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{
"id": "jvasp-104902",
"created_at": "2022-09-04T14:36:41.392271Z",
"updated_at": "2022-09-04T14:36:41.392288Z",
"structure_string": "Y4 Ge4 Ru2\n1.0\n5.193908 0.003771 2.556545\n3.430411 3.899868 2.556545\n-0.018488 -0.008368 10.209986\nY Ge Ru\n4 4 2\ndirect\n0.816221 0.816222 0.111114 Y\n0.183779 0.183778 0.888885 Y\n0.001210 0.001210 0.326936 Y\n-0.001210 -0.001210 0.673065 Y\n0.645943 0.645944 0.434096 Ge\n0.354056 0.354056 0.565904 Ge\n0.514439 0.514439 0.123908 Ge\n0.485561 0.485560 0.876091 Ge\n0.727448 0.727448 0.629765 Ru\n0.272552 0.272552 0.370234 Ru\n",
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{
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{
"id": "jvasp-15097",
"created_at": "2022-09-04T14:36:59.553149Z",
"updated_at": "2022-09-04T14:36:59.553159Z",
"structure_string": "Ho1 Ni2 P2\n1.0\n3.626576 -0.000000 -1.381844\n-0.526528 3.588150 -1.381844\n-0.007628 -0.008828 5.429783\nHo Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.750000 0.250000 0.500000 Ni\n0.249999 0.750000 0.500000 Ni\n0.622922 0.622922 0.245845 P\n0.377078 0.377078 0.754156 P\n",
"nsites": 5,
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"elements": [
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],
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"volume": 70.56764503343409,
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"formula_full": "Ho1 Ni2 P2",
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{
"id": "jvasp-7947",
"created_at": "2022-09-04T14:36:59.459011Z",
"updated_at": "2022-09-04T14:36:59.459022Z",
"structure_string": "Ce1 Ge2 Pt2\n1.0\n4.099122 -0.000000 -1.669033\n-0.679577 4.042397 -1.669033\n0.000400 0.000474 5.869192\nCe Ge Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.625188 0.625189 0.250378 Ge\n0.374811 0.374811 0.749622 Ge\n0.249999 0.750000 0.500000 Pt\n0.749999 0.250000 0.500000 Pt\n",
"nsites": 5,
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"elements": [
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"density_atomic": 0.05140826508159499,
"volume": 97.26062515558579,
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"formula_full": "Ce1 Ge2 Pt2",
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"energy_above_hull": 1.76846204,
"spacegroup": 139
},
{
"id": "jvasp-15106",
"created_at": "2022-09-04T14:36:59.455730Z",
"updated_at": "2022-09-04T14:36:59.455761Z",
"structure_string": "Tm1 Fe2 Si2\n1.0\n3.701954 -0.000000 -1.354772\n-0.495794 3.668604 -1.354772\n-0.091262 -0.104425 5.485862\nTm Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.749999 0.249999 0.500000 Fe\n0.250001 0.749999 0.500000 Fe\n0.632703 0.632703 0.265408 Si\n0.367297 0.367295 0.734592 Si\n",
"nsites": 5,
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"elements": [
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"Fe",
"Si"
],
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"density": 7.6135527289559635,
"density_atomic": 0.0680679013120461,
"volume": 73.45606230869852,
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"formula_full": "Tm1 Fe2 Si2",
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{
"id": "jvasp-15666",
"created_at": "2022-09-04T14:36:43.544772Z",
"updated_at": "2022-09-04T14:36:43.544791Z",
"structure_string": "Dy1 Co2 Si2\n1.0\n3.645131 -0.000000 -1.364520\n-0.510795 3.609165 -1.364520\n0.014176 0.016324 5.588867\nDy Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250001 0.749999 0.500000 Co\n0.750001 0.249999 0.500000 Co\n0.628652 0.628650 0.257302 Si\n0.371350 0.371348 0.742698 Si\n",
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"spacegroup": 139
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{
"id": "jvasp-27528",
"created_at": "2022-09-04T14:37:00.772953Z",
"updated_at": "2022-09-04T14:37:00.772976Z",
"structure_string": "Dy8 S8 O4\n1.0\n0.000000 6.859173 0.013756\n6.898543 0.000000 0.000000\n0.000000 -1.354055 -8.141381\nDy S O\n8 8 4\ndirect\n0.249518 0.054422 0.137391 Dy\n0.250482 0.554422 0.862609 Dy\n0.750482 0.945578 0.862608 Dy\n0.749518 0.445578 0.137391 Dy\n0.320707 0.143163 0.576744 Dy\n0.179293 0.643163 0.423256 Dy\n0.679293 0.856837 0.423255 Dy\n0.820707 0.356837 0.576744 Dy\n0.924289 0.133987 0.319036 S\n0.530119 0.777686 0.076812 S\n0.969881 0.277686 0.923187 S\n0.469881 0.222314 0.923187 S\n0.575711 0.633987 0.680963 S\n0.424289 0.366013 0.319036 S\n0.030119 0.722314 0.076812 S\n0.075711 0.866013 0.680963 S\n0.350234 0.912914 0.383079 O\n0.649766 0.087086 0.616920 O\n0.149767 0.412914 0.616920 O\n0.850234 0.587085 0.383079 O\n",
"nsites": 20,
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"elements": [
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"S",
"O"
],
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"density": 6.987479074262419,
"density_atomic": 0.05193350884594476,
"volume": 385.10781274817913,
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"formula_full": "Dy8 S8 O4",
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"spacegroup": 14
},
{
"id": "jvasp-15592",
"created_at": "2022-09-04T14:37:00.262916Z",
"updated_at": "2022-09-04T14:37:00.262944Z",
"structure_string": "Tb1 Ni2 P2\n1.0\n3.643669 0.000000 -1.391868\n-0.531688 3.604669 -1.391868\n-0.004705 -0.005449 5.452865\nTb Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.623914 0.623914 0.247829 P\n0.376087 0.376086 0.752171 P\n",
"nsites": 5,
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"elements": [
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"density_atomic": 0.06986766866586572,
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"formula_full": "Tb1 Ni2 P2",
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"spacegroup": 139
},
{
"id": "jvasp-8273",
"created_at": "2022-09-04T14:36:59.624014Z",
"updated_at": "2022-09-04T14:36:59.624037Z",
"structure_string": "Ca1 Cu2 N2\n1.0\n3.589120 0.000000 0.000000\n0.000000 3.589131 0.000000\n0.000000 0.000000 6.111196\nCa Cu N\n1 2 2\ndirect\n0.000000 0.000000 0.250005 Ca\n0.500000 0.500000 0.957799 Cu\n0.500000 0.500000 0.542202 Cu\n0.500000 0.000000 0.508750 N\n0.000000 0.500000 0.991248 N\n",
"nsites": 5,
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"elements": [
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],
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"spacegroup": 115
},
{
"id": "jvasp-15573",
"created_at": "2022-09-04T14:36:59.570170Z",
"updated_at": "2022-09-04T14:36:59.570189Z",
"structure_string": "Pr1 Mn2 Si2\n1.0\n3.760589 -0.000000 -1.341228\n-0.478355 3.730042 -1.341228\n0.017524 0.019914 5.991793\nPr Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.749999 0.499999 Mn\n0.750000 0.249999 0.499999 Mn\n0.627187 0.627186 0.254373 Si\n0.372813 0.372812 0.745626 Si\n",
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"formula_full": "Pr1 Mn2 Si2",
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},
{
"id": "jvasp-15527",
"created_at": "2022-09-04T14:36:59.561054Z",
"updated_at": "2022-09-04T14:36:59.561062Z",
"structure_string": "Ca1 P2 Ru2\n1.0\n3.810108 -0.000000 -1.458031\n-0.557952 3.769033 -1.458031\n0.001483 0.001719 5.711151\nCa P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.632685 0.632684 0.265371 P\n0.367315 0.367315 0.734629 P\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
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{
"id": "jvasp-2394",
"created_at": "2022-09-04T14:37:00.843438Z",
"updated_at": "2022-09-04T14:37:00.843464Z",
"structure_string": "Na2 Hg1 O2\n1.0\n3.306724 -0.000000 -0.821929\n-0.204301 3.300406 -0.821929\n0.019485 0.020728 7.141041\nNa Hg O\n2 1 2\ndirect\n0.676792 0.676794 0.353585 Na\n0.323206 0.323208 0.646414 Na\n0.000000 0.000000 0.000000 Hg\n0.850518 0.850521 0.701040 O\n0.149479 0.149480 0.298960 O\n",
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