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{
"id": "jvasp-17786",
"created_at": "2022-09-04T14:38:13.797400Z",
"updated_at": "2022-09-04T14:38:13.797421Z",
"structure_string": "Y1 Mn2 Ge2\n1.0\n3.716219 -0.000000 -1.280573\n-0.441273 3.689928 -1.280573\n0.021536 0.024265 6.095012\nY Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250001 0.750000 0.500001 Mn\n0.750001 0.250000 0.500000 Mn\n0.619819 0.619818 0.239638 Ge\n0.380183 0.380181 0.760363 Ge\n",
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{
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"updated_at": "2022-09-04T14:38:04.329942Z",
"structure_string": "Yb2 Te1 O2\n1.0\n-1.888341 1.888341 7.056781\n1.888341 -1.888341 7.056781\n1.888341 1.888341 -7.056781\nYb Te O\n2 1 2\ndirect\n0.328306 0.328306 0.000000 Yb\n0.671694 0.671694 0.000000 Yb\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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{
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"structure_string": "Dy4 In2 Au4\n1.0\n7.933365 0.000000 0.000000\n0.000000 7.933365 0.000000\n0.000000 0.000000 3.716459\nDy In Au\n4 2 4\ndirect\n0.330951 0.830952 0.500000 Dy\n0.830952 0.669049 0.500000 Dy\n0.669049 0.169049 0.500000 Dy\n0.169049 0.330951 0.500000 Dy\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.129506 0.629506 0.000000 Au\n0.629506 0.870495 0.000000 Au\n0.370495 0.129506 0.000000 Au\n0.870495 0.370495 0.000000 Au\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Au-Dy-In",
"density": 11.837808635212403,
"density_atomic": 0.04275193559965403,
"volume": 233.90753798012656,
"volume_molar": 14.086241185413682,
"formula_full": "Dy4 In2 Au4",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5056176219999999,
"spacegroup": 127
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{
"id": "jvasp-17793",
"created_at": "2022-09-04T14:38:14.562675Z",
"updated_at": "2022-09-04T14:38:14.562703Z",
"structure_string": "Yb1 Mn2 Ge2\n1.0\n3.721688 0.000000 -1.304066\n-0.456940 3.693530 -1.304066\n0.047917 0.054211 6.099467\nYb Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.750000 0.500000 Mn\n0.750001 0.250000 0.500000 Mn\n0.621678 0.621678 0.243355 Ge\n0.378323 0.378322 0.756645 Ge\n",
"nsites": 5,
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"elements": [
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],
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"density": 8.427547590179861,
"density_atomic": 0.05926242561813289,
"volume": 84.37049189006059,
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"formula_full": "Yb1 Mn2 Ge2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-18012",
"created_at": "2022-09-04T14:38:15.045753Z",
"updated_at": "2022-09-04T14:38:15.045772Z",
"structure_string": "Pu1 Si2 Os2\n1.0\n3.890481 0.000000 -1.511129\n-0.586948 3.845950 -1.511129\n-0.012178 -0.014177 5.732338\nPu Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.626823 0.626823 0.253646 Si\n0.373176 0.373176 0.746354 Si\n0.749999 0.250000 0.500000 Os\n0.249999 0.750000 0.500000 Os\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Os-Pu-Si",
"density": 13.202828403095117,
"density_atomic": 0.05840851437933442,
"volume": 85.6039577984722,
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"formula_full": "Pu1 Si2 Os2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-9240",
"created_at": "2022-09-04T14:38:13.112491Z",
"updated_at": "2022-09-04T14:38:13.112516Z",
"structure_string": "Mg4 Cu2 N4\n1.0\n4.024093 -0.001012 -0.003934\n-2.010650 5.332325 0.037813\n-2.006530 -1.665019 5.958566\nMg Cu N\n4 2 4\ndirect\n0.854274 0.182523 0.524858 Mg\n0.146225 0.819273 0.472033 Mg\n0.690710 0.646902 0.733391 Mg\n0.309810 0.354927 0.263513 Mg\n0.532390 0.174285 0.889230 Cu\n0.468149 0.827516 0.107662 Cu\n0.419851 0.242787 0.595749 N\n0.580668 0.759032 0.401160 N\n0.716972 0.236027 0.196722 N\n0.283542 0.765784 0.800178 N\n",
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"density": 3.635586250938903,
"density_atomic": 0.07809840149077066,
"volume": 128.04359383951999,
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"formula_full": "Mg4 Cu2 N4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 12
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{
"id": "jvasp-11492",
"created_at": "2022-09-04T14:38:12.452688Z",
"updated_at": "2022-09-04T14:38:12.452715Z",
"structure_string": "Na4 Ni2 O4\n1.0\n2.845353 0.000000 0.000000\n-1.422677 5.026579 0.000000\n0.000000 0.000000 8.316408\nNa Ni O\n4 2 4\ndirect\n0.397071 0.794146 0.152542 Na\n0.849255 0.698513 0.830963 Na\n0.602927 0.205855 0.652541 Na\n0.150744 0.301488 0.330961 Na\n0.121813 0.243628 0.998158 Ni\n0.878185 0.756374 0.498158 Ni\n0.720969 0.441940 0.093319 O\n0.520507 0.041016 0.910322 O\n0.279030 0.558061 0.593318 O\n0.479490 0.958984 0.410322 O\n",
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"Ni",
"O"
],
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"density": 3.8160438682455244,
"density_atomic": 0.08407280675207905,
"volume": 118.94452423229832,
"volume_molar": 7.163006675581315,
"formula_full": "Na4 Ni2 O4",
"formula_reduced": "Na2NiO2",
"formula_anonymous": "AB2C2",
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"spacegroup": 36
},
{
"id": "jvasp-13219",
"created_at": "2022-09-04T14:38:05.712972Z",
"updated_at": "2022-09-04T14:38:05.712998Z",
"structure_string": "V2 H4 O4\n1.0\n0.000000 4.752529 -0.002219\n3.261389 0.000000 0.000000\n0.000000 -0.002518 -5.324679\nV H O\n2 4 4\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.020615 0.500000 0.335045 H\n0.979385 0.500000 0.664955 H\n0.479377 0.000000 0.835040 H\n0.520623 0.000000 0.164960 H\n0.152228 0.500000 0.767084 O\n0.347775 0.000000 0.267083 O\n0.652225 0.000000 0.732917 O\n0.847772 0.500000 0.232916 O\n",
"nsites": 10,
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"elements": [
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"H",
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],
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"density": 3.418638384875563,
"density_atomic": 0.12116553244492809,
"volume": 82.531721672128,
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"formula_full": "V2 H4 O4",
"formula_reduced": "V(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.80155624,
"spacegroup": 58
},
{
"id": "jvasp-18148",
"created_at": "2022-09-04T14:38:13.456907Z",
"updated_at": "2022-09-04T14:38:13.456923Z",
"structure_string": "Dy1 Cu2 Ge2\n1.0\n3.810040 -0.000000 -1.390171\n-0.507232 3.776125 -1.390171\n0.000181 0.000208 5.916668\nDy Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.749999 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.618981 0.618980 0.237961 Ge\n0.381019 0.381019 0.762039 Ge\n",
"nsites": 5,
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"elements": [
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"density": 8.482936750298508,
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},
{
"id": "jvasp-17832",
"created_at": "2022-09-04T14:38:14.427060Z",
"updated_at": "2022-09-04T14:38:14.427085Z",
"structure_string": "U1 Co2 Ge2\n1.0\n3.740730 0.000000 -1.411277\n-0.532437 3.702644 -1.411277\n0.010625 0.012261 5.691389\nU Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.749999 0.499999 Co\n0.749999 0.250000 0.499999 Co\n0.627163 0.627164 0.254328 Ge\n0.372834 0.372835 0.745671 Ge\n",
"nsites": 5,
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},
{
"id": "jvasp-17452",
"created_at": "2022-09-04T14:38:15.001897Z",
"updated_at": "2022-09-04T14:38:15.001922Z",
"structure_string": "Zr2 Te2 P1\n1.0\n3.790569 0.006542 9.397978\n1.829219 3.320002 9.397978\n0.011053 0.006542 10.133620\nZr Te P\n2 2 1\ndirect\n0.617933 0.617932 0.617934 Zr\n0.382067 0.382066 0.382068 Zr\n0.220717 0.220717 0.220718 Te\n0.779283 0.779281 0.779284 Te\n0.000000 0.000000 0.000000 P\n",
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"volume": 126.9424919169373,
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{
"id": "jvasp-43383",
"created_at": "2022-09-04T14:38:14.283889Z",
"updated_at": "2022-09-04T14:38:14.283918Z",
"structure_string": "Zr8 N8 O4\n1.0\n5.562541 -0.037658 0.025577\n0.024312 3.159840 9.813306\n2.813884 -4.798473 0.025577\nZr N O\n8 8 4\ndirect\n0.414734 0.712971 0.145877 Zr\n0.323692 0.038507 0.381807 Zr\n0.168974 0.463014 0.666023 Zr\n0.046989 0.786988 0.868012 Zr\n0.906699 0.211494 0.137801 Zr\n0.563628 0.287477 0.859748 Zr\n0.677728 0.962524 0.648894 Zr\n0.817092 0.537031 0.372296 Zr\n0.881322 0.367864 0.944870 N\n0.833035 0.630386 0.746006 N\n0.587038 0.375714 0.545187 N\n0.672992 0.882138 0.250814 N\n0.080527 0.874287 0.537247 N\n0.623868 0.122445 0.042777 N\n0.134379 0.619615 0.036578 N\n0.329669 0.127556 0.753687 N\n0.379851 0.866138 0.931038 O\n0.185099 0.383863 0.254011 O\n0.440632 0.625001 0.434368 O\n0.932036 0.125001 0.442964 O\n",
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}