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{
"id": "jvasp-20658",
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"structure_string": "Si2 Ni1\n1.0\n3.352918 -0.000000 1.935808\n1.117639 3.161162 1.935808\n-0.000000 0.000000 3.871616\nSi Ni\n2 1\ndirect\n0.750001 0.750000 0.750001 Si\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Ni\n",
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{
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{
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"structure_string": "Si2 Ni2\n1.0\n3.092850 0.000000 0.000000\n0.000000 3.275932 0.000000\n0.000000 0.000000 4.714908\nSi Ni\n2 2\ndirect\n0.000000 0.000000 0.840148 Si\n0.500000 0.500000 0.159853 Si\n0.000000 0.000000 0.340509 Ni\n0.500000 0.500000 0.659491 Ni\n",
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{
"id": "jvasp-14927",
"created_at": "2022-09-04T14:35:47.796128Z",
"updated_at": "2022-09-04T14:35:47.796147Z",
"structure_string": "V2 Ni1 Se4\n1.0\n3.288733 0.000000 -0.873590\n-0.714155 5.514126 -2.688522\n0.021933 -0.003870 6.709780\nV Ni Se\n2 1 4\ndirect\n0.745253 0.688143 0.490510 V\n0.254744 0.311858 0.509490 V\n0.000000 0.000000 0.000000 Ni\n0.638618 0.977275 0.277239 Se\n0.105432 0.447101 0.210866 Se\n0.361379 0.022726 0.722761 Se\n0.894564 0.552899 0.789134 Se\n",
"nsites": 7,
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"density_atomic": 0.057496072325630594,
"volume": 121.74744668392837,
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"formula_full": "V2 Ni1 Se4",
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"formula_anonymous": "AB2C4",
"energy_above_hull": 2.408583466666667,
"spacegroup": 12
},
{
"id": "jvasp-29591",
"created_at": "2022-09-04T14:37:05.037631Z",
"updated_at": "2022-09-04T14:37:05.037656Z",
"structure_string": "V2 Ni1 Se4\n1.0\n3.582253 0.000000 0.000000\n-1.791126 3.101636 -0.041840\n0.000000 0.163874 11.694342\nV Ni Se\n2 1 4\ndirect\n0.999790 0.999585 0.252975 V\n0.000208 0.000415 0.747025 V\n0.000000 0.000000 0.000000 Ni\n0.666566 0.333133 0.119467 Se\n0.333432 0.666868 0.880533 Se\n0.333026 0.666053 0.374467 Se\n0.666973 0.333947 0.625533 Se\n",
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},
{
"id": "jvasp-119049",
"created_at": "2022-09-04T14:38:51.453918Z",
"updated_at": "2022-09-04T14:38:51.453927Z",
"structure_string": "U8 Ni1 Se17\n1.0\n8.078236 0.004279 1.447473\n3.345879 7.352755 1.447473\n-0.003816 -0.002457 10.817627\nU Ni Se\n8 1 17\ndirect\n0.820351 0.305469 0.296795 U\n0.305469 0.820349 0.296795 U\n0.179650 0.694531 0.703205 U\n0.694531 0.179650 0.703205 U\n0.201216 0.201216 0.545199 U\n0.798784 0.798783 0.454801 U\n0.679835 0.679834 0.985089 U\n0.320165 0.320165 0.014911 U\n0.000000 0.000000 0.000000 Ni\n0.520593 0.520592 0.830128 Se\n0.702954 0.702953 0.243147 Se\n0.297046 0.297046 0.756853 Se\n0.947984 0.947983 0.222224 Se\n0.052016 0.052016 0.777776 Se\n0.783130 0.783128 0.722547 Se\n0.216871 0.216871 0.277453 Se\n0.564994 0.181604 0.462604 Se\n0.052547 0.676775 0.975691 Se\n0.323225 0.947452 0.024309 Se\n0.947453 0.323224 0.024309 Se\n0.479407 0.479407 0.169872 Se\n0.181604 0.564993 0.462604 Se\n0.435007 0.818395 0.537396 Se\n0.818396 0.435006 0.537396 Se\n0.676776 0.052547 0.975691 Se\n-0.000000 -0.000000 0.500000 Se\n",
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"elements": [
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{
"id": "jvasp-15366",
"created_at": "2022-09-04T14:36:46.154515Z",
"updated_at": "2022-09-04T14:36:46.154536Z",
"structure_string": "Tl1 Ni2 Se2\n1.0\n3.754526 0.000000 -1.045289\n-0.291017 3.743230 -1.045289\n-0.011482 -0.012410 7.224260\nTl Ni Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.500000 Ni\n0.750001 0.250000 0.500000 Ni\n0.647745 0.647745 0.295488 Se\n0.352256 0.352255 0.704511 Se\n",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-35458",
"created_at": "2022-09-04T14:37:34.136991Z",
"updated_at": "2022-09-04T14:37:34.137017Z",
"structure_string": "Ti2 Ni1 Se4\n1.0\n0.000000 3.581204 -0.000000\n0.000121 -0.000000 6.181261\n5.912953 -1.790603 -3.051624\nTi Ni Se\n2 1 4\ndirect\n0.251467 0.262547 0.502933 Ti\n0.748532 0.737453 0.497066 Ti\n0.000000 0.000000 0.000000 Ni\n0.116866 0.452799 0.233731 Se\n0.883134 0.547201 0.766268 Se\n0.378110 0.044983 0.756220 Se\n0.621889 0.955017 0.243779 Se\n",
"nsites": 7,
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},
{
"id": "jvasp-106016",
"created_at": "2022-09-04T14:36:08.383651Z",
"updated_at": "2022-09-04T14:36:08.383678Z",
"structure_string": "Ni1 Te1 Se1\n1.0\n3.751348 0.000000 -0.000000\n-1.875674 3.248762 0.000000\n-0.000000 -0.000000 5.075190\nNi Te Se\n1 1 1\ndirect\n0.000000 0.000000 0.013463 Ni\n0.666668 0.333333 0.741403 Te\n0.333334 0.666667 0.245134 Se\n",
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},
{
"id": "jvasp-102185",
"created_at": "2022-09-04T14:36:43.445515Z",
"updated_at": "2022-09-04T14:36:43.445542Z",
"structure_string": "Ni6 Sn1 Se2\n1.0\n3.629817 -0.018022 -9.028148\n-0.152622 3.626652 -9.028148\n0.017365 0.018022 9.730506\nNi Sn Se\n6 1 2\ndirect\n0.501387 0.501386 0.000000 Ni\n0.900022 0.400021 0.500001 Ni\n0.400022 0.900020 0.500001 Ni\n0.102144 0.602142 0.500001 Ni\n0.602144 0.102143 0.500001 Ni\n0.800773 0.800772 0.000001 Ni\n0.000522 0.000522 0.000000 Sn\n0.316308 0.316307 0.000000 Se\n0.678186 0.678185 0.000001 Se\n",
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{
"id": "jvasp-35498",
"created_at": "2022-09-04T14:37:30.646103Z",
"updated_at": "2022-09-04T14:37:30.646129Z",
"structure_string": "Si2 Ni1 Se4\n1.0\n-0.000000 3.517008 0.000000\n0.353965 0.000000 6.422996\n6.039959 -1.758503 -2.686732\nSi Ni Se\n2 1 4\ndirect\n0.266683 0.282271 0.533365 Si\n0.733318 0.717730 0.466635 Si\n0.000000 0.000000 0.000000 Ni\n0.125541 0.470521 0.251081 Se\n0.874460 0.529480 0.748919 Se\n0.378673 0.015842 0.757342 Se\n0.621329 0.984158 0.242657 Se\n",
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{
"id": "jvasp-249",
"created_at": "2022-09-04T14:36:05.454271Z",
"updated_at": "2022-09-04T14:36:05.454288Z",
"structure_string": "Ni2 Se2\n1.0\n3.678919 0.000000 0.000000\n0.000000 3.678919 0.000000\n0.000000 0.000000 5.321175\nNi Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.720467 Se\n0.000000 0.500000 0.279532 Se\n",
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}