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{
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{
"id": "jvasp-30351",
"created_at": "2022-09-04T14:36:40.249643Z",
"updated_at": "2022-09-04T14:36:40.249661Z",
"structure_string": "Ti1 Mn5 O12\n1.0\n2.423885 4.210393 0.459609\n-2.454592 4.215986 0.229804\n0.416125 0.722827 9.105253\nTi Mn O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.145070 0.709862 0.499999 Mn\n0.666729 0.666542 -0.000000 Mn\n0.333271 0.333459 -0.000000 Mn\n0.854929 0.290140 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.038058 0.351983 0.889888 O\n0.313927 0.000000 0.110266 O\n0.609959 0.351983 0.110112 O\n0.801921 0.658926 0.601340 O\n0.125768 0.000001 0.625942 O\n0.198078 0.341076 0.398659 O\n0.539154 0.658925 0.398659 O\n0.686071 0.000002 0.889734 O\n0.390040 0.648019 0.889888 O\n-0.038058 0.648018 0.110111 O\n0.460845 0.341077 0.601340 O\n0.874230 0.000001 0.374058 O\n",
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{
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"structure_string": "V4 N2 O2\n1.0\n4.836137 -0.041753 3.300408\n2.374936 2.807527 6.608037\n-0.055482 -0.099163 5.009511\nV N O\n4 2 2\ndirect\n0.040373 0.920903 0.062735 V\n0.267673 0.513095 0.016025 V\n0.690226 0.534210 0.013408 V\n0.481603 0.036051 0.928938 V\n0.779555 0.975432 0.513658 N\n0.512321 0.474769 0.548805 N\n0.235132 0.053559 0.436058 O\n0.968490 0.484829 0.538275 O\n",
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"formula_full": "V4 N2 O2",
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"spacegroup": 5
},
{
"id": "jvasp-52857",
"created_at": "2022-09-04T14:36:41.186233Z",
"updated_at": "2022-09-04T14:36:41.186253Z",
"structure_string": "Cr7 Se8\n1.0\n6.426016 3.730244 -0.113517\n0.024161 3.730244 6.016665\n6.450177 0.000000 5.903149\nCr Se\n7 8\ndirect\n0.500000 0.499999 0.500001 Cr\n0.500000 -0.000001 0.000000 Cr\n-0.000000 0.500000 0.500001 Cr\n0.769118 0.769118 0.730883 Cr\n0.230881 0.230881 0.269119 Cr\n0.765643 0.234356 0.242553 Cr\n0.234356 0.765643 0.757449 Cr\n0.951600 0.048399 0.715526 Se\n0.048399 0.951600 0.284476 Se\n0.463769 0.536230 0.203617 Se\n0.536230 0.463769 0.796384 Se\n0.470285 0.042352 0.698562 Se\n0.042352 0.470284 0.788802 Se\n0.957647 0.529714 0.211200 Se\n0.529714 0.957647 0.301440 Se\n",
"nsites": 15,
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"elements": [
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"density": 5.7314071421133885,
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"volume": 288.46671753040516,
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"formula_full": "Cr7 Se8",
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"spacegroup": 12
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{
"id": "jvasp-51097",
"created_at": "2022-09-04T14:38:13.717767Z",
"updated_at": "2022-09-04T14:38:13.717798Z",
"structure_string": "Ta1 Fe1 Sb1\n1.0\n-0.000000 3.106785 3.106785\n3.106785 -0.000000 3.106785\n3.106785 3.106785 -0.000000\nTa Fe Sb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ta\n0.000000 0.000000 0.000000 Fe\n0.499999 0.499999 0.499999 Sb\n",
"nsites": 3,
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"volume": 59.97407999849657,
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{
"id": "jvasp-110435",
"created_at": "2022-09-04T14:38:37.772849Z",
"updated_at": "2022-09-04T14:38:37.772878Z",
"structure_string": "Ho1 Pa1 Ru2\n1.0\n4.180193 -0.000000 2.413436\n1.393398 3.941124 2.413436\n0.000000 -0.000000 4.826871\nHo Pa Ru\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Ho\n0.000000 0.000000 0.000000 Pa\n0.250000 0.250000 0.250001 Ru\n0.750000 0.749999 0.750002 Ru\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ho1 Pa1 Ru2",
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{
"id": "jvasp-109066",
"created_at": "2022-09-04T14:37:49.238215Z",
"updated_at": "2022-09-04T14:37:49.238250Z",
"structure_string": "Os2 Rh6\n1.0\n5.467721 0.000000 0.000000\n-2.733861 4.735185 0.000000\n-0.000000 -0.000000 4.377293\nOs Rh\n2 6\ndirect\n0.333334 0.666667 0.749999 Os\n0.666667 0.333334 0.250000 Os\n0.831739 0.168261 0.749999 Rh\n0.336522 0.168261 0.749999 Rh\n0.831740 0.663478 0.749999 Rh\n0.168261 0.831740 0.250000 Rh\n0.663478 0.831740 0.250000 Rh\n0.168261 0.336523 0.250000 Rh\n",
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{
"id": "jvasp-116345",
"created_at": "2022-09-04T14:38:30.845481Z",
"updated_at": "2022-09-04T14:38:30.845515Z",
"structure_string": "Mo1 N1\n1.0\n3.347169 -0.000000 -0.000000\n-1.673585 2.898734 0.000000\n-0.000000 0.000000 2.830510\nMo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333335 0.666666 0.000000 N\n",
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"volume": 27.46317211466804,
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"spacegroup": 187
},
{
"id": "jvasp-37108",
"created_at": "2022-09-04T14:38:06.308050Z",
"updated_at": "2022-09-04T14:38:06.308067Z",
"structure_string": "Ru2 C2\n1.0\n-1.391693 -2.410482 -0.000000\n-2.783384 0.000000 0.000000\n-1.391693 -0.803494 -6.279288\nRu C\n2 2\ndirect\n0.228806 0.228806 0.313580 Ru\n0.771192 0.771192 0.686420 Ru\n0.036943 0.036944 0.889169 C\n0.963055 0.963054 0.110831 C\n",
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"formula_full": "Ru2 C2",
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},
{
"id": "jvasp-89098",
"created_at": "2022-09-04T14:36:08.754081Z",
"updated_at": "2022-09-04T14:36:08.754118Z",
"structure_string": "Zr6 Ga2 Co1\n1.0\n7.817783 -0.000000 0.000000\n-3.908892 6.770399 -0.000000\n0.000000 -0.000000 3.367121\nZr Ga Co\n6 2 1\ndirect\n0.249884 0.000000 0.000000 Zr\n0.750116 0.750116 0.000000 Zr\n0.000000 0.249884 0.000000 Zr\n0.000000 0.594466 0.500000 Zr\n0.405534 0.405534 0.500000 Zr\n0.594465 0.000000 0.500000 Zr\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 9,
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},
{
"id": "jvasp-119149",
"created_at": "2022-09-04T14:38:35.625154Z",
"updated_at": "2022-09-04T14:38:35.625170Z",
"structure_string": "Sm2 Co16 Ag1\n1.0\n6.270625 0.003714 0.711084\n0.635421 6.238348 0.711084\n0.004109 0.003714 6.310813\nSm Co Ag\n2 16 1\ndirect\n0.652333 0.652333 0.652333 Sm\n0.343923 0.343923 0.343922 Sm\n0.006641 0.006641 0.488027 Co\n0.488027 0.006641 0.006641 Co\n0.006641 0.488028 0.006641 Co\n0.649088 0.649089 0.158062 Co\n0.158063 0.649089 0.649088 Co\n0.649088 0.158062 0.649088 Co\n0.344957 0.344957 0.846913 Co\n0.846913 0.344957 0.344957 Co\n0.344957 0.846913 0.344957 Co\n0.290426 0.000613 0.710554 Co\n0.710554 0.290426 0.000613 Co\n0.000613 0.710554 0.290425 Co\n0.290426 0.710554 0.000613 Co\n0.000613 0.290426 0.710554 Co\n0.710554 0.000613 0.290426 Co\n0.108353 0.108353 0.108353 Co\n0.897826 0.897826 0.897825 Ag\n",
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"density": 9.09264119540456,
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{
"id": "jvasp-52444",
"created_at": "2022-09-04T14:37:27.223116Z",
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"structure_string": "Cr2 Cd1 H14 N4 O8\n1.0\n5.949831 3.040546 -2.230663\n-5.949831 3.040546 2.230663\n-0.014199 0.000000 7.624164\nCr Cd H N O\n2 1 14 4 8\ndirect\n0.337590 0.662412 0.778865 Cr\n0.662412 0.337590 0.221135 Cr\n0.000000 0.000000 0.000000 Cd\n0.420033 0.851465 0.204213 H\n0.148536 0.579968 0.204213 H\n0.851465 0.420033 0.795786 H\n0.354858 0.645143 0.410417 H\n0.645143 0.354858 0.589583 H\n0.408560 0.591441 0.237693 H\n0.579968 0.148536 0.795786 H\n0.181132 0.092379 0.358177 H\n0.907623 0.818870 0.358177 H\n0.818870 0.907623 0.641823 H\n0.092379 0.181132 0.641823 H\n0.922281 0.077720 0.302422 H\n0.077720 0.922282 0.697576 H\n0.591441 0.408560 0.762307 H\n0.333867 0.666134 0.264744 N\n0.666134 0.333867 0.735255 N\n-0.001037 0.001037 0.708578 N\n0.001037 -0.001037 0.291422 N\n0.208411 0.791590 0.625738 O\n0.130888 0.420394 0.912745 O\n0.579607 0.869113 0.912745 O\n0.869113 0.579607 0.087255 O\n0.420394 0.130888 0.087255 O\n0.428700 0.571301 0.665525 O\n0.571301 0.428701 0.334475 O\n0.791590 0.208411 0.374261 O\n",
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{
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"structure_string": "Be1 Fe1 Re1\n1.0\n1.324570 -2.294222 -0.000000\n1.324570 2.294222 0.000000\n0.000000 -0.000000 5.864798\nBe Fe Re\n1 1 1\ndirect\n0.000000 0.000000 0.015277 Be\n0.666667 0.333333 0.321265 Fe\n0.333333 0.666667 0.663458 Re\n",
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