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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=489",
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"results": [
{
"id": "jvasp-112568",
"created_at": "2022-09-04T14:38:41.500361Z",
"updated_at": "2022-09-04T14:38:41.500382Z",
"structure_string": "Tm6 Si6 Ni2\n1.0\n5.198519 -0.011168 1.789154\n3.553730 3.794170 1.789154\n-0.033599 -0.014523 13.371922\nTm Si Ni\n6 6 2\ndirect\n0.468803 0.468803 0.380467 Tm\n0.531197 0.531197 0.619532 Tm\n0.601139 0.601138 0.078756 Tm\n0.398861 0.398862 0.921243 Tm\n0.252170 0.252170 0.227484 Tm\n0.747830 0.747830 0.772515 Tm\n0.954991 0.954990 0.235888 Si\n0.045009 0.045010 0.764111 Si\n0.883289 0.883288 0.075845 Si\n0.116711 0.116712 0.924154 Si\n0.863183 0.863183 0.543244 Si\n0.136816 0.136817 0.456755 Si\n0.751167 0.751166 0.400358 Ni\n0.248833 0.248834 0.599642 Ni\n",
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{
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"structure_string": "Tm2 Si4 Ni2\n1.0\n3.929903 -0.000000 -0.000000\n-0.000000 0.000000 3.941652\n-1.964951 -8.285161 -0.000000\nTm Si Ni\n2 4 2\ndirect\n0.604969 0.250000 0.209937 Tm\n0.395031 0.750000 0.790063 Tm\n0.960100 0.250000 0.920200 Si\n0.039899 0.750000 0.079800 Si\n0.249562 0.250000 0.499126 Si\n0.750437 0.750000 0.500874 Si\n0.824335 0.250000 0.648671 Ni\n0.175664 0.750000 0.351328 Ni\n",
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{
"id": "jvasp-51289",
"created_at": "2022-09-04T14:37:02.953894Z",
"updated_at": "2022-09-04T14:37:02.953913Z",
"structure_string": "Tl2 Si1 Ni1\n1.0\n0.000000 3.461219 3.461219\n3.461219 0.000000 3.461219\n3.461219 3.461219 -0.000000\nTl Si Ni\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Ni\n",
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"elements": [
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"density": 9.922369627560977,
"density_atomic": 0.048232831568903886,
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"formula_full": "Tl2 Si1 Ni1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-26997",
"created_at": "2022-09-04T14:38:19.609250Z",
"updated_at": "2022-09-04T14:38:19.609277Z",
"structure_string": "Ti4 Si4 Ni4\n1.0\n3.674759 -0.000000 0.000000\n-0.000000 6.175545 0.000000\n0.000000 0.000000 7.039092\nTi Si Ni\n4 4 4\ndirect\n0.750000 0.977116 0.818273 Ti\n0.250000 0.022883 0.181727 Ti\n0.750000 0.477116 0.681727 Ti\n0.250000 0.522883 0.318273 Ti\n0.750000 0.234666 0.378802 Si\n0.250000 0.765333 0.621198 Si\n0.750000 0.734666 0.121198 Si\n0.250000 0.265334 0.878802 Si\n0.750000 0.858410 0.438987 Ni\n0.250000 0.141589 0.561012 Ni\n0.750000 0.358411 0.061013 Ni\n0.250000 0.641588 0.938987 Ni\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Ni-Si-Ti",
"density": 5.598625630964418,
"density_atomic": 0.07512084279698744,
"volume": 159.74261673860286,
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"formula_full": "Ti4 Si4 Ni4",
"formula_reduced": "TiSiNi",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-98990",
"created_at": "2022-09-04T14:35:56.248150Z",
"updated_at": "2022-09-04T14:35:56.248176Z",
"structure_string": "Ti8 Si14 Ni8\n1.0\n4.797573 -0.000007 1.336673\n2.398778 8.930420 0.668319\n0.001911 -0.000018 9.271093\nTi Si Ni\n8 14 8\ndirect\n0.310245 0.189756 0.189756 Ti\n0.500000 0.810242 0.189758 Ti\n0.865959 0.268086 -0.000001 Ti\n0.134041 0.731914 0.000001 Ti\n0.865959 -0.000001 0.268086 Ti\n0.689755 0.810244 0.810244 Ti\n0.500000 0.189757 0.810242 Ti\n0.134041 0.000001 0.731913 Ti\n0.714072 0.285935 0.285935 Si\n0.906413 0.593579 0.593580 Si\n0.500000 0.406420 0.593580 Si\n0.750857 -0.000000 -0.000000 Si\n0.093587 0.406420 0.406420 Si\n0.285928 0.714065 0.714065 Si\n0.500000 0.593580 0.406420 Si\n0.296222 0.407559 -0.000002 Si\n0.703778 0.592441 0.000001 Si\n0.703778 0.000001 0.592440 Si\n0.000000 0.285938 0.714062 Si\n0.000000 0.714062 0.285938 Si\n0.249143 -0.000000 -0.000000 Si\n0.296222 -0.000002 0.407559 Si\n0.398709 0.499992 0.202642 Ni\n0.101292 0.797358 0.500005 Ni\n0.398709 0.202642 0.499992 Ni\n0.601291 0.500007 0.797358 Ni\n0.101292 0.500005 0.797358 Ni\n0.898708 0.202641 0.499994 Ni\n0.601291 0.797358 0.500007 Ni\n0.898708 0.499994 0.202642 Ni\n",
"nsites": 30,
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"elements": [
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"chemical_system": "Ni-Si-Ti",
"density": 5.207820621888525,
"density_atomic": 0.07553037011108038,
"volume": 397.19122196647317,
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"formula_full": "Ti8 Si14 Ni8",
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"formula_anonymous": "A4B4C7",
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{
"id": "jvasp-15621",
"created_at": "2022-09-04T14:36:42.805686Z",
"updated_at": "2022-09-04T14:36:42.805715Z",
"structure_string": "Th1 Si2 Ni2\n1.0\n3.826021 -0.000000 -1.502146\n-0.589762 3.780293 -1.502146\n-0.011164 -0.013040 5.595145\nTh Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630521 0.630520 0.261041 Si\n0.369480 0.369479 0.738959 Si\n0.750000 0.250000 0.500000 Ni\n0.250001 0.750000 0.500000 Ni\n",
"nsites": 5,
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"elements": [
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"density": 8.338032998566657,
"density_atomic": 0.061900050454466865,
"volume": 80.77537842522368,
"volume_molar": 9.728813976379282,
"formula_full": "Th1 Si2 Ni2",
"formula_reduced": "Th(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.33243352,
"spacegroup": 139
},
{
"id": "jvasp-94302",
"created_at": "2022-09-04T14:36:01.928515Z",
"updated_at": "2022-09-04T14:36:01.928549Z",
"structure_string": "Th2 Si2 Ni2\n1.0\n4.097769 0.000000 0.000000\n0.000000 4.097769 0.000000\n-2.048885 -2.048885 7.045582\nTh Si Ni\n2 2 2\ndirect\n0.248797 0.748797 0.497595 Th\n0.998798 0.998798 0.997594 Th\n0.668157 0.168157 0.336312 Si\n0.418157 0.418157 0.836312 Si\n0.837048 0.337048 0.674094 Ni\n0.587047 0.587047 0.174094 Ni\n",
"nsites": 6,
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"elements": [
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"density_atomic": 0.05071535049903977,
"volume": 118.3073752021807,
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"formula_full": "Th2 Si2 Ni2",
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"formula_anonymous": "ABC",
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"spacegroup": 109
},
{
"id": "jvasp-15388",
"created_at": "2022-09-04T14:37:03.796006Z",
"updated_at": "2022-09-04T14:37:03.796024Z",
"structure_string": "Tb1 Si2 Ni2\n1.0\n3.729464 -0.000000 -1.429177\n-0.547679 3.689031 -1.429177\n-0.015404 -0.017859 5.540443\nTb Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.627480 0.627480 0.254961 Si\n0.372520 0.372519 0.745037 Si\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-93723",
"created_at": "2022-09-04T14:36:18.193748Z",
"updated_at": "2022-09-04T14:36:18.193764Z",
"structure_string": "Tb1 Si1 Ni4\n1.0\n0.000000 0.000000 -3.962661\n-2.539828 -4.084726 0.000000\n-2.539828 4.084726 0.000000\nTb Si Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Si\n0.000000 0.341223 0.658778 Ni\n0.000000 0.658778 0.341223 Ni\n0.500000 -0.000000 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n",
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"spacegroup": 65
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{
"id": "jvasp-86483",
"created_at": "2022-09-04T14:35:57.287189Z",
"updated_at": "2022-09-04T14:35:57.287208Z",
"structure_string": "Tb2 Si4 Ni2\n1.0\n3.998293 0.000000 0.000000\n-0.000000 3.911753 -0.954028\n-0.000000 -0.005827 8.472714\nTb Si Ni\n2 4 2\ndirect\n0.250000 0.894449 0.788900 Tb\n0.750000 0.105549 0.211099 Tb\n0.250000 0.250030 0.500061 Si\n0.750000 0.749968 0.499938 Si\n0.250000 0.540341 0.080683 Si\n0.750000 0.459657 0.919316 Si\n0.250000 0.678346 0.356693 Ni\n0.750000 0.321652 0.643306 Ni\n",
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"formula_full": "Tb2 Si4 Ni2",
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"spacegroup": 63
},
{
"id": "jvasp-116589",
"created_at": "2022-09-04T14:38:44.115406Z",
"updated_at": "2022-09-04T14:38:44.115436Z",
"structure_string": "Ta4 Si4 Ni4\n1.0\n3.687212 0.000000 0.000000\n0.000000 6.225548 0.000000\n0.000000 -0.000000 7.075535\nTa Si Ni\n4 4 4\ndirect\n0.250000 0.517595 0.175020 Ta\n0.750000 0.482405 0.824979 Ta\n0.750000 0.982405 0.675020 Ta\n0.250000 0.017595 0.324980 Ta\n0.250000 0.782130 0.883917 Si\n0.750000 0.217871 0.116083 Si\n0.750000 0.717871 0.383917 Si\n0.250000 0.282130 0.616082 Si\n0.250000 0.655806 0.570221 Ni\n0.750000 0.344194 0.429779 Ni\n0.750000 0.844194 0.070221 Ni\n0.250000 0.155806 0.929778 Ni\n",
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"formula_full": "Ta4 Si4 Ni4",
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{
"id": "jvasp-21001",
"created_at": "2022-09-04T14:37:42.136120Z",
"updated_at": "2022-09-04T14:37:42.136144Z",
"structure_string": "Ta6 Si7 Ni16\n1.0\n6.900336 -0.000000 3.983910\n2.300112 6.505699 3.983910\n-0.000000 -0.000000 7.967821\nTa Si Ni\n6 7 16\ndirect\n0.797872 0.202128 0.202128 Ta\n0.202128 0.202128 0.797872 Ta\n0.797872 0.202128 0.797872 Ta\n0.202128 0.797872 0.202128 Ta\n0.202128 0.797872 0.797872 Ta\n0.797872 0.797872 0.202128 Ta\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.833401 0.833401 0.499798 Ni\n0.166599 0.166599 0.166599 Ni\n0.616634 0.616634 0.616633 Ni\n0.383366 0.383366 0.849900 Ni\n0.383366 0.849900 0.383366 Ni\n0.616634 0.150100 0.616633 Ni\n0.150100 0.616634 0.616634 Ni\n0.616634 0.616634 0.150100 Ni\n0.833401 0.833401 0.833400 Ni\n0.166599 0.166599 0.500201 Ni\n0.166599 0.500201 0.166599 Ni\n0.500202 0.166599 0.166599 Ni\n0.833401 0.499799 0.833400 Ni\n0.499799 0.833401 0.833401 Ni\n0.849900 0.383366 0.383366 Ni\n0.383366 0.383366 0.383366 Ni\n",
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"volume": 357.68750825032265,
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"formula_full": "Ta6 Si7 Ni16",
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}
]
}