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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1170",
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"results": [
{
"id": "jvasp-59172",
"created_at": "2022-09-04T14:38:36.355672Z",
"updated_at": "2022-09-04T14:38:36.355687Z",
"structure_string": "Rb12 Co4 O8\n1.0\n6.164626 0.000000 0.000000\n-0.000000 7.670757 0.000000\n0.000000 0.000000 12.274174\nRb Co O\n12 4 8\ndirect\n0.792003 0.750000 0.100089 Rb\n0.320796 0.999112 0.138250 Rb\n0.179204 0.500889 0.638249 Rb\n0.679204 0.499112 0.861750 Rb\n0.179204 0.999112 0.638249 Rb\n0.679204 0.000889 0.861750 Rb\n0.820797 0.000889 0.361750 Rb\n0.320796 0.500889 0.138250 Rb\n0.707998 0.750000 0.600088 Rb\n0.207998 0.250000 0.899911 Rb\n0.292003 0.250000 0.399911 Rb\n0.820797 0.499112 0.361750 Rb\n0.193601 0.750000 0.881611 Co\n0.693601 0.250000 0.618388 Co\n0.806400 0.250000 0.118388 Co\n0.306400 0.750000 0.381612 Co\n0.516618 0.750000 0.285425 O\n0.587448 0.250000 0.027523 O\n0.087448 0.750000 0.472477 O\n0.412552 0.750000 0.972477 O\n0.912553 0.250000 0.527523 O\n0.016617 0.250000 0.214575 O\n0.483383 0.250000 0.714575 O\n0.983383 0.750000 0.785425 O\n",
"nsites": 24,
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"Co",
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],
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"volume": 580.413137864619,
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"formula_full": "Rb12 Co4 O8",
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"formula_anonymous": "AB2C3",
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"spacegroup": 62
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{
"id": "jvasp-36329",
"created_at": "2022-09-04T14:37:14.904040Z",
"updated_at": "2022-09-04T14:37:14.904051Z",
"structure_string": "Na1 As1\n1.0\n3.017438 0.000000 0.000000\n0.000000 3.017438 0.000000\n-0.000000 -0.000000 4.492206\nNa As\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
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"elements": [
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],
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"density": 3.975079762162804,
"density_atomic": 0.04889828432444195,
"volume": 40.90123053663652,
"volume_molar": 12.315648377441773,
"formula_full": "Na1 As1",
"formula_reduced": "NaAs",
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"spacegroup": 123
},
{
"id": "jvasp-86545",
"created_at": "2022-09-04T14:35:43.676899Z",
"updated_at": "2022-09-04T14:35:43.676926Z",
"structure_string": "La2 B4 Cl2 O8\n1.0\n4.257664 0.001656 0.055199\n2.035360 6.257138 0.908575\n-0.001792 0.001461 8.154298\nLa B Cl O\n2 4 2 8\ndirect\n0.213967 0.030638 0.222506 La\n0.786033 0.969363 0.777494 La\n0.166131 0.350616 0.853124 B\n0.437431 0.436238 0.193654 B\n0.833868 0.649385 0.146875 B\n0.562568 0.563763 0.806346 B\n0.145245 0.205318 0.541713 Cl\n0.854754 0.794683 0.458286 Cl\n0.900185 0.536031 0.823893 O\n0.477249 0.375686 0.818774 O\n0.635213 0.235332 0.209418 O\n0.522750 0.624315 0.181226 O\n0.364786 0.764668 0.790581 O\n0.099814 0.463969 0.176106 O\n0.838081 0.845402 0.079647 O\n0.161918 0.154598 0.920353 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"La",
"B",
"Cl",
"O"
],
"chemical_system": "B-Cl-La-O",
"density": 3.975088487944328,
"density_atomic": 0.07366326680132351,
"volume": 217.20459456615527,
"volume_molar": 8.175229013725739,
"formula_full": "La2 B4 Cl2 O8",
"formula_reduced": "LaB2ClO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 2
},
{
"id": "jvasp-114141",
"created_at": "2022-09-04T14:38:40.047301Z",
"updated_at": "2022-09-04T14:38:40.047329Z",
"structure_string": "Sn1 C1 I1\n1.0\n3.743096 -0.000000 0.000000\n0.000000 3.743096 -0.000000\n0.000000 -0.000000 7.681106\nSn C I\n1 1 1\ndirect\n0.000000 0.000000 0.052460 Sn\n0.000000 0.000000 0.312134 C\n0.000000 0.000000 0.570418 I\n",
"nsites": 3,
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"elements": [
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"C",
"I"
],
"chemical_system": "C-I-Sn",
"density": 3.9751333213475992,
"density_atomic": 0.02787632793316852,
"volume": 107.6181915778966,
"volume_molar": 21.603063267291326,
"formula_full": "Sn1 C1 I1",
"formula_reduced": "SnCI",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-11161",
"created_at": "2022-09-04T14:37:19.802430Z",
"updated_at": "2022-09-04T14:37:19.802456Z",
"structure_string": "K1 Rb2 Rh1 F6\n1.0\n5.471651 -0.000000 3.159059\n1.823884 5.158722 3.159059\n-0.000000 -0.000000 6.318118\nK Rb Rh F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Rh\n0.223350 0.776650 0.776651 F\n0.223350 0.776650 0.223351 F\n0.776650 0.223350 0.776650 F\n0.223350 0.223350 0.776650 F\n0.776650 0.223350 0.223350 F\n0.776649 0.776650 0.223351 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Rb",
"Rh",
"F"
],
"chemical_system": "F-K-Rb-Rh",
"density": 3.975184960614137,
"density_atomic": 0.05607273680949349,
"volume": 178.339788085873,
"volume_molar": 10.739873069616984,
"formula_full": "K1 Rb2 Rh1 F6",
"formula_reduced": "KRb2RhF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-9509",
"created_at": "2022-09-04T14:37:17.962236Z",
"updated_at": "2022-09-04T14:37:17.962262Z",
"structure_string": "Mg2 Fe2 Si2 O10\n1.0\n5.015743 -0.288344 0.107276\n-1.486464 5.163625 -0.059771\n-1.448185 -2.234944 6.155539\nMg Fe Si O\n2 2 2 10\ndirect\n0.363851 0.215928 0.779175 Mg\n0.644651 0.773924 0.249921 Mg\n0.004249 0.494920 0.514557 Fe\n0.004253 0.494923 0.014557 Fe\n0.700083 0.817515 0.757848 Si\n0.308417 0.172333 0.271262 Si\n0.703064 0.632164 0.920914 O\n0.990778 0.850864 0.668321 O\n0.305433 0.357681 0.108195 O\n0.017717 0.138981 0.360787 O\n0.597804 0.291359 0.487150 O\n0.304802 0.865653 0.134503 O\n0.410694 0.698486 0.541964 O\n0.703694 0.124192 0.894609 O\n0.898485 0.549451 0.263918 O\n0.110013 0.440393 0.765195 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Mg-O-Si",
"density": 3.9754172278775357,
"density_atomic": 0.10174872940339567,
"volume": 157.25012089896455,
"volume_molar": 5.918639766128639,
"formula_full": "Mg2 Fe2 Si2 O10",
"formula_reduced": "MgFeSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.29657758125,
"spacegroup": 2
},
{
"id": "jvasp-10924",
"created_at": "2022-09-04T14:37:19.240486Z",
"updated_at": "2022-09-04T14:37:19.240508Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n0.000000 4.478341 -0.000128\n3.490365 0.000000 0.000000\n0.000000 -0.000397 -11.446555\nMg Mn O\n2 4 10\ndirect\n0.092230 0.499999 0.750008 Mg\n0.907770 0.000000 0.249993 Mg\n0.550404 0.000000 0.900830 Mn\n0.449595 0.499999 0.099171 Mn\n0.449597 0.499999 0.400826 Mn\n0.550403 0.000000 0.599174 Mn\n0.594255 0.499999 0.249998 O\n0.405745 0.000000 0.750002 O\n0.432736 0.499999 0.923859 O\n0.567263 0.000000 0.076142 O\n0.432723 0.499999 0.576145 O\n0.567277 0.000000 0.423856 O\n0.923419 0.000000 0.633992 O\n0.076581 0.499999 0.366009 O\n0.076576 0.499999 0.133982 O\n0.923423 0.000000 0.866019 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.9754960841093934,
"density_atomic": 0.0894246354241335,
"volume": 178.92161286555267,
"volume_molar": 6.734319610516158,
"formula_full": "Mg2 Mn4 O10",
"formula_reduced": "MgMn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.6287426290948277,
"spacegroup": 59
},
{
"id": "jvasp-111900",
"created_at": "2022-09-04T14:38:27.965203Z",
"updated_at": "2022-09-04T14:38:27.965224Z",
"structure_string": "Na4 Mn4 As4 O16\n1.0\n5.215069 0.000000 0.000000\n-0.000000 6.405606 0.000000\n0.000000 0.000000 10.845082\nNa Mn As O\n4 4 4 16\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.491560 0.250000 0.219143 Mn\n0.991560 0.750001 0.280857 Mn\n0.508441 0.750001 0.780857 Mn\n0.008440 0.250000 0.719143 Mn\n0.555965 0.250000 0.896130 As\n0.055965 0.750001 0.603869 As\n0.444035 0.750001 0.103869 As\n0.944035 0.250000 0.396130 As\n0.328923 0.750001 0.954110 O\n0.828923 0.250000 0.545889 O\n0.271690 0.250000 0.389447 O\n0.771690 0.750001 0.110553 O\n0.728310 0.750001 0.610553 O\n0.228310 0.250000 0.889447 O\n0.794774 0.458845 0.322579 O\n0.794774 0.041155 0.322579 O\n0.205226 0.958845 0.677421 O\n0.705226 0.041155 0.822579 O\n0.205226 0.541156 0.677421 O\n0.705226 0.458845 0.822579 O\n0.171077 0.750001 0.454110 O\n0.294774 0.958845 0.177421 O\n0.294774 0.541156 0.177421 O\n0.671077 0.250000 0.045890 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"As",
"O"
],
"chemical_system": "As-Mn-Na-O",
"density": 3.9756616300014778,
"density_atomic": 0.0772867259733231,
"volume": 362.28730933258447,
"volume_molar": 7.7919470441517324,
"formula_full": "Na4 Mn4 As4 O16",
"formula_reduced": "NaMnAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.296223141625616,
"spacegroup": 62
},
{
"id": "jvasp-96851",
"created_at": "2022-09-04T14:36:02.193611Z",
"updated_at": "2022-09-04T14:36:02.193640Z",
"structure_string": "Rb4 P4 Pb4 S16\n1.0\n6.512040 0.000000 0.000000\n0.000000 6.749466 0.000000\n0.000000 0.000000 17.177215\nRb P Pb S\n4 4 4 16\ndirect\n0.006652 0.004970 0.042111 Rb\n0.506652 0.495030 0.957889 Rb\n0.993348 0.504970 0.457889 Rb\n0.493348 0.995031 0.542111 Rb\n0.221038 0.011281 0.347475 P\n0.278962 0.988720 0.847476 P\n0.721038 0.488719 0.652525 P\n0.778962 0.511281 0.152525 P\n0.213678 0.524132 0.728972 Pb\n0.713678 0.975869 0.271028 Pb\n0.786322 0.024132 0.771029 Pb\n0.286322 0.475868 0.228972 Pb\n0.461800 0.492624 0.584854 S\n0.389907 0.758228 0.367277 S\n0.849740 0.533074 0.270313 S\n0.594716 0.749267 0.126118 S\n0.094716 0.750734 0.873882 S\n0.650260 0.466927 0.770313 S\n0.110093 0.241773 0.867277 S\n0.150260 0.033073 0.229687 S\n0.961800 0.007376 0.415146 S\n0.889907 0.741773 0.632723 S\n0.905284 0.250734 0.626119 S\n0.405284 0.249266 0.373882 S\n0.538199 0.992625 0.915146 S\n0.349740 0.966927 0.729687 S\n0.038200 0.507376 0.084854 S\n0.610093 0.258228 0.132723 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Pb",
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],
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"density": 3.9757009193375814,
"density_atomic": 0.03708675252361791,
"volume": 754.986567836286,
"volume_molar": 16.237983512212153,
"formula_full": "Rb4 P4 Pb4 S16",
"formula_reduced": "RbPPbS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 19
},
{
"id": "jvasp-91715",
"created_at": "2022-09-04T14:36:16.692814Z",
"updated_at": "2022-09-04T14:36:16.692842Z",
"structure_string": "Ba1 Mg6 W1\n1.0\n6.567331 -1.759927 0.000000\n-4.807807 8.327366 0.000000\n0.000000 0.000000 4.219356\nBa Mg W\n1 6 1\ndirect\n0.249987 0.374993 0.250000 Ba\n0.750002 0.375027 0.250000 Mg\n0.750002 0.874973 0.250000 Mg\n0.250006 0.084269 0.750001 Mg\n0.250006 0.665739 0.750001 Mg\n0.668530 0.084265 0.750001 Mg\n0.831446 0.665723 0.750001 Mg\n0.250018 0.875009 0.250000 W\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.9757550742112073,
"density_atomic": 0.041015349892968345,
"volume": 195.0489273132232,
"volume_molar": 14.682651192090484,
"formula_full": "Ba1 Mg6 W1",
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"formula_anonymous": "ABC6",
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"spacegroup": 123
},
{
"id": "jvasp-76784",
"created_at": "2022-09-04T14:37:11.148045Z",
"updated_at": "2022-09-04T14:37:11.148067Z",
"structure_string": "Li2 Cd1 Ga1\n1.0\n-9.153952 -0.000000 -5.285037\n-6.052988 0.216948 -0.085992\n-5.171250 2.710879 -1.613206\nLi Cd Ga\n2 1 1\ndirect\n0.758234 -0.000001 0.000000 Li\n0.241767 -0.000000 0.000000 Li\n0.500000 -0.000001 0.000000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.04886254128318967,
"volume": 81.86229972807682,
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"formula_full": "Li2 Cd1 Ga1",
"formula_reduced": "Li2CdGa",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-119180",
"created_at": "2022-09-04T14:38:51.584816Z",
"updated_at": "2022-09-04T14:38:51.584838Z",
"structure_string": "In5 Ga5 S15\n1.0\n6.665352 0.001668 0.508406\n3.272617 5.742870 0.948584\n-0.074272 -0.065567 15.302621\nIn Ga S\n5 5 15\ndirect\n0.655458 0.668912 0.003536 In\n0.340407 0.322315 0.012530 In\n0.993713 0.016505 0.003824 In\n0.003204 0.416572 0.740469 In\n0.665893 0.082666 0.740056 In\n0.332463 0.925645 0.317080 Ga\n0.014582 0.574523 0.253892 Ga\n-0.024858 0.841414 0.447804 Ga\n0.687740 0.484311 0.447788 Ga\n0.331228 0.749035 0.753945 Ga\n0.671172 0.571627 0.289641 S\n0.324214 0.700790 0.901688 S\n0.666885 0.030853 0.903383 S\n0.003224 0.373379 0.903353 S\n0.030242 0.769736 0.678035 S\n0.333682 0.074381 0.676589 S\n0.331370 0.827859 0.471579 S\n0.329157 0.968240 0.092636 S\n0.666126 0.311390 0.092533 S\n0.993024 0.647448 0.091571 S\n0.356527 0.249927 0.278092 S\n0.671549 0.158854 0.499758 S\n0.993685 0.497085 0.497649 S\n0.638665 0.465062 0.680628 S\n-0.009179 0.915336 0.289838 S\n",
"nsites": 25,
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"elements": [
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],
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"density_atomic": 0.04264783551915896,
"volume": 586.1962206445176,
"volume_molar": 14.12062461480521,
"formula_full": "In5 Ga5 S15",
"formula_reduced": "InGaS3",
"formula_anonymous": "ABC3",
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"spacegroup": 1
}
]
}