"spacegroup": 123
},
{
"id": "jvasp-15109",
"created_at": "2022-09-04T14:36:42.754539Z",
"updated_at": "2022-09-04T14:36:42.754560Z",
"structure_string": "Dy1 Si2 Au2\n1.0\n4.020888 -0.000000 -1.543014\n-0.592131 3.977050 -1.543014\n-0.043421 -0.050365 5.897305\nDy Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.613772 0.613771 0.227542 Si\n0.386229 0.386228 0.772460 Si\n0.250000 0.749999 0.500001 Au\n0.750000 0.249999 0.500001 Au\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Au-Dy-Si",
"density": 10.858754699891964,
"density_atomic": 0.05337292490151232,
"volume": 93.68045707119052,
"volume_molar": 11.283137978876933,
"formula_full": "Dy1 Si2 Au2",
"formula_reduced": "Dy(SiAu)2",
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"spacegroup": 139
},
{
"id": "jvasp-103003",
"created_at": "2022-09-04T14:36:43.240189Z",
"updated_at": "2022-09-04T14:36:43.240211Z",
"structure_string": "Ce2 P4 Pt4\n1.0\n4.208801 -0.012487 -9.171352\n-0.212273 4.203462 -9.171352\n0.011907 0.012487 10.090965\nCe P Pt\n2 4 4\ndirect\n0.373557 0.373557 -0.000000 Ce\n0.626443 0.626442 -0.000000 Ce\n0.070806 0.070805 -0.000000 P\n0.929195 0.929193 -0.000000 P\n0.750000 0.250000 0.500001 P\n0.250001 0.750000 0.500001 P\n0.193202 0.193202 -0.000000 Pt\n0.806798 0.806797 -0.000000 Pt\n0.500000 -0.000000 0.500001 Pt\n0.000001 0.500000 0.500001 Pt\n",
"nsites": 10,
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"elements": [
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"P",
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],
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"density": 10.959525836617589,
"density_atomic": 0.05572128854945588,
"volume": 179.46462223543915,
"volume_molar": 10.807612165420403,
"formula_full": "Ce2 P4 Pt4",
"formula_reduced": "Ce(PPt)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6624218600000003,
"spacegroup": 139
},
{
"id": "jvasp-101244",
"created_at": "2022-09-04T14:36:40.290856Z",
"updated_at": "2022-09-04T14:36:40.290883Z",
"structure_string": "Sr2 Ca1 N2\n1.0\n3.757541 0.000410 0.000236\n-1.878316 3.254763 -0.000411\n0.000461 -0.000900 9.462532\nSr Ca N\n2 1 2\ndirect\n0.666675 0.333272 0.215091 Sr\n0.333323 0.666727 0.784910 Sr\n-0.000000 -0.000000 0.500000 Ca\n0.666713 0.333230 0.661385 N\n0.333285 0.666769 0.338616 N\n",
"nsites": 5,
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"elements": [
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"Ca",
"N"
],
"chemical_system": "Ca-N-Sr",
"density": 3.491318352989188,
"density_atomic": 0.04320283072167858,
"volume": 115.73315721395703,
"volume_molar": 13.939227266833173,
"formula_full": "Sr2 Ca1 N2",
"formula_reduced": "Sr2CaN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7140979079999998,
"spacegroup": 164
},
{
"id": "jvasp-102628",
"created_at": "2022-09-04T14:36:55.006330Z",
"updated_at": "2022-09-04T14:36:55.006348Z",
"structure_string": "Tb1 P2 Pd2\n1.0\n3.837959 -0.011323 -4.283888\n-0.569677 3.795462 -4.283888\n0.009779 0.011323 5.751655\nTb P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.388858 0.388858 -0.000000 P\n0.611142 0.611142 -0.000001 P\n0.750000 0.250000 0.499999 Pd\n0.249999 0.749999 0.499998 Pd\n",
"nsites": 5,
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"elements": [
"Tb",
"P",
"Pd"
],
"chemical_system": "P-Pd-Tb",
"density": 8.561591996407161,
"density_atomic": 0.059439222629429106,
"volume": 84.11953889727415,
"volume_molar": 10.131594078113602,
"formula_full": "Tb1 P2 Pd2",
"formula_reduced": "Tb(PPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.09792016,
"spacegroup": 139
},
{
"id": "jvasp-15330",
"created_at": "2022-09-04T14:36:48.941222Z",
"updated_at": "2022-09-04T14:36:48.941239Z",
"structure_string": "Dy1 Si2 Ru2\n1.0\n3.890908 -0.000000 -1.554629\n-0.621158 3.841006 -1.554629\n-0.009514 -0.011177 5.622563\nDy Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.631099 0.631099 0.262197 Si\n0.368902 0.368901 0.737803 Si\n0.750001 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
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"elements": [
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"Ru"
],
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"density": 8.32923853196361,
"density_atomic": 0.05959902055843929,
"volume": 83.8939961286326,
"volume_molar": 10.104429072110412,
"formula_full": "Dy1 Si2 Ru2",
"formula_reduced": "Dy(SiRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3820029400000005,
"spacegroup": 139
},
{
"id": "jvasp-16029",
"created_at": "2022-09-04T14:36:46.967929Z",
"updated_at": "2022-09-04T14:36:46.967955Z",
"structure_string": "Zr1 Cu2 P2\n1.0\n1.916341 -3.319200 0.000000\n1.916341 3.319200 -0.000000\n0.000000 -0.000000 6.194133\nZr Cu P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.640570 Cu\n0.333333 0.666667 0.359430 Cu\n0.666667 0.333333 0.249613 P\n0.333333 0.666667 0.750387 P\n",
"nsites": 5,
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"elements": [
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],
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"density": 5.9060747702981935,
"density_atomic": 0.06345316206420007,
"volume": 78.79827950798015,
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"formula_full": "Zr1 Cu2 P2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 1.87130928,
"spacegroup": 164
},
{
"id": "jvasp-56747",
"created_at": "2022-09-04T14:36:55.681253Z",
"updated_at": "2022-09-04T14:36:55.681261Z",
"structure_string": "Ba1 Mn2 Sb2\n1.0\n4.317847 -0.000000 -1.263777\n-0.369891 4.301975 -1.263777\n-0.218771 -0.238388 7.260653\nBa Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.749999 0.499999 Mn\n0.750001 0.249999 0.499999 Mn\n0.636219 0.636218 0.272436 Sb\n0.363781 0.363780 0.727562 Sb\n",
"nsites": 5,
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],
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"density": 6.160760987969338,
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}
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}