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{
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{
"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",
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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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{
"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",
"nsites": 26,
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"elements": [
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"Se"
],
"chemical_system": "Ni-Se-U",
"density": 8.543187814291894,
"density_atomic": 0.040470688207525106,
"volume": 642.4402734808342,
"volume_molar": 14.880252910747995,
"formula_full": "U8 Ni1 Se17",
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"formula_anonymous": "AB8C17",
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"spacegroup": 12
},
{
"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,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ni-Se-V",
"density": 6.49794361784644,
"density_atomic": 0.057496072325630594,
"volume": 121.74744668392837,
"volume_molar": 10.474003730017316,
"formula_full": "V2 Ni1 Se4",
"formula_reduced": "V2NiSe4",
"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",
"nsites": 7,
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"elements": [
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"density": 6.087385960708719,
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"volume": 129.95858144615295,
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"formula_full": "V2 Ni1 Se4",
"formula_reduced": "V2NiSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.419906323809524,
"spacegroup": 164
},
{
"id": "jvasp-85837",
"created_at": "2022-09-04T14:35:46.651826Z",
"updated_at": "2022-09-04T14:35:46.651854Z",
"structure_string": "Si4 Ni8\n1.0\n3.733554 -0.000000 0.000000\n0.000000 5.084831 0.000000\n0.000000 0.000000 7.074520\nSi Ni\n4 8\ndirect\n0.250000 0.782483 0.115162 Si\n0.749999 0.217517 0.884838 Si\n0.250000 0.282483 0.384838 Si\n0.749999 0.717516 0.615162 Si\n0.250000 0.960440 0.798882 Ni\n0.749999 0.039560 0.201118 Ni\n0.250000 0.460440 0.701118 Ni\n0.749999 0.539560 0.298882 Ni\n0.250000 0.832515 0.439439 Ni\n0.749999 0.167485 0.560561 Ni\n0.250000 0.332515 0.060561 Ni\n0.749999 0.667484 0.939439 Ni\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"Ni"
],
"chemical_system": "Ni-Si",
"density": 7.194381358419409,
"density_atomic": 0.08934809699817921,
"volume": 134.30616211383375,
"volume_molar": 6.740088443207383,
"formula_full": "Si4 Ni8",
"formula_reduced": "SiNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.381861133333333,
"spacegroup": 62
},
{
"id": "jvasp-90627",
"created_at": "2022-09-04T14:35:46.331693Z",
"updated_at": "2022-09-04T14:35:46.331727Z",
"structure_string": "Si4 Ni4\n1.0\n4.539732 -0.000000 -0.000000\n-0.000000 4.539732 -0.000000\n0.000000 -0.000000 4.539732\nSi Ni\n4 4\ndirect\n0.654191 0.154191 0.345809 Si\n0.154191 0.345809 0.654191 Si\n0.345809 0.654191 0.154191 Si\n0.845809 0.845809 0.845809 Si\n0.351072 0.851072 0.648928 Ni\n0.851072 0.648928 0.351072 Ni\n0.648928 0.351072 0.851072 Ni\n0.148928 0.148928 0.148928 Ni\n",
"nsites": 8,
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"elements": [
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"density": 6.160735783737197,
"density_atomic": 0.0855065415386818,
"volume": 93.56009325182363,
"volume_molar": 7.042900638515101,
"formula_full": "Si4 Ni4",
"formula_reduced": "SiNi",
"formula_anonymous": "AB",
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"spacegroup": 198
},
{
"id": "jvasp-14749",
"created_at": "2022-09-04T14:36:43.713353Z",
"updated_at": "2022-09-04T14:36:43.713382Z",
"structure_string": "Si2 Ni4\n1.0\n1.961216 -3.396925 0.000000\n1.961216 3.396925 0.000000\n0.000000 -0.000000 5.019592\nSi Ni\n2 4\ndirect\n0.666668 0.333334 0.750000 Si\n0.333334 0.666668 0.250000 Si\n0.333334 0.666668 0.750000 Ni\n0.666668 0.333334 0.250000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
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"elements": [
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"density": 7.223531956100278,
"density_atomic": 0.08971012262615029,
"volume": 66.8820844778448,
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"formula_full": "Si2 Ni4",
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"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-14672",
"created_at": "2022-09-04T14:36:31.916812Z",
"updated_at": "2022-09-04T14:36:31.916843Z",
"structure_string": "Si4 Ni4\n1.0\n3.371982 -0.000000 0.000000\n-0.000000 5.209392 0.000000\n0.000000 0.000000 5.663501\nSi Ni\n4 4\ndirect\n0.750000 0.817904 0.582946 Si\n0.250000 0.182095 0.417054 Si\n0.750000 0.317905 0.917054 Si\n0.250000 0.682095 0.082946 Si\n0.250000 0.506773 0.690317 Ni\n0.750000 0.493226 0.309683 Ni\n0.250000 0.006774 0.809683 Ni\n0.750000 0.993226 0.190317 Ni\n",
"nsites": 8,
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},
{
"id": "jvasp-20751",
"created_at": "2022-09-04T14:37:36.978314Z",
"updated_at": "2022-09-04T14:37:36.978334Z",
"structure_string": "Si2 Ni1\n1.0\n3.352918 0.000000 1.935809\n1.117639 3.161162 1.935809\n-0.000000 -0.000000 3.871617\nSi Ni\n2 1\ndirect\n0.750001 0.749999 0.750001 Si\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Ni\n",
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"spacegroup": 225
},
{
"id": "jvasp-19853",
"created_at": "2022-09-04T14:36:56.911168Z",
"updated_at": "2022-09-04T14:36:56.911193Z",
"structure_string": "Si1 Ni3\n1.0\n3.514266 -0.000000 0.000000\n0.000000 3.514266 0.000000\n-0.000000 0.000000 3.514266\nSi Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.500001 0.500001 Ni\n0.500001 0.500001 0.000000 Ni\n0.500001 0.000000 0.500001 Ni\n",
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"spacegroup": 221
},
{
"id": "jvasp-20658",
"created_at": "2022-09-04T14:38:10.450564Z",
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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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}