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"id": "jvasp-50198",
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{
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"structure_string": "Ca4 Sn2 N4\n1.0\n5.118207 -0.002328 0.003337\n-2.556454 5.551934 -0.143010\n-0.005479 -2.694550 6.279328\nCa Sn N\n4 2 4\ndirect\n0.327816 0.666928 0.415651 Ca\n0.658762 0.328818 0.584014 Ca\n0.981924 0.969660 0.257673 Ca\n0.010131 0.026079 0.741997 Ca\n0.725282 0.299209 0.113554 Sn\n0.423931 0.696512 0.886106 Sn\n0.790067 0.646002 0.399472 N\n0.141933 0.349732 0.600191 N\n0.473393 0.015706 0.776946 N\n0.455556 -0.019973 0.222709 N\n",
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{
"id": "jvasp-37276",
"created_at": "2022-09-04T14:37:26.948204Z",
"updated_at": "2022-09-04T14:37:26.948213Z",
"structure_string": "Sm2 B4 Os4\n1.0\n-3.342101 4.545078 0.000000\n-3.342101 -4.545078 0.000000\n3.342101 0.000000 4.970034\nSm B Os\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250001 0.750001 0.500001 Sm\n0.687774 0.312225 0.000000 B\n0.312225 0.687774 0.000000 B\n0.937778 0.062224 0.500001 B\n0.562224 0.437778 0.500001 B\n0.611721 0.111721 0.223442 Os\n0.638277 0.638277 0.276557 Os\n0.361721 0.361721 0.723443 Os\n0.888280 0.388279 0.776557 Os\n",
"nsites": 10,
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"elements": [
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"density": 12.151097775560668,
"density_atomic": 0.06622923421665727,
"volume": 150.9907236325089,
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"formula_full": "Sm2 B4 Os4",
"formula_reduced": "Sm(BOs)2",
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"spacegroup": 70
},
{
"id": "jvasp-15140",
"created_at": "2022-09-04T14:37:12.055686Z",
"updated_at": "2022-09-04T14:37:12.055715Z",
"structure_string": "Tb1 Si2 Rh2\n1.0\n3.815317 -0.000000 -1.431273\n-0.536927 3.777348 -1.431273\n-0.011374 -0.013105 5.770526\nTb Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.621859 0.621859 0.243717 Si\n0.378143 0.378143 0.756286 Si\n0.250000 0.750001 0.500001 Rh\n0.750001 0.250001 0.500001 Rh\n",
"nsites": 5,
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"volume": 83.0204245328244,
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"formula_full": "Tb1 Si2 Rh2",
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"spacegroup": 139
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{
"id": "jvasp-56793",
"created_at": "2022-09-04T14:37:27.822596Z",
"updated_at": "2022-09-04T14:37:27.822623Z",
"structure_string": "Sm1 Si2 Os2\n1.0\n3.930048 0.000000 -1.530579\n-0.596092 3.884578 -1.530579\n-0.032125 -0.037431 5.728368\nSm Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.369908 0.369907 0.739813 Si\n0.630094 0.630093 0.260188 Si\n0.750001 0.250000 0.500000 Os\n0.250001 0.750000 0.500000 Os\n",
"nsites": 5,
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"volume": 87.00226521331638,
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"formula_full": "Sm1 Si2 Os2",
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{
"id": "jvasp-7660",
"created_at": "2022-09-04T14:37:06.032019Z",
"updated_at": "2022-09-04T14:37:06.032043Z",
"structure_string": "Lu2 Al1 Si2\n1.0\n3.737097 -0.000000 1.474083\n1.171149 4.725197 2.505088\n-0.000268 -0.020074 5.474864\nLu Al Si\n2 1 2\ndirect\n0.788207 0.711794 0.711792 Lu\n0.211793 0.288208 0.288207 Lu\n0.000000 0.000000 0.000000 Al\n0.500000 0.289701 0.710299 Si\n0.500000 0.710301 0.289699 Si\n",
"nsites": 5,
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"spacegroup": 71
},
{
"id": "jvasp-8336",
"created_at": "2022-09-04T14:37:07.610560Z",
"updated_at": "2022-09-04T14:37:07.610576Z",
"structure_string": "Ca1 Fe2 N2\n1.0\n3.504624 0.000000 0.000000\n0.000000 3.504624 0.000000\n0.000000 0.000000 5.951454\nCa Fe N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.499999 0.499999 0.812251 Fe\n0.499999 0.499999 0.187749 Fe\n0.499999 0.000000 0.215681 N\n0.000000 0.499999 0.784318 N\n",
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"formula_full": "Ca1 Fe2 N2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 115
},
{
"id": "jvasp-56885",
"created_at": "2022-09-04T14:38:11.692806Z",
"updated_at": "2022-09-04T14:38:11.692831Z",
"structure_string": "Nd1 Ni2 As2\n1.0\n3.839840 -0.000000 -1.458012\n-0.553617 3.799720 -1.458012\n0.017609 0.020361 5.831706\nNd Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500001 Ni\n0.250000 0.750000 0.500001 Ni\n0.367236 0.367236 0.734472 As\n0.632763 0.632764 0.265529 As\n",
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"formula_full": "Nd1 Ni2 As2",
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},
{
"id": "jvasp-8504",
"created_at": "2022-09-04T14:37:06.494298Z",
"updated_at": "2022-09-04T14:37:06.494308Z",
"structure_string": "Th1 Ge2 Pt2\n1.0\n4.147361 0.000000 -1.659185\n-0.663770 4.093899 -1.659185\n-0.063576 -0.074714 5.854124\nTh Ge Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.625928 0.625929 0.251856 Ge\n0.374071 0.374072 0.748142 Ge\n0.250000 0.750001 0.499999 Pt\n0.749999 0.250001 0.499999 Pt\n",
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"volume": 98.36820065981524,
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},
{
"id": "jvasp-17769",
"created_at": "2022-09-04T14:37:27.971362Z",
"updated_at": "2022-09-04T14:37:27.971382Z",
"structure_string": "U1 Si2 Ni2\n1.0\n3.703954 -0.000000 -1.425207\n-0.548391 3.663134 -1.425207\n0.001894 0.002199 5.530609\nU Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.624296 0.624296 0.248593 Si\n0.375702 0.375703 0.751406 Si\n0.749999 0.250000 0.499999 Ni\n0.249999 0.749999 0.499999 Ni\n",
"nsites": 5,
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},
{
"id": "jvasp-56911",
"created_at": "2022-09-04T14:37:12.509325Z",
"updated_at": "2022-09-04T14:37:12.509355Z",
"structure_string": "Sm1 Cr2 Si2\n1.0\n3.683709 0.000000 -1.279983\n-0.444757 3.656761 -1.279983\n0.043487 0.049096 6.065880\nSm Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.750000 0.500001 Cr\n0.750001 0.250000 0.500001 Cr\n0.381649 0.381649 0.763299 Si\n0.618351 0.618351 0.236702 Si\n",
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{
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"created_at": "2022-09-04T14:37:27.328015Z",
"updated_at": "2022-09-04T14:37:27.328043Z",
"structure_string": "Np1 Co2 Ge2\n1.0\n3.752652 0.000000 -1.386650\n-0.512385 3.717508 -1.386650\n-0.056526 -0.064851 5.618198\nNp Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.750001 0.500001 Co\n0.749999 0.250000 0.500000 Co\n0.626892 0.626893 0.253784 Ge\n0.373108 0.373109 0.746216 Ge\n",
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