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{
"id": "jvasp-57081",
"created_at": "2022-09-04T14:37:49.396716Z",
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{
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"structure_string": "Ho2 Se4\n1.0\n4.060075 0.000000 -0.000000\n0.000000 4.060075 0.000000\n0.000000 0.000000 8.251946\nHo Se\n2 4\ndirect\n0.499999 0.000000 0.726554 Ho\n0.000000 0.499999 0.273447 Ho\n0.499999 0.000000 0.369742 Se\n0.000000 0.499999 0.630258 Se\n0.499999 0.499999 0.000000 Se\n0.000000 0.000000 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:37:47.740605Z",
"updated_at": "2022-09-04T14:37:47.740620Z",
"structure_string": "Tm1 Mg2\n1.0\n-1.874982 -0.000000 -2.643232\n0.000000 -5.173226 -0.000000\n-3.653369 2.586611 2.592923\nTm Mg\n1 2\ndirect\n0.666666 0.416667 0.666667 Tm\n0.166579 0.083333 0.000000 Mg\n0.166753 0.750000 0.333334 Mg\n",
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"spacegroup": 191
},
{
"id": "jvasp-19628",
"created_at": "2022-09-04T14:37:54.746704Z",
"updated_at": "2022-09-04T14:37:54.746725Z",
"structure_string": "Ba1 Ga2\n1.0\n2.221800 -3.848271 -0.000000\n2.221800 3.848271 -0.000000\n-0.000000 0.000000 5.092719\nBa Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n",
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},
{
"id": "jvasp-20251",
"created_at": "2022-09-04T14:37:48.007597Z",
"updated_at": "2022-09-04T14:37:48.007622Z",
"structure_string": "Er2 Ni4\n1.0\n4.351946 -0.000000 2.512597\n1.450649 4.103054 2.512597\n0.000000 -0.000000 5.025194\nEr Ni\n2 4\ndirect\n0.125000 0.125000 0.125000 Er\n0.875001 0.874999 0.875000 Er\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500001 0.500000 0.500000 Ni\n0.500001 0.500000 0.000000 Ni\n",
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},
{
"id": "jvasp-582",
"created_at": "2022-09-04T14:37:42.213450Z",
"updated_at": "2022-09-04T14:37:42.213472Z",
"structure_string": "Nb4 Se8\n1.0\n1.726548 -2.990469 0.000000\n1.726548 2.990469 0.000000\n0.000000 0.000000 27.336311\nNb Se\n4 8\ndirect\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.234349 Nb\n0.333333 0.666668 0.000000 Nb\n0.000000 0.000000 0.765651 Nb\n0.000000 0.000000 0.411558 Se\n0.666668 0.333333 0.061957 Se\n0.666668 0.333333 0.703620 Se\n0.333333 0.666668 0.172399 Se\n0.666668 0.333333 0.938043 Se\n0.666668 0.333333 0.296380 Se\n0.000000 0.000000 0.588442 Se\n0.333333 0.666668 0.827601 Se\n",
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"volume": 282.28504065587265,
"volume_molar": 14.166335410599899,
"formula_full": "Nb4 Se8",
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{
"id": "jvasp-20442",
"created_at": "2022-09-04T14:37:52.170511Z",
"updated_at": "2022-09-04T14:37:52.170542Z",
"structure_string": "Yb2 Rh4\n1.0\n4.556698 -0.000000 2.630811\n1.518900 4.296096 2.630811\n-0.000000 0.000000 5.261621\nYb Rh\n2 4\ndirect\n0.875000 0.875001 0.874999 Yb\n0.125000 0.125000 0.125000 Yb\n0.500000 0.500001 0.499999 Rh\n0.500000 0.500001 -0.000000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n",
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"formula_full": "Yb2 Rh4",
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"spacegroup": 227
},
{
"id": "jvasp-23086",
"created_at": "2022-09-04T14:37:31.345135Z",
"updated_at": "2022-09-04T14:37:31.345156Z",
"structure_string": "Mg16 Pd8\n1.0\n7.399139 0.000000 4.271895\n2.466380 6.975976 4.271895\n0.000000 0.000000 8.543791\nMg Pd\n16 8\ndirect\n0.820019 0.429981 0.429980 Mg\n0.000000 0.000000 0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 0.500000 -0.000000 Mg\n0.179981 0.570020 0.570019 Mg\n0.820019 0.429981 0.820018 Mg\n0.820019 0.820020 0.429980 Mg\n0.429981 0.820020 0.820018 Mg\n0.429981 0.820020 0.429980 Mg\n0.179981 0.570020 0.179980 Mg\n0.570019 0.179981 0.570019 Mg\n0.570019 0.179981 0.179980 Mg\n0.179981 0.179981 0.570019 Mg\n0.570019 0.570020 0.179980 Mg\n0.429981 0.429981 0.820019 Mg\n0.781571 0.781572 0.155284 Pd\n0.844715 0.218429 0.218428 Pd\n0.218429 0.844715 0.218428 Pd\n0.218429 0.218429 0.844715 Pd\n0.781571 0.781572 0.781570 Pd\n0.781571 0.155285 0.781571 Pd\n0.155285 0.781572 0.781571 Pd\n0.218429 0.218429 0.218428 Pd\n",
"nsites": 24,
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"density": 4.670012592736268,
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"volume": 440.9981624382076,
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{
"id": "jvasp-37303",
"created_at": "2022-09-04T14:37:55.163855Z",
"updated_at": "2022-09-04T14:37:55.163877Z",
"structure_string": "Sn2 I4\n1.0\n7.562997 0.000000 0.000000\n-0.000000 7.562997 0.000000\n0.000000 0.000000 4.648176\nSn I\n2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.296653 0.296653 0.000000 I\n0.703347 0.703347 0.000000 I\n0.203347 0.796654 0.500000 I\n0.796654 0.203347 0.500000 I\n",
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"spacegroup": 136
},
{
"id": "jvasp-59727",
"created_at": "2022-09-04T14:37:32.259350Z",
"updated_at": "2022-09-04T14:37:32.259367Z",
"structure_string": "Fe8 N4\n1.0\n4.333564 -0.000000 0.000000\n0.000000 4.736247 0.000000\n0.000000 0.000000 5.448042\nFe N\n8 4\ndirect\n0.251180 0.084684 0.875554 Fe\n0.751179 0.915317 0.624445 Fe\n0.248820 0.584684 0.624445 Fe\n0.748819 0.415316 0.875554 Fe\n0.251180 0.584684 0.124446 Fe\n0.751179 0.415316 0.375554 Fe\n0.248820 0.084684 0.375554 Fe\n0.748819 0.915317 0.124446 Fe\n0.500000 0.750000 0.863865 N\n0.000000 0.250000 0.636135 N\n0.500000 0.250000 0.136135 N\n0.000000 0.750000 0.363865 N\n",
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{
"id": "jvasp-28347",
"created_at": "2022-09-04T14:37:54.249957Z",
"updated_at": "2022-09-04T14:37:54.249977Z",
"structure_string": "Zr1 N2\n1.0\n3.252122 -0.185088 -1.084674\n-1.786351 3.094052 -0.000000\n-1.436941 -0.829618 4.129720\nZr N\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.344771 0.172385 0.678120 N\n0.655228 0.827613 0.321881 N\n",
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{
"id": "jvasp-13950",
"created_at": "2022-09-04T14:37:49.529350Z",
"updated_at": "2022-09-04T14:37:49.529383Z",
"structure_string": "Be2 Br4\n1.0\n5.026090 0.000000 -2.360665\n-1.097292 4.822474 -2.336243\n-0.020829 0.035674 6.486509\nBe Br\n2 4\ndirect\n0.250000 -0.000000 0.000000 Be\n0.750000 -0.000000 0.000001 Be\n0.116127 0.335487 0.232253 Br\n0.883873 0.664511 0.767747 Br\n0.383873 0.103233 0.767747 Br\n0.616127 0.896765 0.232254 Br\n",
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}