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{
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"results": [
{
"id": "jvasp-35515",
"created_at": "2022-09-04T14:37:44.378455Z",
"updated_at": "2022-09-04T14:37:44.378465Z",
"structure_string": "Na2 Ti2 As2 O1\n1.0\n4.066652 -0.000000 0.000000\n-0.000000 4.066652 0.000000\n-2.033327 -2.033327 7.624783\nNa Ti As O\n2 2 2 1\ndirect\n0.181412 0.181412 0.362824 Na\n0.818587 0.818587 0.637176 Na\n-0.000000 0.500000 -0.000000 Ti\n0.500000 -0.000000 -0.000000 Ti\n0.380729 0.380729 0.761460 As\n0.619269 0.619269 0.238539 As\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:13.535934Z",
"updated_at": "2022-09-04T14:38:13.535960Z",
"structure_string": "Li4 Ti3 V3 Cr2 O16\n1.0\n5.830139 -0.000792 0.000540\n-2.914414 5.053909 0.002804\n-0.000963 -0.016588 9.521066\nLi Ti V Cr O\n4 3 3 2 16\ndirect\n0.669004 0.338023 0.893798 Li\n0.996468 0.992963 0.993911 Li\n-0.001945 -0.003875 0.498044 Li\n0.335061 0.670157 0.394016 Li\n0.340722 0.175861 0.215787 Ti\n0.835037 0.175783 0.215799 Ti\n0.166446 0.332904 0.717526 Ti\n0.650719 0.829839 0.709809 V\n0.179101 0.829837 0.709810 V\n0.830960 0.661887 0.208741 V\n0.669518 0.339053 0.487480 Cr\n0.334491 0.669004 0.984106 Cr\n0.164793 0.329619 0.100445 O\n0.163555 0.832284 0.103053 O\n0.328485 0.656985 0.596596 O\n0.479082 0.519627 0.840998 O\n0.040527 0.519630 0.841000 O\n0.835915 0.671847 0.604198 O\n0.962743 0.483419 0.340873 O\n0.521343 0.042718 0.340681 O\n0.832177 0.165901 0.601341 O\n-0.003481 -0.006938 0.809809 O\n0.001992 0.003993 0.313685 O\n0.661820 0.323647 0.099380 O\n0.482112 0.964242 0.841684 O\n0.333707 0.165900 0.601341 O\n0.520662 0.483431 0.340874 O\n0.668709 0.832264 0.103055 O\n",
"nsites": 28,
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"elements": [
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"density_atomic": 0.09981589086952763,
"volume": 280.516456408726,
"volume_molar": 6.033248521391972,
"formula_full": "Li4 Ti3 V3 Cr2 O16",
"formula_reduced": "Li4Ti3V3Cr2O16",
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{
"id": "jvasp-87844",
"created_at": "2022-09-04T14:36:15.598439Z",
"updated_at": "2022-09-04T14:36:15.598466Z",
"structure_string": "Cd8 P16\n1.0\n5.345925 -0.000000 0.000000\n-0.000000 5.345925 -0.000000\n-0.000000 -0.000000 20.012140\nCd P\n8 16\ndirect\n0.151810 0.625207 0.047653 Cd\n0.125208 0.348189 0.797653 Cd\n0.651810 0.874791 0.702347 Cd\n0.348189 0.125208 0.202347 Cd\n0.848189 0.374792 0.547653 Cd\n0.625207 0.151810 0.952347 Cd\n0.374792 0.848189 0.452347 Cd\n0.874791 0.651810 0.297653 Cd\n0.714755 0.192317 0.434823 P\n0.285244 0.807682 0.934823 P\n0.192317 0.714755 0.565177 P\n0.692316 0.785244 0.184823 P\n0.021707 0.020771 0.374149 P\n0.214756 0.307683 0.315177 P\n0.807682 0.285244 0.065177 P\n0.979228 0.978292 0.125851 P\n0.521707 0.479228 0.375851 P\n0.478292 0.520771 0.875851 P\n0.479228 0.521707 0.624149 P\n0.520771 0.478292 0.124149 P\n0.020771 0.021707 0.625851 P\n0.978292 0.979228 0.874149 P\n0.785244 0.692316 0.815177 P\n0.307683 0.214756 0.684823 P\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cd-P",
"density": 4.0498879985558025,
"density_atomic": 0.04196352728582293,
"volume": 571.9252301297423,
"volume_molar": 14.350892666819588,
"formula_full": "Cd8 P16",
"formula_reduced": "CdP2",
"formula_anonymous": "AB2",
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"spacegroup": 92
},
{
"id": "jvasp-112740",
"created_at": "2022-09-04T14:38:43.703538Z",
"updated_at": "2022-09-04T14:38:43.703565Z",
"structure_string": "Na8 Fe4 O12\n1.0\n5.123719 0.005368 -0.834579\n0.411839 8.614832 2.520278\n0.004695 -0.018902 5.560718\nNa Fe O\n8 4 12\ndirect\n0.749967 0.250032 0.499944 Na\n0.249973 0.750032 0.499949 Na\n-0.000002 0.999986 0.000010 Na\n0.500000 0.499986 0.000014 Na\n0.235761 0.078603 0.500054 Na\n0.735764 0.578604 0.500062 Na\n0.264197 0.421455 0.500024 Na\n0.764197 0.921455 0.500022 Na\n0.000900 0.333619 0.999997 Fe\n0.499117 0.166360 -0.000009 Fe\n0.500901 0.833620 1.000000 Fe\n0.999120 0.666360 -0.000005 Fe\n0.588161 0.033769 0.802301 O\n0.654509 0.345504 0.801322 O\n0.154511 0.845502 0.801326 O\n0.845507 0.154484 0.198669 O\n0.345510 0.654483 0.198676 O\n0.344720 0.277165 0.197682 O\n0.844723 0.777165 0.197686 O\n0.911864 0.466217 0.197683 O\n0.411863 0.966216 0.197682 O\n0.155290 0.222807 0.802306 O\n0.655294 0.722807 0.802309 O\n0.088164 0.533771 0.802304 O\n",
"nsites": 24,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 4.049884485424215,
"density_atomic": 0.09767132015795839,
"volume": 245.72208055738508,
"volume_molar": 6.165720653985967,
"formula_full": "Na8 Fe4 O12",
"formula_reduced": "Na2FeO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 12
},
{
"id": "jvasp-25844",
"created_at": "2022-09-04T14:38:29.999143Z",
"updated_at": "2022-09-04T14:38:29.999159Z",
"structure_string": "Rb2 Al2 Sb2 O7\n1.0\n2.867198 -4.966132 0.000000\n2.867198 4.966132 -0.000000\n0.000000 -0.000000 8.356913\nRb Al Sb O\n2 2 2 7\ndirect\n0.333333 0.666667 0.407889 Rb\n0.666667 0.333333 0.592111 Rb\n0.000000 0.000000 0.793075 Al\n0.000000 0.000000 0.206925 Al\n0.666667 0.333333 0.151468 Sb\n0.333333 0.666667 0.848532 Sb\n0.168039 0.336079 0.716736 O\n0.336079 0.168039 0.283264 O\n0.663922 0.831962 0.716736 O\n0.168039 0.831961 0.716736 O\n0.831962 0.663922 0.283264 O\n0.000000 0.000000 0.000000 O\n0.831961 0.168039 0.283264 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
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"Al",
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"O"
],
"chemical_system": "Al-O-Rb-Sb",
"density": 4.049818065165104,
"density_atomic": 0.05462501028052623,
"volume": 237.98622523343468,
"volume_molar": 11.024511902283136,
"formula_full": "Rb2 Al2 Sb2 O7",
"formula_reduced": "Rb2Al2Sb2O7",
"formula_anonymous": "A2B2C2D7",
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"spacegroup": 164
},
{
"id": "jvasp-53682",
"created_at": "2022-09-04T14:37:30.895997Z",
"updated_at": "2022-09-04T14:37:30.896021Z",
"structure_string": "Ti1 Cr2 S4\n1.0\n4.774756 0.013938 -0.005336\n-0.326470 4.917935 0.006706\n-0.305301 -0.528873 4.890258\nTi Cr S\n1 2 4\ndirect\n0.151025 0.092393 0.878185 Ti\n0.720391 0.278711 0.517308 Cr\n0.720198 0.731605 0.064312 Cr\n0.223710 0.235261 0.445295 S\n0.687210 0.226719 0.012444 S\n0.223556 0.659528 0.021020 S\n0.773914 0.775784 0.561437 S\n",
"nsites": 7,
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"elements": [
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],
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"density": 4.04959824853305,
"density_atomic": 0.060942182748559344,
"volume": 114.86296821499191,
"volume_molar": 9.881728038601246,
"formula_full": "Ti1 Cr2 S4",
"formula_reduced": "Ti(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.312944733333333,
"spacegroup": 8
},
{
"id": "jvasp-22904",
"created_at": "2022-09-04T14:38:29.767893Z",
"updated_at": "2022-09-04T14:38:29.767910Z",
"structure_string": "K8 Sm4 F20\n1.0\n6.611446 0.000000 0.000000\n0.000000 7.441556 0.000000\n0.000000 0.000000 10.786552\nK Sm F\n8 4 20\ndirect\n0.535093 0.252450 0.170974 K\n0.464908 0.752451 0.829026 K\n0.964908 0.252450 0.670974 K\n0.035093 0.752451 0.329026 K\n0.535094 0.760305 0.170974 K\n0.464906 0.260305 0.829026 K\n0.964907 0.760305 0.670974 K\n0.035094 0.260305 0.329026 K\n0.067334 0.006377 0.003854 Sm\n0.932666 0.506377 0.996146 Sm\n0.567335 0.506377 0.496146 Sm\n0.432666 0.006377 0.503854 Sm\n0.848929 0.221702 0.920609 F\n0.848932 0.791051 0.920606 F\n0.151068 0.291051 0.079395 F\n0.908919 0.506376 0.490107 F\n0.091081 0.006376 0.509892 F\n0.591082 0.506376 0.990107 F\n0.408919 0.006376 0.009892 F\n0.151071 0.721702 0.079391 F\n0.348929 0.721702 0.579391 F\n0.362524 0.506369 0.327792 F\n0.332849 0.006371 0.300600 F\n0.667151 0.506371 0.699400 F\n0.167151 0.006371 0.800600 F\n0.832849 0.506371 0.199400 F\n0.348932 0.291051 0.579394 F\n0.637477 0.006369 0.672208 F\n0.137477 0.506369 0.827792 F\n0.862524 0.006369 0.172208 F\n0.651072 0.221702 0.420609 F\n0.651069 0.791051 0.420606 F\n",
"nsites": 32,
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"elements": [
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],
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"density": 4.049540850401203,
"density_atomic": 0.06029858591121587,
"volume": 530.69237887464,
"volume_molar": 9.987200643257289,
"formula_full": "K8 Sm4 F20",
"formula_reduced": "K2SmF5",
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"spacegroup": 62
},
{
"id": "jvasp-88461",
"created_at": "2022-09-04T14:36:19.058542Z",
"updated_at": "2022-09-04T14:36:19.058560Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.330043 0.000068 -2.100396\n-0.827734 5.265478 -2.100480\n-0.491883 -0.575361 6.564547\nRb C O\n4 1 4\ndirect\n0.557058 0.153353 0.710438 Rb\n0.442934 0.442923 0.289565 Rb\n0.846625 0.846628 0.289554 Rb\n0.153363 0.557065 0.710441 Rb\n0.000005 0.000008 -0.000002 C\n0.937883 0.225764 0.163645 O\n0.774246 0.774249 0.836356 O\n0.225764 0.937890 0.163647 O\n0.062126 0.062124 0.836358 O\n",
"nsites": 9,
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"elements": [
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],
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"density": 4.049540800707812,
"density_atomic": 0.05252283074735141,
"volume": 171.35405445476388,
"volume_molar": 11.465758174703257,
"formula_full": "Rb4 C1 O4",
"formula_reduced": "Rb4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 121
},
{
"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,
"nelements": 4,
"elements": [
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],
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"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",
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"spacegroup": 166
},
{
"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",
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"spacegroup": 166
},
{
"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,
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"volume": 679.8392828838792,
"volume_molar": 25.588049098151117,
"formula_full": "Rb8 Sb8",
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"spacegroup": 19
},
{
"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,
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"elements": [
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],
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"density": 4.049262675272697,
"density_atomic": 0.04213812064609713,
"volume": 94.92592309928952,
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"formula_full": "Mn1 Cd1 S2",
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"spacegroup": 160
}
]
}