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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1221",
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"results": [
{
"id": "jvasp-119722",
"created_at": "2022-09-04T14:38:52.514283Z",
"updated_at": "2022-09-04T14:38:52.514309Z",
"structure_string": "Li4 Mn8 O12 F4\n1.0\n5.755915 -0.019910 -0.000069\n0.019749 6.058969 -0.000005\n0.000104 0.000006 8.648422\nLi Mn O F\n4 8 12 4\ndirect\n0.969146 -0.000031 0.024198 Li\n0.469146 -0.000031 0.225802 Li\n0.530855 0.500032 0.524198 Li\n0.030854 0.500032 0.725802 Li\n0.500000 0.750001 0.875001 Mn\n0.500000 0.250000 0.875000 Mn\n0.251430 0.000021 0.615482 Mn\n0.748570 0.499980 0.134518 Mn\n0.000000 0.250000 0.375000 Mn\n0.248569 0.499980 0.115483 Mn\n0.751431 0.000021 0.634517 Mn\n0.000000 0.750000 0.375000 Mn\n0.998516 0.214104 0.599649 O\n0.998450 0.785933 0.599647 O\n0.498450 0.785933 0.650353 O\n0.498515 0.214105 0.650351 O\n0.001485 0.285896 0.150352 O\n0.501551 0.714068 0.099647 O\n0.200525 0.000037 0.364506 O\n0.501485 0.285896 0.099649 O\n0.700525 0.000038 0.885493 O\n0.299474 0.499964 0.864506 O\n0.799474 0.499963 0.385494 O\n0.001550 0.714068 0.150354 O\n0.214754 -0.000055 0.881667 F\n0.714754 -0.000056 0.368332 F\n0.285246 0.500056 0.381668 F\n0.785246 0.500057 0.868332 F\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.047921464664339,
"density_atomic": 0.09283316547736263,
"volume": 301.6163442883761,
"volume_molar": 6.487057431504368,
"formula_full": "Li4 Mn8 O12 F4",
"formula_reduced": "LiMn2O3F",
"formula_anonymous": "ABC2D3",
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"spacegroup": 62
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{
"id": "jvasp-45235",
"created_at": "2022-09-04T14:38:10.144236Z",
"updated_at": "2022-09-04T14:38:10.144263Z",
"structure_string": "Li7 Cr5 O12\n1.0\n2.490447 -4.314511 -0.014017\n2.490113 4.313388 0.007008\n-0.812980 1.408426 9.561400\nLi Cr O\n7 5 12\ndirect\n0.994277 0.499906 0.010573 Li\n0.345965 0.174940 0.010419 Li\n0.153942 0.824889 0.489567 Li\n0.505628 0.499906 0.489426 Li\n0.828976 0.174941 0.489580 Li\n0.670947 0.824889 0.010433 Li\n0.749934 0.499868 0.250000 Li\n0.416582 0.833168 0.250000 Cr\n0.583112 0.166226 0.750000 Cr\n0.917050 0.834101 0.750000 Cr\n0.083308 0.166619 0.250000 Cr\n0.250081 0.500163 0.750000 Cr\n0.548681 0.836754 0.636054 O\n0.212089 0.163577 0.636053 O\n0.432860 0.145036 0.363698 O\n0.142956 0.499900 0.364076 O\n0.712175 0.145036 0.136301 O\n0.951486 0.163577 0.863946 O\n0.356943 0.499901 0.135924 O\n0.624587 0.500161 0.865966 O\n0.067041 0.854766 0.136301 O\n0.288072 0.836754 0.863946 O\n0.875574 0.500161 0.634033 O\n0.787725 0.854766 0.363699 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 4.047982894471768,
"density_atomic": 0.11688113240944868,
"volume": 205.33681959826595,
"volume_molar": 5.152363461797851,
"formula_full": "Li7 Cr5 O12",
"formula_reduced": "Li7Cr5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.974358708333333,
"spacegroup": 12
},
{
"id": "jvasp-116979",
"created_at": "2022-09-04T14:38:45.753248Z",
"updated_at": "2022-09-04T14:38:45.753271Z",
"structure_string": "Na6 Dy2 Br12\n1.0\n7.690819 0.000000 0.000000\n-0.000000 5.899496 3.937981\n0.000000 -0.165637 12.743732\nNa Dy Br\n6 2 12\ndirect\n0.500000 0.500000 -0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.096943 0.705092 0.755990 Na\n0.903057 0.294908 0.244010 Na\n0.596943 0.294907 0.744010 Na\n0.403057 0.705093 0.255990 Na\n0.500000 -0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.678080 0.394114 0.428497 Br\n0.321920 0.605886 0.571503 Br\n0.057311 0.908208 0.241910 Br\n0.942689 0.091792 0.758090 Br\n0.557311 0.091792 0.258090 Br\n0.187910 0.241615 0.423060 Br\n0.687910 0.758385 0.076940 Br\n0.312090 0.241615 0.923060 Br\n0.821920 0.394114 0.928497 Br\n0.812090 0.758385 0.576940 Br\n0.442689 0.908208 0.741910 Br\n0.178080 0.605886 0.071503 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Dy",
"Br"
],
"chemical_system": "Br-Dy-Na",
"density": 4.048067086405287,
"density_atomic": 0.03429210760578292,
"volume": 583.224578375791,
"volume_molar": 17.561302528353327,
"formula_full": "Na6 Dy2 Br12",
"formula_reduced": "Na3DyBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-120038",
"created_at": "2022-09-04T14:38:37.409668Z",
"updated_at": "2022-09-04T14:38:37.409693Z",
"structure_string": "Y1 Br2 O1\n1.0\n-2.107694 2.095390 6.146647\n2.107694 -2.095390 6.146647\n2.107694 2.095390 -6.146647\nY Br O\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.660884 0.160883 0.500001 Br\n0.339118 0.839116 0.499998 Br\n0.000000 0.499998 0.499998 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Br",
"O"
],
"chemical_system": "Br-O-Y",
"density": 4.048126614527479,
"density_atomic": 0.03683742811576132,
"volume": 108.58521358847398,
"volume_molar": 16.347886017111374,
"formula_full": "Y1 Br2 O1",
"formula_reduced": "YBr2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8291017900000001,
"spacegroup": 71
},
{
"id": "jvasp-116920",
"created_at": "2022-09-04T14:38:47.176863Z",
"updated_at": "2022-09-04T14:38:47.176890Z",
"structure_string": "Ba6 P12\n1.0\n12.226817 0.000000 0.000000\n-0.000000 5.159178 3.843983\n0.000000 0.002049 7.775897\nBa P\n6 12\ndirect\n0.838886 0.227336 0.667182 Ba\n0.338886 0.772665 0.832818 Ba\n0.161114 0.772665 0.332818 Ba\n0.661115 0.227336 0.167181 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.203888 0.323427 0.846492 P\n0.703888 0.676574 0.653508 P\n0.625975 0.819132 0.034899 P\n0.125975 0.180869 0.465100 P\n0.374025 0.180869 0.965100 P\n0.393482 0.065249 0.303915 P\n0.893482 0.934752 0.196085 P\n0.296112 0.323427 0.346492 P\n0.106518 0.065249 0.803915 P\n0.606518 0.934752 0.696085 P\n0.874025 0.819132 0.534900 P\n0.796112 0.676574 0.153508 P\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ba",
"P"
],
"chemical_system": "Ba-P",
"density": 4.048489147351328,
"density_atomic": 0.036703996621927665,
"volume": 490.40980973844296,
"volume_molar": 16.407316135165125,
"formula_full": "Ba6 P12",
"formula_reduced": "BaP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.38235899,
"spacegroup": 14
},
{
"id": "jvasp-30067",
"created_at": "2022-09-04T14:38:12.182415Z",
"updated_at": "2022-09-04T14:38:12.182444Z",
"structure_string": "Cd1 Cl2\n1.0\n3.646641 2.210773 10.983263\n-1.093353 0.959878 3.588606\n-3.971855 -3.629548 -4.437616\nCd Cl\n1 2\ndirect\n0.012570 0.991851 0.015096 Cd\n0.679443 0.242906 0.932403 Cl\n0.345699 0.740795 0.097774 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl",
"density": 4.048675263885083,
"density_atomic": 0.03990086954140408,
"volume": 75.18633138776535,
"volume_molar": 15.092755694837637,
"formula_full": "Cd1 Cl2",
"formula_reduced": "CdCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 6.66666666665483e-06,
"spacegroup": 164
},
{
"id": "jvasp-114953",
"created_at": "2022-09-04T14:38:44.258847Z",
"updated_at": "2022-09-04T14:38:44.258875Z",
"structure_string": "Ga2 I1\n1.0\n5.728595 0.000000 0.000000\n0.000000 3.708807 0.000000\n0.000000 0.000000 5.141646\nGa I\n2 1\ndirect\n-0.033494 0.000000 0.752424 Ga\n-0.033494 0.000000 0.247577 Ga\n0.466989 0.000000 0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"I"
],
"chemical_system": "Ga-I",
"density": 4.048722759407782,
"density_atomic": 0.027462288724846448,
"volume": 109.24071296671484,
"volume_molar": 21.928765006943795,
"formula_full": "Ga2 I1",
"formula_reduced": "Ga2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0209999999999999,
"spacegroup": 47
},
{
"id": "jvasp-72766",
"created_at": "2022-09-04T14:35:52.808726Z",
"updated_at": "2022-09-04T14:35:52.808752Z",
"structure_string": "Sc1 Be1 Cr1\n1.0\n1.451813 -2.514613 -0.000000\n1.451813 2.514613 0.000000\n-0.000000 -0.000000 5.952037\nSc Be Cr\n1 1 1\ndirect\n0.333332 0.666666 0.664995 Sc\n0.000000 0.000000 0.030834 Be\n0.666666 0.333332 0.304171 Cr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Cr"
],
"chemical_system": "Be-Cr-Sc",
"density": 4.048841551320879,
"density_atomic": 0.06903094193898339,
"volume": 43.45877248280499,
"volume_molar": 8.723828171608877,
"formula_full": "Sc1 Be1 Cr1",
"formula_reduced": "ScBeCr",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-100820",
"created_at": "2022-09-04T14:36:39.133684Z",
"updated_at": "2022-09-04T14:36:39.133711Z",
"structure_string": "Mn1 Cd1 S2\n1.0\n3.897423 -0.000079 5.830533\n1.769214 3.472721 5.830533\n-0.000129 -0.000079 7.013204\nMn Cd S\n1 1 2\ndirect\n0.498838 0.498838 0.498839 Mn\n0.001502 0.001502 0.001502 Cd\n0.130170 0.130170 0.130171 S\n0.619487 0.619488 0.619489 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Cd",
"S"
],
"chemical_system": "Cd-Mn-S",
"density": 4.049262675272697,
"density_atomic": 0.04213812064609713,
"volume": 94.92592309928952,
"volume_molar": 14.291431766921423,
"formula_full": "Mn1 Cd1 S2",
"formula_reduced": "MnCdS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3868617478448275,
"spacegroup": 160
},
{
"id": "jvasp-10124",
"created_at": "2022-09-04T14:38:31.679891Z",
"updated_at": "2022-09-04T14:38:31.679913Z",
"structure_string": "Rb8 Sb8\n1.0\n7.252008 0.000000 0.000000\n0.000000 7.302287 0.000000\n0.000000 0.000000 12.837755\nRb Sb\n8 8\ndirect\n0.325418 0.341011 0.713703 Rb\n0.825418 0.158989 0.286297 Rb\n0.674582 0.841011 0.786297 Rb\n0.174582 0.658989 0.213703 Rb\n0.591189 0.599556 0.418366 Rb\n0.091189 0.900444 0.581634 Rb\n0.408811 0.099556 0.081634 Rb\n0.908811 0.400444 0.918365 Rb\n0.089861 0.448940 0.465810 Sb\n0.589861 0.051060 0.534190 Sb\n0.910139 0.948940 0.034190 Sb\n0.410139 0.551061 0.965810 Sb\n0.823857 0.333025 0.623309 Sb\n0.323857 0.166975 0.376691 Sb\n0.176143 0.833025 0.876691 Sb\n0.676143 0.666975 0.123309 Sb\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.049308314469349,
"density_atomic": 0.02353497422527274,
"volume": 679.8392828838792,
"volume_molar": 25.588049098151117,
"formula_full": "Rb8 Sb8",
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"formula_anonymous": "AB",
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"spacegroup": 19
},
{
"id": "jvasp-113155",
"created_at": "2022-09-04T14:38:44.724381Z",
"updated_at": "2022-09-04T14:38:44.724410Z",
"structure_string": "Li4 Ti2 Cr6 O16\n1.0\n5.066527 0.003847 2.956016\n1.703326 9.514157 -2.930968\n-0.027304 0.003486 5.865831\nLi Ti Cr O\n4 2 6 16\ndirect\n0.937725 0.186848 0.124543 Li\n0.437698 0.686850 0.124567 Li\n0.562300 0.313151 0.875435 Li\n0.062280 0.813153 0.875455 Li\n0.749998 0.750001 0.500002 Ti\n0.250003 0.250000 0.499997 Ti\n-0.000002 0.500000 0.500001 Cr\n0.000002 0.000000 0.499999 Cr\n0.500000 0.500001 0.500001 Cr\n-0.000003 0.500000 0.000002 Cr\n0.500003 0.000001 0.499999 Cr\n0.500002 0.000001 -0.000001 Cr\n0.095968 0.618786 0.261428 O\n0.357389 0.381223 0.738597 O\n0.857391 0.881223 0.738597 O\n0.904032 0.381214 0.738573 O\n0.404021 0.881217 0.738583 O\n0.595984 0.118785 0.261416 O\n0.142615 0.118777 0.261400 O\n0.368438 0.894699 0.263114 O\n0.142638 0.118789 0.714750 O\n0.642626 0.618789 0.714764 O\n0.131567 0.605302 0.736882 O\n0.631568 0.105301 0.736882 O\n0.857367 0.881211 0.285247 O\n0.868430 0.394699 0.263121 O\n0.642609 0.618779 0.261406 O\n0.357371 0.381212 0.285239 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.049332690028529,
"density_atomic": 0.0987466091055593,
"volume": 283.554040524756,
"volume_molar": 6.098579803952947,
"formula_full": "Li4 Ti2 Cr6 O16",
"formula_reduced": "Li2TiCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.255489895238096,
"spacegroup": 166
},
{
"id": "jvasp-117258",
"created_at": "2022-09-04T14:38:46.994381Z",
"updated_at": "2022-09-04T14:38:46.994408Z",
"structure_string": "Li4 Ti2 Cr6 O16\n1.0\n5.062906 -0.016409 2.910565\n-1.688528 9.578580 2.885704\n-0.019262 0.001965 5.840013\nLi Ti Cr O\n4 2 6 16\ndirect\n0.186847 0.062283 0.124564 Li\n0.686834 0.562282 0.124582 Li\n0.313159 0.437718 0.875435 Li\n0.813162 0.937718 0.875413 Li\n0.750006 0.249999 0.500000 Ti\n0.249996 0.750001 0.499996 Ti\n0.999996 0.499999 0.500005 Cr\n0.500006 0.000001 0.499991 Cr\n0.750004 0.250001 0.000000 Cr\n0.250005 0.250001 0.500000 Cr\n0.249997 0.749999 -0.000002 Cr\n0.749996 0.749999 0.499997 Cr\n0.392102 0.130696 0.714761 O\n0.154528 0.869292 0.738589 O\n0.654523 0.369288 0.738599 O\n0.607903 0.869305 0.285225 O\n0.107905 0.369304 0.285239 O\n0.892092 0.630695 0.714769 O\n0.345467 0.630709 0.261405 O\n0.894681 0.631565 0.263154 O\n0.118798 0.857378 0.261384 O\n0.618806 0.357378 0.261387 O\n0.605315 0.868433 0.736843 O\n0.105319 0.368434 0.736851 O\n0.881205 0.142622 0.738613 O\n0.394688 0.131569 0.263146 O\n0.845483 0.130711 0.261402 O\n0.381194 0.642622 0.738611 O\n",
"nsites": 28,
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"elements": [
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"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 4.04936464623659,
"density_atomic": 0.09874738838635132,
"volume": 283.5518028127426,
"volume_molar": 6.098531676036072,
"formula_full": "Li4 Ti2 Cr6 O16",
"formula_reduced": "Li2TiCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.2554891809523814,
"spacegroup": 166
}
]
}