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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3424",
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"results": [
{
"id": "jvasp-16870",
"created_at": "2022-09-04T14:38:33.232571Z",
"updated_at": "2022-09-04T14:38:33.232587Z",
"structure_string": "Ho2 Si2\n1.0\n3.828351 -0.000000 -0.000000\n0.000000 3.947407 -1.594161\n0.000000 -0.009923 5.659727\nHo Si\n2 2\ndirect\n0.250000 0.859510 0.719019 Ho\n0.750000 0.140492 0.280983 Ho\n0.250000 0.578145 0.156290 Si\n0.750000 0.421856 0.843711 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
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],
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"density": 7.499986368374194,
"density_atomic": 0.046800281576959875,
"volume": 85.46957123371732,
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"formula_full": "Ho2 Si2",
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{
"id": "jvasp-93813",
"created_at": "2022-09-04T14:36:38.301587Z",
"updated_at": "2022-09-04T14:36:38.301616Z",
"structure_string": "Ho2 Si4\n1.0\n0.000000 -3.911892 0.000000\n-3.912245 0.000000 0.000000\n1.956123 1.955947 -7.565894\nHo Si\n2 4\ndirect\n0.625013 0.375015 0.750029 Ho\n0.374985 0.624986 0.249971 Ho\n0.044302 0.794304 0.588606 Si\n0.955696 0.205698 0.411393 Si\n0.205689 0.955692 0.911380 Si\n0.794309 0.044310 0.088620 Si\n",
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"elements": [
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"formula_full": "Ho2 Si4",
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"spacegroup": 141
},
{
"id": "jvasp-16871",
"created_at": "2022-09-04T14:38:32.710101Z",
"updated_at": "2022-09-04T14:38:32.710124Z",
"structure_string": "Ho4 Si4\n1.0\n3.824988 0.000000 0.000000\n0.000000 5.667837 0.000000\n0.000000 0.000000 7.877294\nHo Si\n4 4\ndirect\n0.250000 0.114682 0.820885 Ho\n0.750000 0.885318 0.179115 Ho\n0.750000 0.614682 0.679115 Ho\n0.250000 0.385318 0.320885 Ho\n0.250000 0.632020 0.960895 Si\n0.750000 0.367981 0.039104 Si\n0.750000 0.132020 0.539104 Si\n0.250000 0.867981 0.460895 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
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"density_atomic": 0.04684524377665563,
"volume": 170.7750745869026,
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"formula_full": "Ho4 Si4",
"formula_reduced": "HoSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.106367083333333,
"spacegroup": 62
},
{
"id": "jvasp-21867",
"created_at": "2022-09-04T14:37:35.701757Z",
"updated_at": "2022-09-04T14:37:35.701777Z",
"structure_string": "Ho10 Si6\n1.0\n4.194971 -7.265904 -0.000000\n4.194971 7.265904 0.000000\n0.000000 -0.000000 6.302279\nHo Si\n10 6\ndirect\n0.000000 0.757442 0.750000 Ho\n0.000000 0.242557 0.250000 Ho\n0.757442 0.757442 0.250000 Ho\n0.757442 0.000000 0.750000 Ho\n0.242557 0.242557 0.750000 Ho\n0.242557 0.000000 0.250000 Ho\n0.333333 0.666667 0.500000 Ho\n0.666667 0.333333 0.000000 Ho\n0.666667 0.333333 0.500000 Ho\n0.333333 0.666667 0.000000 Ho\n0.394211 0.000000 0.750000 Si\n0.394211 0.394211 0.250000 Si\n0.000000 0.605789 0.250000 Si\n0.000000 0.394211 0.750000 Si\n0.605789 0.605789 0.750000 Si\n0.605789 0.000000 0.250000 Si\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ho-Si",
"density": 7.856928980282885,
"density_atomic": 0.041646043006493653,
"volume": 384.1901617761189,
"volume_molar": 14.460295205143497,
"formula_full": "Ho10 Si6",
"formula_reduced": "Ho5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 2.3009992041666663,
"spacegroup": 193
},
{
"id": "jvasp-19959",
"created_at": "2022-09-04T14:37:33.697796Z",
"updated_at": "2022-09-04T14:37:33.697818Z",
"structure_string": "Ho1 Si2\n1.0\n2.059960 -3.567956 0.000000\n2.059960 3.567956 -0.000000\n0.000000 0.000000 3.906021\nHo Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ho",
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],
"chemical_system": "Ho-Si",
"density": 6.39436740110284,
"density_atomic": 0.052249051123581004,
"volume": 57.417310658988065,
"volume_molar": 11.525837561635816,
"formula_full": "Ho1 Si2",
"formula_reduced": "HoSi2",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-96931",
"created_at": "2022-09-04T14:35:51.879250Z",
"updated_at": "2022-09-04T14:35:51.879276Z",
"structure_string": "Ho20 Si16\n1.0\n7.371981 0.000000 0.000000\n0.000000 7.667785 0.000000\n0.000000 0.000000 14.486083\nHo Si\n20 16\ndirect\n0.652681 0.988434 0.750000 Ho\n0.678714 0.821035 0.376754 Ho\n0.178714 0.678964 0.123245 Ho\n0.321286 0.178964 0.876754 Ho\n0.321286 0.178964 0.623245 Ho\n0.821286 0.321036 0.876754 Ho\n0.178714 0.678964 0.376754 Ho\n0.678714 0.821035 0.123245 Ho\n0.976574 0.817866 0.597389 Ho\n0.476574 0.682133 0.902611 Ho\n0.821286 0.321036 0.623245 Ho\n0.023426 0.182134 0.097389 Ho\n0.023426 0.182134 0.402611 Ho\n0.523426 0.317866 0.097389 Ho\n0.476574 0.682133 0.597389 Ho\n0.976574 0.817866 0.902611 Ho\n0.347318 0.011565 0.250000 Ho\n0.847318 0.488434 0.250000 Ho\n0.152682 0.511565 0.750000 Ho\n0.523426 0.317866 0.402611 Ho\n0.652364 0.029478 0.539589 Si\n0.152364 0.470522 0.960411 Si\n0.152364 0.470522 0.539589 Si\n0.652364 0.029478 0.960411 Si\n0.347636 0.970522 0.460411 Si\n0.847636 0.529478 0.039589 Si\n0.975391 0.895898 0.250000 Si\n0.228004 0.370355 0.250000 Si\n0.524608 0.395898 0.750000 Si\n0.024608 0.104102 0.750000 Si\n0.728004 0.129645 0.250000 Si\n0.271996 0.870354 0.750000 Si\n0.771996 0.629645 0.750000 Si\n0.347636 0.970522 0.039589 Si\n0.475391 0.604102 0.250000 Si\n0.847636 0.529478 0.460411 Si\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ho",
"Si"
],
"chemical_system": "Ho-Si",
"density": 7.6004728122366485,
"density_atomic": 0.04396402005338532,
"volume": 818.8514143221059,
"volume_molar": 13.69788466270223,
"formula_full": "Ho20 Si16",
"formula_reduced": "Ho5Si4",
"formula_anonymous": "A4B5",
"energy_above_hull": 2.485695803703704,
"spacegroup": 62
},
{
"id": "jvasp-101373",
"created_at": "2022-09-04T14:36:33.693391Z",
"updated_at": "2022-09-04T14:36:33.693415Z",
"structure_string": "Ho10 Si17\n1.0\n6.382073 -0.000000 -2.038943\n-0.992064 7.567335 -3.105250\n-0.005006 0.024101 10.992032\nHo Si\n10 17\ndirect\n0.564147 0.051937 0.600033 Ho\n0.761101 0.755203 0.000000 Ho\n0.564147 0.548095 0.600033 Ho\n0.368423 0.847962 0.200757 Ho\n0.964115 0.948062 0.399967 Ho\n0.761101 0.244796 0.000000 Ho\n0.964115 0.451904 0.399967 Ho\n0.167665 0.152038 0.799243 Ho\n0.368422 0.352794 0.200757 Ho\n0.167665 0.647205 0.799243 Ho\n0.431330 -0.000000 0.000000 Si\n0.242353 0.284670 0.569340 Si\n0.388268 0.500000 0.000000 Si\n0.080073 -0.000000 0.000000 Si\n0.702384 0.600277 0.200554 Si\n0.673013 0.715330 0.430660 Si\n0.296717 0.699542 0.399084 Si\n0.897632 0.300457 0.600915 Si\n0.714860 0.104407 0.208813 Si\n0.845377 0.878217 0.756436 Si\n0.501830 0.399723 0.799446 Si\n0.039462 0.581790 0.163580 Si\n0.177924 0.801001 0.602003 Si\n0.088941 0.121782 0.243564 Si\n0.506047 0.895593 0.791186 Si\n0.575921 0.198998 0.397997 Si\n0.875880 0.418210 0.836420 Si\n",
"nsites": 27,
"nelements": 2,
"elements": [
"Ho",
"Si"
],
"chemical_system": "Ho-Si",
"density": 6.646865803798916,
"density_atomic": 0.05081755522024664,
"volume": 531.3124545834646,
"volume_molar": 11.850512552010118,
"formula_full": "Ho10 Si17",
"formula_reduced": "Ho10Si17",
"formula_anonymous": "A10B17",
"energy_above_hull": 3.169431550617284,
"spacegroup": 44
},
{
"id": "jvasp-13993",
"created_at": "2022-09-04T14:36:51.252138Z",
"updated_at": "2022-09-04T14:36:51.252154Z",
"structure_string": "Ho1 Si2\n1.0\n2.059960 -3.567956 0.000000\n2.059960 3.567956 0.000000\n-0.000000 -0.000000 3.906021\nHo Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
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"elements": [
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],
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"density_atomic": 0.052249051123581004,
"volume": 57.417310658988065,
"volume_molar": 11.525837561635816,
"formula_full": "Ho1 Si2",
"formula_reduced": "HoSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1187375888888886,
"spacegroup": 191
},
{
"id": "jvasp-85506",
"created_at": "2022-09-04T14:36:09.637440Z",
"updated_at": "2022-09-04T14:36:09.637469Z",
"structure_string": "Si4 H4 O10\n1.0\n-2.966908 7.440828 2.497535\n2.966908 -7.440828 2.497535\n3.035813 7.472229 -2.497535\nSi H O\n4 4 10\ndirect\n0.573208 0.073589 0.690707 Si\n0.382882 0.882501 0.309292 Si\n0.858083 0.055885 0.007649 Si\n0.048236 0.850433 -0.007649 Si\n0.426302 0.550768 0.441571 H\n0.109196 -0.015272 0.558428 H\n0.754422 0.889108 0.678151 H\n0.210957 0.076271 0.321849 H\n0.246082 0.017088 0.435192 O\n0.581897 0.810890 0.564808 O\n0.853334 0.460931 0.887966 O\n0.572967 0.965368 0.112034 O\n0.589570 0.089569 0.500000 O\n0.285057 0.955168 0.815516 O\n0.845852 0.845852 0.000000 O\n0.872808 0.936763 0.738557 O\n0.139652 0.469541 0.184484 O\n0.198205 0.134249 0.261442 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "H-O-Si",
"density": 2.052676706067422,
"density_atomic": 0.08051125251863482,
"volume": 223.5712330501105,
"volume_molar": 7.479874640636276,
"formula_full": "Si4 H4 O10",
"formula_reduced": "Si2H2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.835403855555555,
"spacegroup": 5
},
{
"id": "jvasp-118493",
"created_at": "2022-09-04T14:38:53.724318Z",
"updated_at": "2022-09-04T14:38:53.724334Z",
"structure_string": "Si1 H1 O2\n1.0\n3.281430 0.000000 0.000000\n0.000000 3.281430 0.000000\n0.000000 -0.000000 3.454129\nSi H O\n1 1 2\ndirect\n0.500001 0.500001 0.537033 Si\n0.000000 0.000000 0.857542 H\n0.000000 0.000000 0.571809 O\n0.500001 0.500001 0.043617 O\n",
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"volume": 37.19331099027159,
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"formula_full": "Si1 H1 O2",
"formula_reduced": "SiHO2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-85508",
"created_at": "2022-09-04T14:35:42.869843Z",
"updated_at": "2022-09-04T14:35:42.869872Z",
"structure_string": "Si4 H4 O10\n1.0\n-3.243161 7.093933 1.784433\n3.106665 -7.509089 2.949878\n3.080188 7.490250 -3.083996\nSi H O\n4 4 10\ndirect\n0.654219 0.139425 0.717155 Si\n0.356979 0.880144 0.325852 Si\n0.844179 0.055065 0.017918 Si\n0.156335 0.958400 0.000217 Si\n0.140140 0.613421 0.484873 H\n0.667995 0.841886 0.647433 H\n0.464554 0.457156 0.657679 H\n0.166779 0.043701 0.325788 H\n0.308973 0.096263 0.462756 O\n0.730813 -0.049933 0.589809 O\n0.926966 0.518167 0.764610 O\n0.698913 0.069332 0.251478 O\n0.352220 0.847430 0.510624 O\n0.510412 0.175686 0.949323 O\n0.067220 0.051965 -0.027313 O\n0.576587 0.721385 0.786954 O\n0.069695 0.444404 0.102478 O\n0.116615 0.054561 0.251637 O\n",
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"volume": 211.77296684076467,
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"formula_full": "Si4 H4 O10",
"formula_reduced": "Si2H2O5",
"formula_anonymous": "A2B2C5",
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"spacegroup": 1
},
{
"id": "jvasp-85507",
"created_at": "2022-09-04T14:36:16.074506Z",
"updated_at": "2022-09-04T14:36:16.074531Z",
"structure_string": "Si4 H4 O10\n1.0\n-2.774550 8.452673 3.775737\n2.774550 -7.598499 1.165384\n2.774550 7.598499 -1.165384\nSi H O\n4 4 10\ndirect\n0.415944 -0.092756 0.687486 Si\n0.439113 0.947551 0.306198 Si\n0.939113 0.132915 -0.008439 Si\n-0.084058 0.728457 0.008701 Si\n0.627263 0.742345 0.465957 H\n0.382601 0.307404 0.567239 H\n0.882601 0.815362 0.575196 H\n0.127263 0.161307 0.384920 H\n0.525512 0.320384 0.462652 O\n0.453319 0.657129 0.542546 O\n0.608799 0.318310 0.934851 O\n0.634223 0.930992 0.057551 O\n0.469955 0.957044 0.487489 O\n0.108798 0.673948 0.790489 O\n0.969955 0.982466 0.012911 O\n0.025512 0.062858 0.705128 O\n0.134223 0.576672 0.203231 O\n-0.046680 -0.089226 0.296190 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "H-O-Si",
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"density_atomic": 0.08416511417054086,
"volume": 213.8653309912611,
"volume_molar": 7.155150705074248,
"formula_full": "Si4 H4 O10",
"formula_reduced": "Si2H2O5",
"formula_anonymous": "A2B2C5",
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"spacegroup": 9
}
]
}