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{
"id": "jvasp-18090",
"created_at": "2022-09-04T14:38:14.972358Z",
"updated_at": "2022-09-04T14:38:14.972381Z",
"structure_string": "U1 Co2 Si2\n1.0\n3.638845 0.000000 -1.367394\n-0.513835 3.602384 -1.367394\n-0.008339 -0.009613 5.503269\nU Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.750000 0.500000 Co\n0.750001 0.250000 0.500001 Co\n0.623560 0.623560 0.247121 Si\n0.376439 0.376440 0.752881 Si\n",
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{
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"structure_string": "La1 Ag2 Ge2\n1.0\n4.114965 0.002215 -4.810762\n-0.559668 4.076729 -4.810762\n-0.001931 -0.002215 6.330590\nLa Ag Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.750001 0.250000 0.500001 Ag\n0.250000 0.750001 0.500001 Ag\n0.388028 0.388027 0.000000 Ge\n0.611973 0.611972 0.000000 Ge\n",
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"elements": [
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"formula_full": "La1 Ag2 Ge2",
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{
"id": "jvasp-18009",
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"updated_at": "2022-09-04T14:38:14.229203Z",
"structure_string": "Pr1 Fe2 Ge2\n1.0\n3.856576 -0.000000 -1.404032\n-0.511154 3.822552 -1.404032\n-0.060975 -0.069671 5.831127\nPr Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750002 0.250000 0.500001 Fe\n0.250002 0.750000 0.500001 Fe\n0.638487 0.638485 0.276969 Ge\n0.361517 0.361515 0.723033 Ge\n",
"nsites": 5,
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],
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"density": 7.753888389079369,
"density_atomic": 0.05868010848624244,
"volume": 85.20774976365715,
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"formula_full": "Pr1 Fe2 Ge2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-108724",
"created_at": "2022-09-04T14:38:19.478510Z",
"updated_at": "2022-09-04T14:38:19.478540Z",
"structure_string": "Tm1 Si2 Pt2\n1.0\n3.899615 -0.021915 -4.365702\n-0.584003 3.855700 -4.365702\n0.018953 0.021915 5.853716\nTm Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.250001 0.750000 0.500001 Si\n0.750001 0.250000 0.500001 Si\n0.632372 0.632371 0.000001 Pt\n0.367629 0.367628 0.000000 Pt\n",
"nsites": 5,
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"elements": [
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"Si",
"Pt"
],
"chemical_system": "Pt-Si-Tm",
"density": 11.519749597611835,
"density_atomic": 0.05637621831506839,
"volume": 88.6898793398419,
"volume_molar": 10.682058747438878,
"formula_full": "Tm1 Si2 Pt2",
"formula_reduced": "Tm(SiPt)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-18085",
"created_at": "2022-09-04T14:38:15.054856Z",
"updated_at": "2022-09-04T14:38:15.054872Z",
"structure_string": "Pu2 S1 O2\n1.0\n1.931390 -3.345266 -0.000000\n1.931390 3.345266 0.000000\n-0.000000 0.000000 6.650048\nPu S O\n2 1 2\ndirect\n0.666667 0.333333 0.275183 Pu\n0.333333 0.666667 0.724817 Pu\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.371008 O\n0.666667 0.333333 0.628992 O\n",
"nsites": 5,
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"elements": [
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"S",
"O"
],
"chemical_system": "O-Pu-S",
"density": 10.667998776073048,
"density_atomic": 0.05818547627939111,
"volume": 85.93209714381878,
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"formula_full": "Pu2 S1 O2",
"formula_reduced": "Pu2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.2105714,
"spacegroup": 164
},
{
"id": "jvasp-17744",
"created_at": "2022-09-04T14:38:14.250281Z",
"updated_at": "2022-09-04T14:38:14.250304Z",
"structure_string": "Pr1 Mn2 Ge2\n1.0\n3.787870 0.000000 -1.338345\n-0.472870 3.758238 -1.338345\n0.066772 0.075699 6.218488\nPr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.750001 0.500000 Mn\n0.750000 0.250000 0.499999 Mn\n0.625466 0.625467 0.250932 Ge\n0.374533 0.374534 0.749067 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
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"density": 7.36547759432835,
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"volume": 89.2921476864092,
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"formula_full": "Pr1 Mn2 Ge2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-16259",
"created_at": "2022-09-04T14:38:19.800285Z",
"updated_at": "2022-09-04T14:38:19.800315Z",
"structure_string": "Nd1 Al2 Ge2\n1.0\n2.154854 -3.732317 -0.000000\n2.154854 3.732317 0.000000\n-0.000000 -0.000000 6.865324\nNd Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.666666 0.333332 0.357149 Al\n0.333332 0.666666 0.642851 Al\n0.666666 0.333332 0.733161 Ge\n0.333332 0.666666 0.266838 Ge\n",
"nsites": 5,
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],
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"volume": 110.43008511918258,
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"formula_full": "Nd1 Al2 Ge2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-17977",
"created_at": "2022-09-04T14:38:13.879636Z",
"updated_at": "2022-09-04T14:38:13.879660Z",
"structure_string": "Np1 Co2 Si2\n1.0\n3.610058 -0.000000 -1.336046\n-0.494458 3.576035 -1.336046\n-0.003373 -0.003871 5.536178\nNp Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.750001 0.500000 Co\n0.750001 0.250001 0.500000 Co\n0.622777 0.622778 0.245553 Si\n0.377224 0.377224 0.754447 Si\n",
"nsites": 5,
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"elements": [
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"Co",
"Si"
],
"chemical_system": "Co-Np-Si",
"density": 9.55501601369784,
"density_atomic": 0.06999564129485597,
"volume": 71.4330193638422,
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"formula_full": "Np1 Co2 Si2",
"formula_reduced": "Np(CoSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.1691698,
"spacegroup": 139
},
{
"id": "jvasp-14404",
"created_at": "2022-09-04T14:38:10.049632Z",
"updated_at": "2022-09-04T14:38:10.049662Z",
"structure_string": "Ca1 Mn2 P2\n1.0\n1.895398 -3.282927 -0.000000\n1.895398 3.282927 0.000000\n-0.000000 -0.000000 6.758522\nCa Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666668 0.616664 Mn\n0.666668 0.333333 0.383336 Mn\n0.666668 0.333333 0.719283 P\n0.333333 0.666668 0.280716 P\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.183502095197597,
"density_atomic": 0.0594465469615093,
"volume": 84.10917463780396,
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"formula_full": "Ca1 Mn2 P2",
"formula_reduced": "Ca(MnP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.8367711805517235,
"spacegroup": 164
},
{
"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",
"nsites": 5,
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"formula_full": "Li2 Co1 O2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 71
},
{
"id": "jvasp-108955",
"created_at": "2022-09-04T14:38:20.488740Z",
"updated_at": "2022-09-04T14:38:20.488751Z",
"structure_string": "Ca2 Mg1 N2\n1.0\n3.564683 0.005395 0.001485\n-1.786247 3.083967 0.000000\n-0.006814 -0.003947 8.093573\nCa Mg N\n2 1 2\ndirect\n0.666867 0.333434 0.279257 Ca\n0.333133 0.666567 0.720743 Ca\n0.000000 0.000000 0.000000 Mg\n0.666707 0.333354 0.841590 N\n0.333294 0.666648 0.158410 N\n",
"nsites": 5,
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],
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"density": 2.4701845069212416,
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"volume": 89.0536378590479,
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},
{
"id": "jvasp-17772",
"created_at": "2022-09-04T14:38:14.449214Z",
"updated_at": "2022-09-04T14:38:14.449238Z",
"structure_string": "U1 Fe2 Ge2\n1.0\n3.773998 -0.000000 -1.413385\n-0.529321 3.736693 -1.413385\n-0.072204 -0.083154 5.552526\nU Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250001 0.750000 0.500001 Fe\n0.750001 0.250000 0.500002 Fe\n0.629868 0.629867 0.259736 Ge\n0.370134 0.370133 0.740267 Ge\n",
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"volume": 77.41613112123594,
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"formula_full": "U1 Fe2 Ge2",
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"spacegroup": 139
}
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}