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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1139",
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{
"id": "jvasp-95041",
"created_at": "2022-09-04T14:36:21.922537Z",
"updated_at": "2022-09-04T14:36:21.922563Z",
"structure_string": "Si2 Ni2 Sb2\n1.0\n4.075440 -0.000000 -0.000000\n0.000000 4.075440 -0.000000\n-0.000000 -0.000000 6.548671\nSi Ni Sb\n2 2 2\ndirect\n0.750000 0.750000 0.800743 Si\n0.250000 0.250000 0.199257 Si\n0.750000 0.250000 0.000000 Ni\n0.250000 0.750000 0.000000 Ni\n0.750000 0.750000 0.303694 Sb\n0.250000 0.250000 0.696305 Sb\n",
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{
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"structure_string": "Si2 Ni4 O8\n1.0\n4.965076 0.000000 2.866588\n1.655025 4.681119 2.866588\n0.000000 0.000000 5.733176\nSi Ni O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Si\n0.875001 0.875000 0.875000 Si\n0.500001 0.500001 0.500000 Ni\n0.500001 0.500001 1.000000 Ni\n0.000000 0.500001 0.499999 Ni\n0.500000 -0.000000 0.500000 Ni\n0.755864 0.755863 0.755863 O\n0.244137 0.244137 0.767590 O\n0.244138 0.767589 0.244137 O\n0.767589 0.244137 0.244137 O\n0.755864 0.232411 0.755865 O\n0.232413 0.755863 0.755863 O\n0.244137 0.244137 0.244137 O\n0.755864 0.755863 0.232411 O\n",
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{
"id": "jvasp-117236",
"created_at": "2022-09-04T14:38:49.319422Z",
"updated_at": "2022-09-04T14:38:49.319443Z",
"structure_string": "Si4 Ni4 N8\n1.0\n5.151596 -0.000000 0.000000\n0.000000 6.305590 0.000000\n0.000000 -0.000000 4.960361\nSi Ni N\n4 4 8\ndirect\n0.573796 0.375680 0.005568 Si\n0.426204 0.624320 0.505568 Si\n0.926205 0.875680 0.505568 Si\n0.073796 0.124320 0.005568 Si\n0.570239 0.876379 0.001676 Ni\n0.429761 0.123621 0.501676 Ni\n0.929762 0.376379 0.501676 Ni\n0.070239 0.623621 0.001676 Ni\n0.560212 0.400006 0.356978 N\n0.439789 0.599994 0.856978 N\n0.939789 0.900006 0.856978 N\n0.060211 0.099994 0.356978 N\n0.602886 0.847851 0.405777 N\n0.397114 0.152149 0.905777 N\n0.897115 0.347851 0.905777 N\n0.102886 0.652149 0.405777 N\n",
"nsites": 16,
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"N"
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"density": 4.7319596861187465,
"density_atomic": 0.09929769613571746,
"volume": 161.13163368998636,
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"formula_full": "Si4 Ni4 N8",
"formula_reduced": "SiNiN2",
"formula_anonymous": "ABC2",
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"spacegroup": 33
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{
"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",
"nsites": 4,
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"elements": [
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"chemical_system": "Ni-Si",
"density": 7.81138398766773,
"density_atomic": 0.09216289302346403,
"volume": 43.40141535033658,
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"formula_full": "Si1 Ni3",
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"spacegroup": 221
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{
"id": "jvasp-96829",
"created_at": "2022-09-04T14:36:30.979523Z",
"updated_at": "2022-09-04T14:36:30.979564Z",
"structure_string": "Si2 Ni4 P8 O28\n1.0\n4.884937 0.000000 0.000000\n-2.442468 8.231611 -2.030851\n0.000000 -0.036934 12.255196\nSi Ni P O\n2 4 8 28\ndirect\n0.671047 0.000000 0.750000 Si\n0.328954 0.000000 0.250000 Si\n0.400123 0.504594 0.370744 Ni\n0.895529 0.495406 0.129257 Ni\n0.104471 0.504595 0.870744 Ni\n0.599877 0.495406 0.629257 Ni\n0.002119 0.251797 0.634659 P\n0.805848 0.274047 0.414508 P\n-0.002119 0.748204 0.365341 P\n0.531800 0.725953 0.085492 P\n0.249678 0.251797 0.134659 P\n0.468201 0.274048 0.914508 P\n0.750322 0.748204 0.865341 P\n0.194153 0.725953 0.585492 P\n0.909829 0.694622 0.634941 O\n0.685824 0.714801 0.382439 O\n0.733983 0.416621 0.955542 O\n0.184905 0.809874 0.483495 O\n0.784794 0.694622 0.134941 O\n0.317362 0.583380 0.544459 O\n0.897985 0.389339 0.706425 O\n0.458012 0.867773 0.170100 O\n0.818373 0.912432 0.826257 O\n0.375031 0.190126 0.016506 O\n0.682638 0.416621 0.455542 O\n0.491354 0.389339 0.206425 O\n0.314176 0.285200 0.617562 O\n0.094059 0.912431 0.326257 O\n0.215206 0.305378 0.865060 O\n0.624969 0.809874 0.983495 O\n0.508646 0.610661 0.793575 O\n0.541989 0.132228 0.829900 O\n0.102015 0.610661 0.293575 O\n0.409761 0.867773 0.670100 O\n0.590240 0.132227 0.329900 O\n0.028977 0.714801 0.882439 O\n0.971024 0.285199 0.117561 O\n0.181628 0.087569 0.173743 O\n0.815096 0.190127 0.516506 O\n0.905942 0.087569 0.673743 O\n0.090172 0.305378 0.365060 O\n0.266017 0.583379 0.044459 O\n",
"nsites": 42,
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"elements": [
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"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P-Si",
"density": 3.3273697716336055,
"density_atomic": 0.08529199145643088,
"volume": 492.4260681784476,
"volume_molar": 7.060616896342783,
"formula_full": "Si2 Ni4 P8 O28",
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"spacegroup": 15
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{
"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,
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"elements": [
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"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",
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"spacegroup": 62
},
{
"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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"formula_full": "Si2 Ni4",
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"spacegroup": 194
},
{
"id": "jvasp-86336",
"created_at": "2022-09-04T14:36:11.821853Z",
"updated_at": "2022-09-04T14:36:11.821873Z",
"structure_string": "Si4 Ni8\n1.0\n3.733554 0.000000 0.000000\n-0.000000 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",
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"formula_full": "Si4 Ni8",
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},
{
"id": "jvasp-37092",
"created_at": "2022-09-04T14:38:05.025199Z",
"updated_at": "2022-09-04T14:38:05.025224Z",
"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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"formula_full": "Si2 Ni2",
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},
{
"id": "jvasp-90627",
"created_at": "2022-09-04T14:35:46.331693Z",
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"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",
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},
{
"id": "jvasp-14672",
"created_at": "2022-09-04T14:36:31.916812Z",
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"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",
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},
{
"id": "jvasp-90164",
"created_at": "2022-09-04T14:35:58.880171Z",
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"structure_string": "Si1 N2 F6\n1.0\n0.188218 0.108668 -4.858741\n-2.699459 -4.534718 0.210681\n-2.577453 4.464277 0.000000\nSi N F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.689103 0.465659 0.732830 N\n0.310897 0.534340 0.267170 N\n0.259015 0.790427 0.895214 F\n0.172366 0.230266 0.884750 F\n0.172366 0.230267 0.345517 F\n0.740985 0.209572 0.104786 F\n0.827634 0.769733 0.115250 F\n0.827634 0.769733 0.654483 F\n",
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"volume": 115.1063716830845,
"volume_molar": 7.702075251649033,
"formula_full": "Si1 N2 F6",
"formula_reduced": "Si(NF3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.5697674216666664,
"spacegroup": 12
}
]
}