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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=199",
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"results": [
{
"id": "jvasp-22956",
"created_at": "2022-09-04T14:38:28.057861Z",
"updated_at": "2022-09-04T14:38:28.057894Z",
"structure_string": "Sr4 Cd4 P8 O28\n1.0\n0.000000 5.480023 0.010213\n8.585377 0.000000 0.000000\n0.000000 -5.465377 -12.969593\nSr Cd P O\n4 4 8 28\ndirect\n0.511590 0.325577 0.228543 Sr\n0.488409 0.825577 0.271457 Sr\n0.488408 0.674423 0.771457 Sr\n0.511590 0.174423 0.728543 Sr\n0.221726 0.358323 0.905204 Cd\n0.778272 0.858323 0.594796 Cd\n0.778272 0.641678 0.094796 Cd\n0.221727 0.141677 0.405204 Cd\n0.927345 0.029867 0.170244 P\n0.072654 0.970133 0.829756 P\n0.927344 0.470133 0.670244 P\n0.072655 0.529867 0.329756 P\n0.173367 0.785420 0.475666 P\n0.173367 0.714580 0.975666 P\n0.826632 0.214580 0.524334 P\n0.826632 0.285420 0.024334 P\n0.717129 0.052236 0.214977 O\n0.815723 0.105067 0.055001 O\n0.184276 0.605067 0.444999 O\n0.184276 0.894934 0.944999 O\n0.815723 0.394934 0.555001 O\n0.011112 0.360541 0.344001 O\n0.011111 0.139459 0.844001 O\n0.988887 0.639459 0.655999 O\n0.189632 0.112829 0.233558 O\n0.810367 0.612830 0.266442 O\n0.282870 0.552236 0.285023 O\n0.988888 0.860542 0.155999 O\n0.282870 0.947764 0.785023 O\n0.885518 0.671617 0.955794 O\n0.635087 0.296962 0.911494 O\n0.364912 0.796963 0.588506 O\n0.364912 0.703038 0.088506 O\n0.635087 0.203038 0.411494 O\n0.114481 0.328383 0.044206 O\n0.885518 0.828383 0.455794 O\n0.810366 0.887171 0.766442 O\n0.114481 0.171617 0.544206 O\n0.722566 0.380797 0.094058 O\n0.277434 0.880797 0.405942 O\n0.277433 0.619204 0.905942 O\n0.722565 0.119203 0.594058 O\n0.717129 0.447764 0.714977 O\n0.189632 0.387171 0.733558 O\n",
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"elements": [
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],
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"density": 4.074027755496898,
"density_atomic": 0.07216486197445607,
"volume": 609.7150163686937,
"volume_molar": 8.34497648194995,
"formula_full": "Sr4 Cd4 P8 O28",
"formula_reduced": "SrCdP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.0143146872727278,
"spacegroup": 14
},
{
"id": "jvasp-22143",
"created_at": "2022-09-04T14:37:44.729725Z",
"updated_at": "2022-09-04T14:37:44.729750Z",
"structure_string": "Sr6 Cd2 Ir2 O12\n1.0\n6.827001 0.049024 -0.037624\n-0.038100 6.827070 -0.037624\n0.048402 0.049024 6.826933\nSr Cd Ir O\n6 2 2 12\ndirect\n0.750000 0.387477 0.112523 Sr\n0.387477 0.112522 0.750000 Sr\n0.612523 0.887477 0.250001 Sr\n0.112523 0.750000 0.387478 Sr\n0.250000 0.612522 0.887477 Sr\n0.887477 0.249999 0.612523 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.749999 0.750001 Cd\n0.500000 0.499999 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.084105 0.283928 0.947885 O\n0.783928 0.584104 0.447886 O\n0.552115 0.216071 0.415895 O\n0.415895 0.552115 0.216072 O\n0.216072 0.415894 0.552115 O\n0.716071 0.052114 0.915895 O\n0.915895 0.716071 0.052116 O\n0.052115 0.915894 0.716072 O\n0.447885 0.783928 0.584106 O\n0.584105 0.447884 0.783929 O\n0.947885 0.084104 0.283929 O\n0.283928 0.947885 0.084106 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cd-Ir-O-Sr",
"density": 6.9241794563212355,
"density_atomic": 0.06913232878220572,
"volume": 318.23027500359103,
"volume_molar": 8.711034137114249,
"formula_full": "Sr6 Cd2 Ir2 O12",
"formula_reduced": "Sr3CdIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.5032255254545452,
"spacegroup": 167
},
{
"id": "jvasp-87166",
"created_at": "2022-09-04T14:36:00.800669Z",
"updated_at": "2022-09-04T14:36:00.800693Z",
"structure_string": "Sr2 Ca1 W1 O6\n1.0\n5.089674 0.000000 2.938525\n1.696558 4.798591 2.938525\n-0.000000 -0.000000 5.877049\nSr Ca W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 W\n0.232188 0.767812 0.767813 O\n0.232188 0.767812 0.232189 O\n0.767812 0.232188 0.767813 O\n0.232188 0.232188 0.767813 O\n0.767812 0.232188 0.232189 O\n0.767812 0.767812 0.232189 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"W",
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],
"chemical_system": "Ca-O-Sr-W",
"density": 5.728312827997129,
"density_atomic": 0.06966858454541393,
"volume": 143.53671838246453,
"volume_molar": 8.643983223276809,
"formula_full": "Sr2 Ca1 W1 O6",
"formula_reduced": "Sr2CaWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.191906404,
"spacegroup": 225
},
{
"id": "jvasp-49203",
"created_at": "2022-09-04T14:37:18.117595Z",
"updated_at": "2022-09-04T14:37:18.117621Z",
"structure_string": "Sr4 Ca2 U2 O12\n1.0\n0.000000 5.951673 -0.004149\n6.116528 0.000000 0.000000\n0.000000 -5.912993 -8.476958\nSr Ca U O\n4 2 2 12\ndirect\n0.734224 0.548637 0.247493 Sr\n0.265776 0.048636 0.252508 Sr\n0.734224 0.951364 0.747493 Sr\n0.265776 0.451364 0.752508 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.247501 0.719367 0.560946 O\n0.752500 0.219366 0.939055 O\n0.666236 0.688869 0.950414 O\n0.333765 0.188869 0.549587 O\n0.333765 0.311131 0.049587 O\n0.130662 0.042755 0.734952 O\n0.869338 0.957246 0.265049 O\n0.130662 0.457245 0.234952 O\n0.247501 0.780634 0.060946 O\n0.869338 0.542755 0.765049 O\n0.666235 0.811131 0.450414 O\n0.752499 0.280634 0.439055 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Ca",
"U",
"O"
],
"chemical_system": "Ca-O-Sr-U",
"density": 5.909187103441815,
"density_atomic": 0.06477908418762947,
"volume": 308.7416293517051,
"volume_molar": 9.296427752138579,
"formula_full": "Sr4 Ca2 U2 O12",
"formula_reduced": "Sr2CaUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.9181680040000004,
"spacegroup": 14
},
{
"id": "jvasp-119144",
"created_at": "2022-09-04T14:38:35.495055Z",
"updated_at": "2022-09-04T14:38:35.495066Z",
"structure_string": "Sr2 Ca2 Ti4 O12\n1.0\n5.495092 0.000000 0.000000\n0.000000 5.522604 0.000000\n-0.000000 -0.000000 7.752269\nSr Ca Ti O\n2 2 4 12\ndirect\n0.252033 0.984309 0.500000 Sr\n0.747967 0.484310 0.500000 Sr\n0.244287 0.038409 -0.000000 Ca\n0.755713 0.538409 -0.000000 Ca\n0.253904 0.510445 0.755117 Ti\n0.746096 0.010446 0.244883 Ti\n0.253904 0.510445 0.244883 Ti\n0.746096 0.010446 0.755117 Ti\n0.679331 0.976887 -0.000000 O\n0.320669 0.476887 -0.000000 O\n0.968913 0.274443 0.789074 O\n0.031087 0.774443 0.210926 O\n0.528425 0.715742 0.272881 O\n0.968913 0.274443 0.210926 O\n0.528425 0.715742 0.727119 O\n0.471574 0.215742 0.272881 O\n0.202147 0.499128 0.500000 O\n0.031087 0.774443 0.789074 O\n0.471574 0.215742 0.727119 O\n0.797852 -0.000871 0.500000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ca-O-Sr-Ti",
"density": 4.509256231804023,
"density_atomic": 0.08501240265491525,
"volume": 235.25979004716015,
"volume_molar": 7.083837854160227,
"formula_full": "Sr2 Ca2 Ti4 O12",
"formula_reduced": "SrCaTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1881014396666667,
"spacegroup": 26
},
{
"id": "jvasp-117194",
"created_at": "2022-09-04T14:38:51.432909Z",
"updated_at": "2022-09-04T14:38:51.432929Z",
"structure_string": "Sr3 Ca1 Sn4 O12\n1.0\n8.111483 -0.000000 0.000000\n0.000000 5.712405 -0.001220\n-0.000000 -0.006178 5.782593\nSr Ca Sn O\n3 1 4 12\ndirect\n-0.000000 0.005787 0.963966 Sr\n0.500000 0.508825 0.533714 Sr\n0.500000 0.989966 0.040470 Sr\n-0.000000 0.489312 0.451159 Ca\n0.248084 0.500330 0.997995 Sn\n0.752556 0.999307 0.500528 Sn\n0.751916 0.500330 0.997995 Sn\n0.247444 0.999307 0.500528 Sn\n-0.000000 0.900214 0.518427 O\n-0.000000 0.577279 0.041157 O\n0.197835 0.298233 0.702900 O\n0.792568 0.212094 0.213400 O\n0.707994 0.710707 0.287408 O\n0.802165 0.298233 0.702900 O\n0.292006 0.710707 0.287408 O\n0.711384 0.794694 0.792462 O\n0.500000 0.421411 0.975065 O\n0.207432 0.212094 0.213400 O\n0.288616 0.794694 0.792462 O\n0.500000 0.076481 0.486651 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Sn",
"O"
],
"chemical_system": "Ca-O-Sn-Sr",
"density": 6.010026967815802,
"density_atomic": 0.07464285042216234,
"volume": 267.9426078570784,
"volume_molar": 8.06794050058404,
"formula_full": "Sr3 Ca1 Sn4 O12",
"formula_reduced": "Sr3Ca(SnO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.6769119075,
"spacegroup": 6
},
{
"id": "jvasp-119146",
"created_at": "2022-09-04T14:38:51.257469Z",
"updated_at": "2022-09-04T14:38:51.257493Z",
"structure_string": "Sr1 Ca3 Ru4 O12\n1.0\n7.745808 -0.000000 0.000000\n0.000000 5.417084 0.005988\n-0.000000 -0.001742 5.584058\nSr Ca Ru O\n1 3 4 12\ndirect\n0.500000 0.490796 0.546630 Sr\n0.500000 0.015520 0.054993 Ca\n-0.000000 0.513331 0.440360 Ca\n-0.000000 0.986010 0.945001 Ca\n0.247139 0.000552 0.500322 Ru\n0.752446 0.499273 0.999415 Ru\n0.752862 0.000552 0.500322 Ru\n0.247554 0.499273 0.999415 Ru\n0.500000 0.930506 0.471120 O\n0.500000 0.594629 0.991110 O\n0.285894 0.294866 0.290662 O\n0.704945 0.193702 0.801990 O\n0.798929 0.697581 0.701983 O\n0.714106 0.294866 0.290662 O\n0.201071 0.697581 0.701983 O\n0.801595 0.798851 0.204055 O\n-0.000000 0.404137 0.022123 O\n0.295055 0.193702 0.801990 O\n0.198405 0.798851 0.204055 O\n-0.000000 0.095415 0.531817 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Ru",
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],
"chemical_system": "Ca-O-Ru-Sr",
"density": 5.698903013798354,
"density_atomic": 0.08535866765923492,
"volume": 234.30543784777794,
"volume_molar": 7.055101637763751,
"formula_full": "Sr1 Ca3 Ru4 O12",
"formula_reduced": "SrCa3(RuO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7450200785,
"spacegroup": 6
},
{
"id": "jvasp-112639",
"created_at": "2022-09-04T14:38:42.354639Z",
"updated_at": "2022-09-04T14:38:42.354672Z",
"structure_string": "Sr2 Ca2 Pb2 O8\n1.0\n3.472213 -0.000000 0.000000\n0.000000 6.039183 0.047416\n-0.000000 0.008256 10.032165\nSr Ca Pb O\n2 2 2 8\ndirect\n0.500000 0.424422 0.184849 Sr\n0.500000 0.575578 0.815151 Sr\n0.500000 0.927458 0.322776 Ca\n0.500000 0.072542 0.677224 Ca\n-0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n-0.000000 0.121486 0.203637 O\n-0.000000 0.878514 0.796363 O\n-0.000000 0.652053 0.306272 O\n-0.000000 0.347947 0.693728 O\n0.500000 0.262287 0.449254 O\n0.500000 0.737713 0.550745 O\n0.500000 0.766488 0.047000 O\n0.500000 0.233513 0.953000 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ca-O-Pb-Sr",
"density": 6.2974094292829275,
"density_atomic": 0.06655054659344228,
"volume": 210.366416455241,
"volume_molar": 9.048972650501726,
"formula_full": "Sr2 Ca2 Pb2 O8",
"formula_reduced": "SrCaPbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.114065935714286,
"spacegroup": 10
},
{
"id": "jvasp-110087",
"created_at": "2022-09-04T14:38:27.188774Z",
"updated_at": "2022-09-04T14:38:27.188784Z",
"structure_string": "Sr2 Ca1 Os1 O6\n1.0\n5.063115 -0.000000 2.923191\n1.687705 4.773551 2.923191\n-0.000000 -0.000000 5.846382\nSr Ca Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.749999 Sr\n0.500001 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Os\n0.767044 0.232956 0.232956 O\n0.232957 0.767043 0.767043 O\n0.232957 0.767043 0.232956 O\n0.767044 0.232956 0.767043 O\n0.232957 0.232956 0.767043 O\n0.767045 0.767043 0.232955 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ca-O-Os-Sr",
"density": 5.89402448864182,
"density_atomic": 0.07077069373270692,
"volume": 141.30142679919027,
"volume_molar": 8.5093708177356,
"formula_full": "Sr2 Ca1 Os1 O6",
"formula_reduced": "Sr2CaOsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0122379040000005,
"spacegroup": 225
},
{
"id": "jvasp-11727",
"created_at": "2022-09-04T14:38:10.313927Z",
"updated_at": "2022-09-04T14:38:10.313948Z",
"structure_string": "Sr2 Ca1 Mo1 O6\n1.0\n5.073671 -0.000000 2.929285\n1.691224 4.783503 2.929285\n-0.000000 0.000000 5.858570\nSr Ca Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.749999 Sr\n0.500000 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Mo\n0.231501 0.768498 0.768498 O\n0.231501 0.768498 0.231501 O\n0.768498 0.231502 0.768498 O\n0.231502 0.231502 0.768498 O\n0.768498 0.231502 0.231501 O\n0.768498 0.768498 0.231501 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Mo",
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],
"chemical_system": "Ca-Mo-O-Sr",
"density": 4.756143028519706,
"density_atomic": 0.07032990386926816,
"volume": 142.18702784790338,
"volume_molar": 8.562702959461141,
"formula_full": "Sr2 Ca1 Mo1 O6",
"formula_reduced": "Sr2CaMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.972631994,
"spacegroup": 225
},
{
"id": "jvasp-116647",
"created_at": "2022-09-04T14:38:52.438108Z",
"updated_at": "2022-09-04T14:38:52.438127Z",
"structure_string": "Sr2 Ca2 Mn4 O12\n1.0\n6.208415 -0.009773 2.135893\n-3.117452 5.308051 2.283173\n-0.122867 -0.009777 6.564403\nSr Ca Mn O\n2 2 4 12\ndirect\n0.500003 0.000003 -0.000003 Sr\n0.000002 0.000003 0.499997 Sr\n0.499989 0.499983 0.499988 Ca\n-0.000008 0.499984 -0.000011 Ca\n0.500017 -0.000014 0.499976 Mn\n0.000018 0.499997 0.499966 Mn\n0.000018 -0.000014 -0.000024 Mn\n0.500019 0.499998 -0.000035 Mn\n0.750005 0.296491 0.453513 O\n0.249990 0.296484 0.953533 O\n0.038849 0.788858 0.250010 O\n0.538840 0.788860 0.750018 O\n-0.038864 0.211150 0.750014 O\n0.250005 0.500006 0.250026 O\n0.749983 -0.000008 0.250019 O\n0.250000 0.000022 0.750005 O\n0.750004 0.703523 0.046481 O\n0.749988 0.500003 0.750011 O\n0.461142 0.211149 0.250009 O\n0.249989 0.703518 0.546501 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ca-Mn-O-Sr",
"density": 5.088095264620371,
"density_atomic": 0.0918583232420298,
"volume": 217.72659563253376,
"volume_molar": 6.555901030473598,
"formula_full": "Sr2 Ca2 Mn4 O12",
"formula_reduced": "SrCaMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.379195221275862,
"spacegroup": 65
},
{
"id": "jvasp-116648",
"created_at": "2022-09-04T14:38:41.518160Z",
"updated_at": "2022-09-04T14:38:41.518188Z",
"structure_string": "Sr2 Ca2 Mn4 O12\n1.0\n5.361616 -0.000000 0.000000\n0.000000 5.362650 0.000000\n-0.000000 -0.000000 7.577617\nSr Ca Mn O\n2 2 4 12\ndirect\n0.018965 0.247904 0.500000 Sr\n0.518965 0.752096 0.500000 Sr\n0.965078 0.256025 -0.000000 Ca\n0.465078 0.743975 -0.000000 Ca\n0.492623 0.246548 0.755351 Mn\n-0.007377 0.753452 0.244649 Mn\n0.492623 0.246548 0.244649 Mn\n-0.007377 0.753452 0.755351 Mn\n0.017414 0.817989 -0.000000 O\n0.517414 0.182011 -0.000000 O\n0.722132 0.532028 0.788751 O\n0.222132 0.467972 0.211249 O\n0.283067 0.969508 0.269855 O\n0.722132 0.532028 0.211249 O\n0.283067 0.969508 0.730146 O\n0.783068 0.030492 0.269855 O\n0.502904 0.294044 0.500000 O\n0.222132 0.467972 0.788751 O\n0.783068 0.030492 0.730146 O\n0.002903 0.705956 0.500000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ca-Mn-O-Sr",
"density": 5.08462473381012,
"density_atomic": 0.09179566774436133,
"volume": 217.87520578528094,
"volume_molar": 6.5603757867646415,
"formula_full": "Sr2 Ca2 Mn4 O12",
"formula_reduced": "SrCaMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.377509221275861,
"spacegroup": 26
}
]
}