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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=895",
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"results": [
{
"id": "jvasp-116798",
"created_at": "2022-09-04T14:38:52.532421Z",
"updated_at": "2022-09-04T14:38:52.532446Z",
"structure_string": "Sr4 Co4 O10\n1.0\n5.202169 0.081045 -7.427228\n-0.406628 5.141660 -7.458608\n-0.111582 -0.081045 9.067184\nSr Co O\n4 4 10\ndirect\n0.615792 0.620583 0.015835 Sr\n0.384208 0.400043 0.004791 Sr\n0.104748 0.120584 0.004792 Sr\n0.895252 0.900043 0.015835 Sr\n0.500000 0.009684 0.509684 Co\n0.000000 0.509684 0.509684 Co\n0.680243 0.221191 0.401433 Co\n0.319758 0.721192 0.540949 Co\n0.874522 0.374381 0.536927 O\n0.125478 0.662407 0.499860 O\n0.337454 0.874382 0.499860 O\n0.662547 0.162407 0.536927 O\n0.748405 0.256655 0.009679 O\n0.746976 0.756656 0.508250 O\n0.251595 0.261275 0.508251 O\n0.629271 0.882748 0.012018 O\n0.253023 0.761274 0.009679 O\n0.370728 0.382748 0.253476 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-O-Sr",
"density": 5.267346576303227,
"density_atomic": 0.07651667885581982,
"volume": 235.24282900356081,
"volume_molar": 7.870363494666965,
"formula_full": "Sr4 Co4 O10",
"formula_reduced": "Sr2Co2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.0749713244444448,
"spacegroup": 46
},
{
"id": "jvasp-23297",
"created_at": "2022-09-04T14:37:52.381948Z",
"updated_at": "2022-09-04T14:37:52.381961Z",
"structure_string": "Sr4 Co2 Se6 O18\n1.0\n7.145161 -0.043212 -0.003347\n-0.765716 7.728670 0.039019\n-2.258560 -2.215930 8.031710\nSr Co Se O\n4 2 6 18\ndirect\n0.620974 0.486426 0.806958 Sr\n0.379026 0.513574 0.193042 Sr\n0.759963 0.912182 0.604884 Sr\n0.240036 0.087818 0.395115 Sr\n0.090939 0.340725 0.751131 Co\n0.909061 0.659275 0.248869 Co\n0.781627 0.365307 0.410168 Se\n0.102229 0.796030 0.966870 Se\n0.629608 0.923183 0.198232 Se\n0.897770 0.203970 0.033130 Se\n0.218372 0.634694 0.589831 Se\n0.370391 0.076817 0.801768 Se\n0.815567 0.408182 0.072716 O\n0.336695 0.296930 0.887907 O\n0.849668 0.000309 0.352558 O\n0.518187 0.128554 0.683431 O\n0.481812 0.871446 0.316569 O\n0.127694 0.243993 0.169520 O\n0.872305 0.756007 0.830480 O\n0.184432 0.591818 0.927284 O\n0.229005 0.406815 0.599783 O\n0.059479 0.806353 0.158192 O\n0.533272 0.290493 0.351578 O\n0.466728 0.709507 0.648422 O\n0.770994 0.593185 0.400217 O\n0.663305 0.703070 0.112093 O\n0.839193 0.381226 0.622702 O\n0.160807 0.618774 0.377298 O\n0.940520 0.193647 0.841807 O\n0.150332 -0.000309 0.647441 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Se",
"O"
],
"chemical_system": "Co-O-Se-Sr",
"density": 4.602328153118789,
"density_atomic": 0.06759442484799946,
"volume": 443.82358556140423,
"volume_molar": 8.909227016195599,
"formula_full": "Sr4 Co2 Se6 O18",
"formula_reduced": "Sr2Co(SeO3)3",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.213942341333333,
"spacegroup": 2
},
{
"id": "jvasp-98114",
"created_at": "2022-09-04T14:36:08.780433Z",
"updated_at": "2022-09-04T14:36:08.780455Z",
"structure_string": "Sr4 Co2 Se4 Cl4 O12\n1.0\n5.377288 0.000000 -0.250177\n0.000000 6.439534 0.000000\n-0.054835 0.000000 12.280490\nSr Co Se Cl O\n4 2 4 4 12\ndirect\n0.012385 0.302838 0.234444 Sr\n0.987614 0.697162 0.765556 Sr\n0.487614 0.802838 0.265556 Sr\n0.512385 0.197162 0.734444 Sr\n-0.000000 0.000000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.992746 0.763863 0.072093 Se\n0.492745 0.736136 0.572093 Se\n0.507254 0.263863 0.427906 Se\n0.007254 0.236137 0.927907 Se\n0.049087 0.330918 0.605052 Cl\n0.549087 0.169082 0.105052 Cl\n0.450912 0.830918 0.894948 Cl\n0.950913 0.669081 0.394948 Cl\n0.222150 0.573718 0.103533 O\n0.257034 0.377833 0.878785 O\n0.437776 0.429961 0.322612 O\n0.742965 0.622166 0.121215 O\n0.242964 0.877833 0.621215 O\n0.722150 0.926281 0.603533 O\n0.777849 0.426281 0.896466 O\n0.562224 0.570039 0.677388 O\n0.277850 0.073718 0.396467 O\n0.937775 0.070039 0.822612 O\n0.757035 0.122166 0.378785 O\n0.062224 0.929960 0.177388 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Co",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Co-O-Se-Sr",
"density": 4.366608702876507,
"density_atomic": 0.0611547429817332,
"volume": 425.15099781820925,
"volume_molar": 9.84738135813734,
"formula_full": "Sr4 Co2 Se4 Cl4 O12",
"formula_reduced": "Sr2CoSe2(ClO3)2",
"formula_anonymous": "AB2C2D2E6",
"energy_above_hull": 1.7177322606410257,
"spacegroup": 14
},
{
"id": "jvasp-9495",
"created_at": "2022-09-04T14:38:08.311852Z",
"updated_at": "2022-09-04T14:38:08.311881Z",
"structure_string": "Sr4 Co2 S2 O6\n1.0\n3.934081 0.000000 0.000000\n0.000000 3.934251 0.000000\n0.000000 0.000000 13.502760\nSr Co S O\n4 2 2 6\ndirect\n0.000000 0.500000 0.141361 Sr\n0.500000 0.000000 0.858639 Sr\n0.000000 0.500000 0.400723 Sr\n0.500000 0.000000 0.599276 Sr\n0.500000 0.000000 0.273984 Co\n0.000000 0.500000 0.726016 Co\n0.500000 0.000000 0.092247 S\n0.000000 0.500000 0.907754 S\n0.000000 0.000000 0.271048 O\n0.500000 0.500000 0.271052 O\n0.500000 0.500000 0.728953 O\n0.000000 0.000000 0.728948 O\n0.500000 0.000000 0.416807 O\n0.000000 0.500000 0.583194 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Co",
"S",
"O"
],
"chemical_system": "Co-O-S-Sr",
"density": 4.993530042227721,
"density_atomic": 0.06698848034386139,
"volume": 208.99115680988749,
"volume_molar": 8.989815456459821,
"formula_full": "Sr4 Co2 S2 O6",
"formula_reduced": "Sr2CoSO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.5495420028571434,
"spacegroup": 129
},
{
"id": "jvasp-112772",
"created_at": "2022-09-04T14:38:43.184340Z",
"updated_at": "2022-09-04T14:38:43.184364Z",
"structure_string": "Sr4 Co2 Cl2 O6\n1.0\n3.838179 -0.000000 0.000000\n0.000000 3.838179 0.000000\n-0.000000 -0.000000 14.616739\nSr Co Cl O\n4 2 2 6\ndirect\n-0.000000 0.500000 0.093754 Sr\n0.500000 0.000000 0.906246 Sr\n-0.000000 0.500000 0.341472 Sr\n0.500000 0.000000 0.658528 Sr\n0.500000 0.000000 0.209476 Co\n-0.000000 0.500000 0.790525 Co\n0.500000 0.000000 0.424992 Cl\n-0.000000 0.500000 0.575008 Cl\n-0.000000 0.500000 0.925272 O\n0.500000 0.000000 0.074728 O\n0.500000 0.500000 0.772652 O\n0.500000 0.500000 0.227348 O\n0.000000 0.000000 0.227348 O\n0.000000 0.000000 0.772652 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Co",
"Cl",
"O"
],
"chemical_system": "Cl-Co-O-Sr",
"density": 4.898825862146976,
"density_atomic": 0.06501702502271826,
"volume": 215.32821588050388,
"volume_molar": 9.262405897371869,
"formula_full": "Sr4 Co2 Cl2 O6",
"formula_reduced": "Sr2CoClO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.2117754410714288,
"spacegroup": 129
},
{
"id": "jvasp-11402",
"created_at": "2022-09-04T14:38:15.140357Z",
"updated_at": "2022-09-04T14:38:15.140383Z",
"structure_string": "Sr4 Ce2 O8\n1.0\n3.621732 0.000000 0.000000\n0.000000 6.142246 0.000000\n0.000000 0.000000 10.376139\nSr Ce O\n4 2 8\ndirect\n0.500000 0.436562 0.179307 Sr\n0.500000 0.563439 0.820693 Sr\n0.500000 0.936562 0.320693 Sr\n0.500000 0.063438 0.679307 Sr\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.273496 0.456934 O\n0.500000 0.726505 0.543067 O\n0.500000 0.773496 0.043066 O\n0.500000 0.226504 0.956934 O\n0.000000 0.643697 0.305225 O\n0.000000 0.356304 0.694775 O\n0.000000 0.856304 0.805225 O\n0.000000 0.143697 0.194775 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"O"
],
"chemical_system": "Ce-O-Sr",
"density": 5.458131634918953,
"density_atomic": 0.06065250442440757,
"volume": 230.8231149374628,
"volume_molar": 9.92892349153614,
"formula_full": "Sr4 Ce2 O8",
"formula_reduced": "Sr2CeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2651774457142857,
"spacegroup": 55
},
{
"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",
"nsites": 44,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"P",
"O"
],
"chemical_system": "Cd-O-P-Sr",
"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-88839",
"created_at": "2022-09-04T14:38:12.052681Z",
"updated_at": "2022-09-04T14:38:12.052706Z",
"structure_string": "Sr4 Cd2 W2 O12\n1.0\n5.813143 0.000000 0.000000\n0.000000 5.956277 0.000000\n0.000000 0.000000 8.268612\nSr Cd W O\n4 2 2 12\ndirect\n0.000000 0.511715 0.256893 Sr\n0.000000 0.511715 0.743107 Sr\n0.500000 0.950287 0.243107 Sr\n0.500000 0.950287 0.756893 Sr\n0.500000 0.464848 0.000000 Cd\n0.000000 -0.002849 0.500000 Cd\n0.000000 0.974363 0.000000 W\n0.500000 0.487636 0.500000 W\n0.232474 0.736877 0.000000 O\n0.767526 0.736877 0.000000 O\n0.500000 0.506072 0.732624 O\n0.261182 0.269161 0.500000 O\n0.738818 0.269161 0.500000 O\n0.267526 0.725123 0.500000 O\n0.732473 0.725123 0.500000 O\n0.000000 0.955930 0.232627 O\n0.000000 0.955930 0.767373 O\n0.500000 0.506072 0.267376 O\n0.238821 0.192838 0.000000 O\n0.761179 0.192838 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"W",
"O"
],
"chemical_system": "Cd-O-Sr-W",
"density": 6.582893210083024,
"density_atomic": 0.06985725063299739,
"volume": 286.2981268053643,
"volume_molar": 8.620638094731163,
"formula_full": "Sr4 Cd2 W2 O12",
"formula_reduced": "Sr2CdWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.062871337,
"spacegroup": 59
},
{
"id": "jvasp-96645",
"created_at": "2022-09-04T14:36:13.252930Z",
"updated_at": "2022-09-04T14:36:13.252948Z",
"structure_string": "Sr4 Cd2 W2 O12\n1.0\n5.766394 0.000000 -0.002812\n0.000000 5.913395 0.000000\n0.011217 0.000000 8.184344\nSr Cd W O\n4 2 2 12\ndirect\n0.010166 0.547006 0.251596 Sr\n0.489834 0.047006 0.248404 Sr\n0.989833 0.452995 0.748404 Sr\n0.510166 0.952995 0.751596 Sr\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.586426 0.470559 0.271538 O\n0.913574 0.970560 0.228462 O\n0.680110 0.229946 0.549756 O\n0.272705 0.815129 0.040818 O\n0.227295 0.315129 0.459182 O\n0.727295 0.184872 0.959182 O\n0.772705 0.684872 0.540818 O\n0.180110 0.270054 0.049756 O\n0.319890 0.770055 0.450244 O\n0.819890 0.729946 0.950244 O\n0.086426 0.029441 0.771538 O\n0.413574 0.529442 0.728461 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"W",
"O"
],
"chemical_system": "Cd-O-Sr-W",
"density": 6.753205230838813,
"density_atomic": 0.07166459113512279,
"volume": 279.0778497890293,
"volume_molar": 8.403230472138354,
"formula_full": "Sr4 Cd2 W2 O12",
"formula_reduced": "Sr2CdWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.054565337,
"spacegroup": 14
},
{
"id": "jvasp-40306",
"created_at": "2022-09-04T14:37:55.175911Z",
"updated_at": "2022-09-04T14:37:55.175935Z",
"structure_string": "Sr4 Cd2 As4\n1.0\n4.474496 0.000000 0.000000\n0.000000 0.000000 7.601315\n2.237248 -8.514178 0.000000\nSr Cd As\n4 2 4\ndirect\n0.466085 0.263015 0.067834 Sr\n0.297543 0.607490 0.404916 Sr\n0.702459 0.107489 0.595084 Sr\n0.533919 0.763015 0.932166 Sr\n0.903466 0.921822 0.193073 Cd\n0.096537 0.421821 0.806927 Cd\n0.935930 0.555439 0.128144 As\n0.323264 0.017879 0.353475 As\n0.676739 0.517879 0.646525 As\n0.064073 0.055438 0.871855 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"As"
],
"chemical_system": "As-Cd-Sr",
"density": 5.017366354398662,
"density_atomic": 0.034532213731197525,
"volume": 289.5846781744454,
"volume_molar": 17.4391969390581,
"formula_full": "Sr4 Cd2 As4",
"formula_reduced": "Sr2CdAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.1734042429999998,
"spacegroup": 36
},
{
"id": "jvasp-10081",
"created_at": "2022-09-04T14:38:04.888486Z",
"updated_at": "2022-09-04T14:38:04.888519Z",
"structure_string": "Sr4 Ca4 Si4\n1.0\n4.919385 -0.000000 0.000000\n0.000000 8.047715 0.000000\n0.000000 0.000000 9.076236\nSr Ca Si\n4 4 4\ndirect\n0.250000 0.521532 0.179981 Sr\n0.250000 0.021532 0.320019 Sr\n0.749999 0.978469 0.679981 Sr\n0.749999 0.478468 0.820019 Sr\n0.749999 0.351730 0.425657 Ca\n0.250000 0.148271 0.925658 Ca\n0.749999 0.851730 0.074343 Ca\n0.250000 0.648271 0.574343 Ca\n0.250000 0.767455 0.894598 Si\n0.250000 0.267455 0.605402 Si\n0.749999 0.232545 0.105402 Si\n0.749999 0.732546 0.394598 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Si"
],
"chemical_system": "Ca-Si-Sr",
"density": 2.879661004327708,
"density_atomic": 0.033395816466706724,
"volume": 359.32644473487136,
"volume_molar": 18.0326202415313,
"formula_full": "Sr4 Ca4 Si4",
"formula_reduced": "SrCaSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4493217766666664,
"spacegroup": 62
},
{
"id": "jvasp-12363",
"created_at": "2022-09-04T14:38:34.515655Z",
"updated_at": "2022-09-04T14:38:34.515672Z",
"structure_string": "Sr4 Ca4 Pb4\n1.0\n5.191215 -0.000000 0.000000\n0.000000 8.433141 0.000000\n0.000000 0.000000 9.623409\nSr Ca Pb\n4 4 4\ndirect\n0.750001 0.979378 0.683178 Sr\n0.250000 0.020622 0.316823 Sr\n0.750001 0.479378 0.816823 Sr\n0.250000 0.520622 0.183178 Sr\n0.750001 0.850118 0.071641 Ca\n0.250000 0.149881 0.928359 Ca\n0.750001 0.350119 0.428359 Ca\n0.250000 0.649881 0.571641 Ca\n0.750001 0.736325 0.392109 Pb\n0.250000 0.263675 0.607891 Pb\n0.750001 0.236325 0.107891 Pb\n0.250000 0.763675 0.892109 Pb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Pb"
],
"chemical_system": "Ca-Pb-Sr",
"density": 5.280004845477282,
"density_atomic": 0.02848353743880338,
"volume": 421.2959863493743,
"volume_molar": 21.142531095158088,
"formula_full": "Sr4 Ca4 Pb4",
"formula_reduced": "SrCaPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}