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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=619",
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"results": [
{
"id": "jvasp-24282",
"created_at": "2022-09-04T14:38:02.053430Z",
"updated_at": "2022-09-04T14:38:02.053452Z",
"structure_string": "Cd4 B8 Xe4 F40\n1.0\n0.000000 8.722806 -0.014290\n9.157830 0.000000 0.000000\n0.000000 -3.814853 -9.955305\nCd B Xe F\n4 8 4 40\ndirect\n0.654392 0.537310 0.362153 Cd\n0.154392 0.962689 0.362153 Cd\n0.845609 0.037310 0.637848 Cd\n0.345609 0.462689 0.637848 Cd\n0.475323 0.220887 0.423756 B\n0.524678 0.779113 0.576244 B\n0.709908 0.902663 0.288804 B\n0.975323 0.279113 0.423756 B\n0.790093 0.402663 0.711197 B\n0.290093 0.097337 0.711197 B\n0.209908 0.597337 0.288804 B\n0.024678 0.720887 0.576244 B\n0.652499 0.293097 0.048192 Xe\n0.347502 0.706903 0.951809 Xe\n0.152499 0.206903 0.048192 Xe\n0.847502 0.793097 0.951809 Xe\n0.273964 0.078447 0.574297 F\n0.409004 0.845752 0.463155 F\n0.356465 0.240900 0.750813 F\n0.112824 0.827935 0.532765 F\n0.365813 0.115354 0.343708 F\n0.369592 0.591463 0.278959 F\n0.051815 0.207449 0.344016 F\n0.865813 0.384646 0.343708 F\n0.391211 0.993733 0.793266 F\n0.643536 0.759100 0.249187 F\n0.229745 0.373427 0.957654 F\n0.551815 0.292550 0.344016 F\n0.590997 0.154248 0.536846 F\n0.270255 0.873427 0.042347 F\n0.608790 0.006267 0.206735 F\n0.887177 0.172064 0.467236 F\n0.226037 0.578447 0.425704 F\n0.909004 0.654248 0.463155 F\n0.072012 0.031520 0.143233 F\n0.948186 0.792550 0.655985 F\n0.130409 0.091463 0.721042 F\n0.108790 0.493733 0.206735 F\n0.572012 0.468480 0.143233 F\n0.869592 0.908537 0.278959 F\n0.427988 0.531520 0.856768 F\n0.612824 0.672064 0.532765 F\n0.143536 0.740900 0.249187 F\n0.448186 0.707449 0.655985 F\n0.726037 0.921553 0.425704 F\n0.927989 0.968480 0.856768 F\n0.770255 0.626573 0.042347 F\n0.891211 0.506267 0.793266 F\n0.387177 0.327935 0.467236 F\n0.773964 0.421553 0.574297 F\n0.729746 0.126573 0.957654 F\n0.134188 0.615354 0.656293 F\n0.856465 0.259100 0.750813 F\n0.630409 0.408537 0.721042 F\n0.634188 0.884646 0.656293 F\n0.090997 0.345752 0.536846 F\n",
"nsites": 56,
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"elements": [
"Cd",
"B",
"Xe",
"F"
],
"chemical_system": "B-Cd-F-Xe",
"density": 3.8004970215957776,
"density_atomic": 0.07037398034288814,
"volume": 795.7486520891276,
"volume_molar": 8.55733998653749,
"formula_full": "Cd4 B8 Xe4 F40",
"formula_reduced": "CdB2XeF10",
"formula_anonymous": "ABC2D10",
"energy_above_hull": 0.1742237565476188,
"spacegroup": 14
},
{
"id": "jvasp-46782",
"created_at": "2022-09-04T14:38:04.924838Z",
"updated_at": "2022-09-04T14:38:04.924864Z",
"structure_string": "Mn4 O4 F8\n1.0\n0.000000 5.661465 -0.296244\n4.872729 0.000000 0.000000\n0.000000 -1.912220 -7.144620\nMn O F\n4 4 8\ndirect\n0.393135 0.996410 0.689613 Mn\n0.893135 0.503590 0.689613 Mn\n0.106866 0.496410 0.310386 Mn\n0.606866 0.003590 0.310386 Mn\n-0.002548 0.396643 0.939518 O\n0.497453 0.103358 0.939518 O\n0.502548 0.896643 0.060482 O\n0.002548 0.603358 0.060482 O\n0.096109 0.835527 0.732932 F\n0.596109 0.664473 0.732932 F\n0.181846 0.337414 0.585666 F\n0.681846 0.162586 0.585666 F\n0.318155 0.837414 0.414333 F\n0.818155 0.662586 0.414333 F\n0.403892 0.335527 0.267068 F\n0.903892 0.164473 0.267068 F\n",
"nsites": 16,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.620372653750341,
"density_atomic": 0.08005707461840139,
"volume": 199.85741517867487,
"volume_molar": 7.522309288348379,
"formula_full": "Mn4 O4 F8",
"formula_reduced": "MnOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1150103265948277,
"spacegroup": 14
},
{
"id": "jvasp-45782",
"created_at": "2022-09-04T14:38:02.838421Z",
"updated_at": "2022-09-04T14:38:02.838442Z",
"structure_string": "Mn6 O4 F12\n1.0\n0.000000 5.388142 -0.012666\n4.674014 0.000000 0.000000\n0.000000 -0.912617 -9.932786\nMn O F\n6 4 12\ndirect\n0.500000 0.500000 0.000000 Mn\n0.261863 0.973312 0.756609 Mn\n0.738136 0.473312 0.743392 Mn\n0.500000 0.000000 0.500000 Mn\n0.261863 0.526687 0.256609 Mn\n0.738136 0.026687 0.243392 Mn\n0.477705 0.674783 0.823364 O\n0.522294 0.174784 0.676637 O\n0.477706 0.825215 0.323364 O\n0.522294 0.325216 0.176637 O\n0.021446 0.232731 0.190839 F\n0.978554 0.732730 0.309161 F\n0.778971 0.182979 0.425108 F\n0.302370 0.325104 0.420978 F\n0.697629 0.674895 0.579022 F\n0.302370 0.174896 0.920979 F\n0.021446 0.267269 0.690840 F\n0.978553 0.767268 0.809161 F\n0.778971 0.317020 0.925108 F\n0.221028 0.682979 0.074893 F\n0.221028 0.817020 0.574893 F\n0.697629 0.825103 0.079022 F\n",
"nsites": 22,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.125445746586722,
"density_atomic": 0.08792831905512782,
"volume": 250.20380505860473,
"volume_molar": 6.848920603411444,
"formula_full": "Mn6 O4 F12",
"formula_reduced": "Mn3(OF3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 1.6237618562852665,
"spacegroup": 14
},
{
"id": "jvasp-29390",
"created_at": "2022-09-04T14:38:03.870427Z",
"updated_at": "2022-09-04T14:38:03.870454Z",
"structure_string": "Mg8 Si8 O24\n1.0\n4.979775 0.000000 -1.673245\n0.000000 8.924212 0.000000\n-0.571764 0.000000 9.845198\nMg Si O\n8 8 24\ndirect\n0.691859 0.843202 0.278647 Mg\n0.191858 0.656797 0.278647 Mg\n0.349599 0.510955 0.767143 Mg\n0.308143 0.156797 0.721353 Mg\n0.808143 0.343203 0.721353 Mg\n0.650403 0.489045 0.232857 Mg\n0.150403 0.010955 0.232857 Mg\n0.849599 0.989045 0.767143 Mg\n0.242723 0.834332 0.569455 Si\n0.757278 0.165667 0.430545 Si\n0.292302 0.211430 0.985917 Si\n0.207699 0.711430 0.014083 Si\n0.742724 0.665667 0.569455 Si\n0.792302 0.288569 0.985917 Si\n0.257278 0.334332 0.430545 Si\n0.707700 0.788569 0.014083 Si\n0.463789 0.685293 0.618716 O\n0.889705 0.769733 0.906916 O\n0.110297 0.230267 0.093084 O\n0.289379 0.830459 0.150530 O\n0.765825 0.947093 0.100213 O\n0.111780 0.842579 0.390886 O\n0.388221 0.342579 0.609114 O\n0.568947 0.027457 0.348364 O\n0.610297 0.269733 0.093084 O\n0.036213 0.185293 0.381285 O\n0.710622 0.169541 0.849470 O\n0.963789 0.814706 0.618715 O\n0.536213 0.314706 0.381284 O\n0.931055 0.527457 0.651635 O\n0.234177 0.052907 0.899787 O\n0.431054 0.972542 0.651636 O\n0.888221 0.157421 0.609114 O\n0.789380 0.669541 0.150530 O\n0.068947 0.472543 0.348365 O\n0.734177 0.447093 0.899786 O\n0.611781 0.657421 0.390886 O\n0.210622 0.330459 0.849470 O\n0.389704 0.730267 0.906916 O\n0.265824 0.552907 0.100214 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.108696910331877,
"density_atomic": 0.093242617847752,
"volume": 428.98838453155213,
"volume_molar": 6.458571090135035,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.44345163,
"spacegroup": 14
},
{
"id": "jvasp-33530",
"created_at": "2022-09-04T14:38:02.953098Z",
"updated_at": "2022-09-04T14:38:02.953130Z",
"structure_string": "Si2 H20 O8 F12\n1.0\n5.804642 0.000000 -1.557941\n0.000000 9.946337 0.000000\n0.058102 0.000000 6.447332\nSi H O F\n2 20 8 12\ndirect\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.610313 0.356008 0.631815 H\n0.389686 0.643992 0.368185 H\n0.610313 0.143992 0.131815 H\n0.744874 0.224495 0.736173 H\n0.255125 0.724495 0.763827 H\n0.255125 0.775505 0.263827 H\n0.744874 0.275505 0.236173 H\n0.432658 0.191860 0.628377 H\n0.567341 0.691860 0.871622 H\n0.389686 0.856009 0.868185 H\n0.432658 0.308140 0.128377 H\n0.173724 0.114862 0.649750 H\n0.826275 0.614862 0.850250 H\n0.826276 0.885139 0.350250 H\n0.173724 0.385138 0.149750 H\n0.216291 0.122302 0.410481 H\n0.783709 0.622302 0.089519 H\n0.783708 0.877699 0.589518 H\n0.216291 0.377698 0.910481 H\n0.567342 0.808140 0.371623 H\n0.597824 0.273915 0.715705 O\n0.402175 0.773915 0.784295 O\n0.402176 0.726086 0.284295 O\n0.597824 0.226085 0.215705 O\n0.706420 0.612982 0.933156 O\n0.706420 0.887018 0.433156 O\n0.293580 0.387018 0.066844 O\n0.293579 0.112982 0.566844 O\n0.969179 0.394473 0.279528 F\n0.066040 0.363987 0.668493 F\n0.933959 0.863987 0.831507 F\n0.933959 0.636013 0.331507 F\n0.066040 0.136013 0.168493 F\n0.282679 0.519838 0.509479 F\n0.717320 0.019838 0.990520 F\n0.717320 0.480162 0.490520 F\n0.282680 0.980162 0.009480 F\n0.030820 0.605527 0.720472 F\n0.969179 0.105527 0.779528 F\n0.030820 0.894473 0.220472 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
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"H",
"O",
"F"
],
"chemical_system": "F-H-O-Si",
"density": 1.9238552076980504,
"density_atomic": 0.11255932378776312,
"volume": 373.1365700027955,
"volume_molar": 5.350192731572449,
"formula_full": "Si2 H20 O8 F12",
"formula_reduced": "SiH10(O2F3)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 2.1897530616666665,
"spacegroup": 14
},
{
"id": "jvasp-35267",
"created_at": "2022-09-04T14:38:03.020727Z",
"updated_at": "2022-09-04T14:38:03.020751Z",
"structure_string": "Na8 Zn4 S8\n1.0\n0.000000 6.853022 0.031372\n7.055452 0.000000 0.000000\n0.000000 -0.529329 -8.799031\nNa Zn S\n8 4 8\ndirect\n0.546607 0.674967 0.678225 Na\n0.953392 0.174967 0.321775 Na\n0.453392 0.325033 0.321775 Na\n0.046607 0.825033 0.678225 Na\n0.512219 0.764262 0.052873 Na\n0.987781 0.264263 0.947127 Na\n0.487781 0.235737 0.947127 Na\n0.012219 0.735737 0.052873 Na\n0.344237 0.903463 0.370420 Zn\n0.155762 0.403463 0.629580 Zn\n0.655762 0.096536 0.629580 Zn\n0.844237 0.596536 0.370420 Zn\n0.302624 0.106654 0.591571 S\n0.197375 0.606654 0.408429 S\n0.697375 0.893346 0.408430 S\n0.802624 0.393346 0.591571 S\n0.246252 0.044452 0.143656 S\n0.253748 0.544452 0.856344 S\n0.753748 0.955547 0.856344 S\n0.746252 0.455547 0.143657 S\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Na-S-Zn",
"density": 2.74100536206762,
"density_atomic": 0.047022725506421684,
"volume": 425.3262605390385,
"volume_molar": 12.806873049452618,
"formula_full": "Na8 Zn4 S8",
"formula_reduced": "Na2ZnS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-9154",
"created_at": "2022-09-04T14:38:03.149166Z",
"updated_at": "2022-09-04T14:38:03.149199Z",
"structure_string": "Ti4 O8\n1.0\n0.000000 4.830002 -0.014882\n4.902779 0.000000 0.000000\n0.000000 -0.874713 -4.985349\nTi O\n4 8\ndirect\n0.721794 0.553392 0.286272 Ti\n0.278206 0.053392 0.213728 Ti\n0.278206 0.446608 0.713728 Ti\n0.721794 0.946608 0.786272 Ti\n0.556043 0.258300 0.031485 O\n0.443957 0.758300 0.468514 O\n0.443957 0.741700 0.968514 O\n0.556043 0.241700 0.531485 O\n0.934597 0.673713 0.652128 O\n0.065403 0.173713 0.847872 O\n0.065403 0.326287 0.347872 O\n0.934597 0.826287 0.152128 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.491072026772867,
"density_atomic": 0.10159242598660942,
"volume": 118.11904168507289,
"volume_molar": 5.927745795531804,
"formula_full": "Ti4 O8",
"formula_reduced": "TiO2",
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"spacegroup": 14
},
{
"id": "jvasp-31840",
"created_at": "2022-09-04T14:38:03.341229Z",
"updated_at": "2022-09-04T14:38:03.341239Z",
"structure_string": "Cu2 Sb4 H24 O12 F16\n1.0\n4.860533 -0.014871 0.000000\n-1.253237 6.736587 0.000000\n0.000000 0.000000 18.108916\nCu Sb H O F\n2 4 24 12 16\ndirect\n-0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.129307 0.972199 0.781556 Sb\n0.870692 0.027802 0.218444 Sb\n0.370692 0.527802 0.281556 Sb\n0.629307 0.472199 0.718444 Sb\n0.435245 0.682689 0.939217 H\n0.276498 0.156898 0.980131 H\n0.634818 0.646864 0.440518 H\n0.828962 0.158537 0.389534 H\n0.211454 0.978156 0.379609 H\n0.288545 0.521845 0.879609 H\n0.110896 0.797111 0.086993 H\n0.328962 0.658537 0.110466 H\n0.171037 0.841464 0.610466 H\n0.134819 0.146864 0.059483 H\n0.711454 0.478156 0.120391 H\n0.610896 0.297111 0.413007 H\n0.064754 0.817312 0.439217 H\n0.788545 0.021845 0.620391 H\n0.365180 0.353137 0.559483 H\n0.865180 0.853137 0.940518 H\n0.223502 0.343102 0.480131 H\n0.389103 0.702890 0.586993 H\n0.935245 0.182689 0.560783 H\n0.889103 0.202890 0.913007 H\n0.723501 0.843103 0.019869 H\n0.776497 0.656898 0.519869 H\n0.564754 0.317312 0.060783 H\n0.671037 0.341464 0.889534 H\n0.746832 0.114820 0.581662 O\n0.246832 0.614821 0.918339 O\n0.775336 0.298860 0.932175 O\n0.253167 0.885180 0.418339 O\n0.224662 0.701141 0.067825 O\n0.767753 0.732510 0.473837 O\n0.753167 0.385180 0.081662 O\n0.232246 0.267490 0.526164 O\n0.724662 0.201141 0.432175 O\n0.732246 0.767490 0.973837 O\n0.275336 0.798860 0.567825 O\n0.267753 0.232510 0.026163 O\n0.447263 0.376853 0.822776 F\n0.552735 0.623147 0.177224 F\n0.052736 0.123147 0.322776 F\n0.174923 0.254736 0.187619 F\n0.903242 0.960743 0.101453 F\n0.674922 0.754736 0.312381 F\n0.839428 0.140156 0.777936 F\n0.660571 0.359844 0.277936 F\n0.160571 0.859845 0.222064 F\n0.947263 0.876854 0.677224 F\n0.825076 0.745265 0.812381 F\n0.596756 0.539258 0.601453 F\n0.403243 0.460743 0.398547 F\n0.325077 0.245264 0.687619 F\n0.339428 0.640156 0.722065 F\n0.096756 0.039257 0.898547 F\n",
"nsites": 58,
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"elements": [
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],
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"density": 3.178367545117737,
"density_atomic": 0.09787211703370854,
"volume": 592.6100482737487,
"volume_molar": 6.153070907749845,
"formula_full": "Cu2 Sb4 H24 O12 F16",
"formula_reduced": "CuSb2H12(O3F4)2",
"formula_anonymous": "AB2C6D8E12",
"energy_above_hull": 2.02878503137931,
"spacegroup": 14
},
{
"id": "jvasp-37764",
"created_at": "2022-09-04T14:38:03.390395Z",
"updated_at": "2022-09-04T14:38:03.390413Z",
"structure_string": "Na6 Dy2 Cl12\n1.0\n0.000000 6.750266 -0.002178\n7.261327 0.000000 0.000000\n0.000000 -6.560373 -10.091726\nNa Dy Cl\n6 2 12\ndirect\n0.710387 0.913343 0.242904 Na\n0.289614 0.413343 0.257097 Na\n0.289615 0.086657 0.757097 Na\n0.710387 0.586657 0.742904 Na\n0.500001 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.246995 0.808446 0.578990 Cl\n0.753007 0.308446 0.921011 Cl\n0.388303 0.320360 0.569034 Cl\n0.611699 0.820360 0.930967 Cl\n0.611698 0.679640 0.430966 Cl\n0.094901 0.062581 0.241680 Cl\n0.094901 0.437419 0.741680 Cl\n0.905101 0.937419 0.758321 Cl\n0.246995 0.691554 0.078990 Cl\n0.905101 0.562581 0.258321 Cl\n0.388303 0.179640 0.069034 Cl\n0.753006 0.191554 0.421010 Cl\n",
"nsites": 20,
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"elements": [
"Na",
"Dy",
"Cl"
],
"chemical_system": "Cl-Dy-Na",
"density": 2.9816167704211827,
"density_atomic": 0.04042374820967617,
"volume": 494.75867245810304,
"volume_molar": 14.897531838867158,
"formula_full": "Na6 Dy2 Cl12",
"formula_reduced": "Na3DyCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-45919",
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