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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4084",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4082",
"results": [
{
"id": "jvasp-14968",
"created_at": "2022-09-04T14:36:15.411771Z",
"updated_at": "2022-09-04T14:36:15.411799Z",
"structure_string": "Ti2 Si4\n1.0\n4.676382 -0.000653 -1.185266\n-2.768735 3.768641 -1.185266\n-0.003973 -0.007847 4.931802\nTi Si\n2 4\ndirect\n0.875000 0.125000 0.249999 Ti\n0.125001 0.874999 0.749999 Ti\n0.538974 0.461027 0.249999 Si\n0.211027 0.788973 0.249999 Si\n0.788974 0.211027 0.749999 Si\n0.461027 0.538973 0.749999 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Si-Ti",
"density": 3.979698899233428,
"density_atomic": 0.0691083266553077,
"volume": 86.82021820505453,
"volume_molar": 8.714059580745882,
"formula_full": "Ti2 Si4",
"formula_reduced": "TiSi2",
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"spacegroup": 70
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{
"id": "jvasp-95036",
"created_at": "2022-09-04T14:36:04.186917Z",
"updated_at": "2022-09-04T14:36:04.186944Z",
"structure_string": "Ti2 Si4\n1.0\n-3.560564 -0.000000 0.000000\n0.000000 0.000000 -3.594608\n1.780281 -6.876605 0.000000\nTi Si\n2 4\ndirect\n0.895947 0.750000 0.791895 Ti\n0.104053 0.250000 0.208106 Ti\n0.558312 0.750000 0.116625 Si\n0.441687 0.250000 0.883376 Si\n0.249839 0.750000 0.499679 Si\n0.750161 0.250000 0.500322 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
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"chemical_system": "Si-Ti",
"density": 3.925786491339663,
"density_atomic": 0.06817212610601132,
"volume": 88.01251101762145,
"volume_molar": 8.833728833152787,
"formula_full": "Ti2 Si4",
"formula_reduced": "TiSi2",
"formula_anonymous": "AB2",
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"spacegroup": 63
},
{
"id": "jvasp-110975",
"created_at": "2022-09-04T14:38:38.430729Z",
"updated_at": "2022-09-04T14:38:38.430757Z",
"structure_string": "Ti1 Si6 Mo2\n1.0\n4.706926 -0.006391 0.000000\n-2.327847 4.091006 0.000000\n0.000000 0.000000 6.503185\nTi Si Mo\n1 6 2\ndirect\n0.500000 0.500001 0.500000 Ti\n0.157145 0.842856 0.500000 Si\n0.161575 0.327023 0.168110 Si\n0.672977 0.838426 0.831891 Si\n0.842856 0.157145 0.500000 Si\n0.838425 0.672978 0.168110 Si\n0.327023 0.161576 0.831891 Si\n0.500000 0.000000 0.168225 Mo\n-0.000000 0.500001 0.831776 Mo\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Ti",
"density": 5.417862754289876,
"density_atomic": 0.07192577994996607,
"volume": 125.12898721794458,
"volume_molar": 8.372715268696702,
"formula_full": "Ti1 Si6 Mo2",
"formula_reduced": "Ti(Si3Mo)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.50789685925926,
"spacegroup": 21
},
{
"id": "jvasp-121797",
"created_at": "2022-09-04T14:38:55.386022Z",
"updated_at": "2022-09-04T14:38:55.386048Z",
"structure_string": "Ti4 Si4 Ir4\n1.0\n3.881154 0.000000 0.000000\n0.000000 6.279230 0.000000\n0.000000 0.000000 7.256737\nTi Si Ir\n4 4 4\ndirect\n0.250000 0.023255 0.820384 Ti\n0.250000 0.523255 0.679617 Ti\n0.749999 0.976745 0.179617 Ti\n0.749999 0.476745 0.320384 Ti\n0.250000 0.771217 0.376629 Si\n0.250000 0.271217 0.123371 Si\n0.749999 0.228783 0.623371 Si\n0.749999 0.728783 0.876629 Si\n0.250000 0.157419 0.437911 Ir\n0.250000 0.657419 0.062089 Ir\n0.749999 0.842581 0.562089 Ir\n0.749999 0.342581 0.937911 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Ti",
"density": 10.071863262071313,
"density_atomic": 0.06785355340629005,
"volume": 176.85146020499488,
"volume_molar": 8.875203224716815,
"formula_full": "Ti4 Si4 Ir4",
"formula_reduced": "TiSiIr",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 62
},
{
"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,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Ti",
"density": 5.598625630964418,
"density_atomic": 0.07512084279698744,
"volume": 159.74261673860286,
"volume_molar": 8.016604361421654,
"formula_full": "Ti4 Si4 Ni4",
"formula_reduced": "TiSiNi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1028397777777776,
"spacegroup": 62
},
{
"id": "jvasp-12680",
"created_at": "2022-09-04T14:36:52.325445Z",
"updated_at": "2022-09-04T14:36:52.325458Z",
"structure_string": "Ti2 Si4 O12\n1.0\n6.327398 0.018657 -1.655214\n-0.245640 6.322655 1.655214\n-0.000164 0.000158 5.354514\nTi Si O\n2 4 12\ndirect\n0.893116 0.893116 0.250000 Ti\n0.106885 0.106885 0.749999 Ti\n0.785688 0.382612 0.246804 Si\n0.617389 0.214313 0.746804 Si\n0.382612 0.785689 0.253195 Si\n0.214313 0.617389 0.753195 Si\n0.954207 0.186633 0.365390 O\n0.813369 0.045794 0.865390 O\n0.898745 0.619134 0.222070 O\n0.045794 0.813369 0.634609 O\n0.649848 0.366557 0.953125 O\n0.350154 0.633444 0.046874 O\n0.619134 0.898745 0.277929 O\n0.366557 0.649847 0.546874 O\n0.101256 0.380867 0.777929 O\n0.186632 0.954207 0.134609 O\n0.380867 0.101256 0.722070 O\n0.633444 0.350154 0.453125 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Si",
"O"
],
"chemical_system": "O-Si-Ti",
"density": 3.100959189202729,
"density_atomic": 0.08402040579701794,
"volume": 214.23367132367332,
"volume_molar": 7.167474023570756,
"formula_full": "Ti2 Si4 O12",
"formula_reduced": "Ti(SiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.89488517037037,
"spacegroup": 15
},
{
"id": "jvasp-121988",
"created_at": "2022-09-04T14:38:54.420453Z",
"updated_at": "2022-09-04T14:38:54.420480Z",
"structure_string": "Ti6 Si6 Os6\n1.0\n6.245186 -0.002975 -3.985783\n-1.574321 5.633730 -4.546583\n0.007518 0.002975 7.408695\nTi Si Os\n6 6 6\ndirect\n0.445770 0.401719 0.455950 Ti\n0.554231 0.010179 0.955949 Ti\n0.026122 0.006827 0.480705 Ti\n0.973879 0.454583 0.980706 Ti\n0.246892 0.579769 0.832878 Ti\n0.753110 0.585987 0.332879 Ti\n0.338723 0.337370 0.010805 Si\n0.661278 0.672082 0.998648 Si\n0.826566 0.337370 0.498649 Si\n0.173435 0.672082 0.510804 Si\n0.782979 0.025634 0.742656 Si\n0.217022 0.959677 0.242656 Si\n0.000000 0.255875 0.255875 Os\n0.500000 0.255875 0.755876 Os\n0.408931 0.748426 0.411988 Os\n0.591070 0.003058 0.339496 Os\n0.836439 0.748426 0.839496 Os\n0.163562 0.003057 0.911987 Os\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Os"
],
"chemical_system": "Os-Si-Ti",
"density": 10.164860936658492,
"density_atomic": 0.06899126357390574,
"volume": 260.9025993663357,
"volume_molar": 8.728845433522002,
"formula_full": "Ti6 Si6 Os6",
"formula_reduced": "TiSiOs",
"formula_anonymous": "ABC",
"energy_above_hull": 3.577950644444445,
"spacegroup": 46
},
{
"id": "jvasp-39674",
"created_at": "2022-09-04T14:37:45.191015Z",
"updated_at": "2022-09-04T14:37:45.191035Z",
"structure_string": "Ti1 Si1 Os2\n1.0\n-0.000000 3.030054 3.030054\n3.030054 -0.000000 3.030054\n3.030054 3.030054 -0.000000\nTi Si Os\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Ti\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Os\n0.499999 0.499999 0.499999 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Os"
],
"chemical_system": "Os-Si-Ti",
"density": 13.621518574656205,
"density_atomic": 0.07189172272878792,
"volume": 55.63922866461318,
"volume_molar": 8.376681669903185,
"formula_full": "Ti1 Si1 Os2",
"formula_reduced": "TiSiOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.570974233333333,
"spacegroup": 225
},
{
"id": "jvasp-40774",
"created_at": "2022-09-04T14:37:46.461721Z",
"updated_at": "2022-09-04T14:37:46.461749Z",
"structure_string": "Ti1 Si1 Pd1\n1.0\n3.600792 -0.000000 2.078919\n1.200264 3.394860 2.078919\n-0.000000 -0.000000 4.157836\nTi Si Pd\n1 1 1\ndirect\n0.499999 0.500000 0.500001 Ti\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250001 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Ti",
"density": 5.958283858247206,
"density_atomic": 0.0590247281165754,
"volume": 50.82615533738539,
"volume_molar": 10.202742057712005,
"formula_full": "Ti1 Si1 Pd1",
"formula_reduced": "TiSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3452808777777783,
"spacegroup": 216
},
{
"id": "jvasp-40819",
"created_at": "2022-09-04T14:37:42.071123Z",
"updated_at": "2022-09-04T14:37:42.071134Z",
"structure_string": "Ti1 Si1 Pt1\n1.0\n3.615805 0.000000 2.087587\n1.205269 3.409015 2.087587\n0.000000 0.000000 4.175172\nTi Si Pt\n1 1 1\ndirect\n0.500001 0.499999 0.500000 Ti\n0.000000 0.000000 0.000000 Si\n0.250001 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Ti",
"density": 8.74517678937206,
"density_atomic": 0.058292538770479116,
"volume": 51.464562417022044,
"volume_molar": 10.330894634237085,
"formula_full": "Ti1 Si1 Pt1",
"formula_reduced": "TiSiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.530356111111111,
"spacegroup": 216
},
{
"id": "jvasp-53306",
"created_at": "2022-09-04T14:36:31.220811Z",
"updated_at": "2022-09-04T14:36:31.220844Z",
"structure_string": "Ti4 Si4 Rh4\n1.0\n3.838498 -0.000000 0.000000\n-0.000000 6.284155 0.000000\n0.000000 0.000000 7.279247\nTi Si Rh\n4 4 4\ndirect\n0.750000 0.524265 0.316742 Ti\n0.750000 0.024265 0.183258 Ti\n0.250000 0.975734 0.816742 Ti\n0.250000 0.475734 0.683259 Ti\n0.250000 0.732136 0.120516 Si\n0.750000 0.267863 0.879484 Si\n0.250000 0.232136 0.379484 Si\n0.750000 0.767863 0.620516 Si\n0.750000 0.652663 0.935622 Rh\n0.250000 0.847336 0.435622 Rh\n0.750000 0.152663 0.564379 Rh\n0.250000 0.347337 0.064378 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Si",
"Rh"
],
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"density": 6.765856706472435,
"density_atomic": 0.06834182669343432,
"volume": 175.5879317336546,
"volume_molar": 8.811793672144491,
"formula_full": "Ti4 Si4 Rh4",
"formula_reduced": "TiSiRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.613659977777778,
"spacegroup": 62
},
{
"id": "jvasp-21703",
"created_at": "2022-09-04T14:38:36.415878Z",
"updated_at": "2022-09-04T14:38:36.415898Z",
"structure_string": "Ti6 Si6 Ru6\n1.0\n5.840039 0.000000 -2.859786\n-1.662578 6.014109 -3.395191\n0.000875 -0.020359 7.394721\nTi Si Ru\n6 6 6\ndirect\n0.045061 0.026068 0.552133 Ti\n0.100732 0.554671 0.609341 Ti\n0.920617 0.753351 0.006703 Ti\n0.491391 0.445329 0.390659 Ti\n0.492926 0.973932 0.447866 Ti\n0.913913 0.246649 0.993296 Ti\n0.538638 0.781865 0.063729 Si\n0.474908 0.218135 0.936270 Si\n0.827412 0.338705 0.664996 Si\n0.162415 0.661294 0.335003 Si\n0.162415 0.173708 0.335002 Si\n0.827412 0.826292 0.664997 Si\n0.496880 0.408910 0.746913 Ru\n0.245327 0.500000 -0.000000 Ru\n0.245328 -0.000000 -0.000000 Ru\n0.496881 0.838000 0.746913 Ru\n0.749967 0.591090 0.253086 Ru\n0.749968 0.162000 0.253086 Ru\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Si",
"Ru"
],
"chemical_system": "Ru-Si-Ti",
"density": 6.8035009997627665,
"density_atomic": 0.06943463236966663,
"volume": 259.2366285482563,
"volume_molar": 8.673108151474633,
"formula_full": "Ti6 Si6 Ru6",
"formula_reduced": "TiSiRu",
"formula_anonymous": "ABC",
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"spacegroup": 46
}
]
}