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{
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"results": [
{
"id": "jvasp-123635",
"created_at": "2022-09-04T14:38:54.941958Z",
"updated_at": "2022-09-04T14:38:54.941983Z",
"structure_string": "Yb1 P3\n1.0\n3.207774 -0.000000 -1.027169\n-0.078348 4.400446 -0.244675\n0.047003 -0.326391 5.669192\nYb P\n1 3\ndirect\n0.341485 -0.015128 0.682974 Yb\n0.618688 0.082667 0.237377 P\n0.119101 0.425893 0.238203 P\n0.920720 0.506569 0.841446 P\n",
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{
"id": "jvasp-123586",
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"structure_string": "La1 P3\n1.0\n3.623750 -0.000000 -1.160370\n-0.046101 4.220953 -0.143970\n-0.138417 -0.207951 5.806266\nLa P\n1 3\ndirect\n0.339772 -0.009439 0.679546 La\n0.620878 0.077350 0.241756 P\n0.117696 0.427527 0.235391 P\n0.921653 0.504562 0.843308 P\n",
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{
"id": "jvasp-116440",
"created_at": "2022-09-04T14:38:50.976698Z",
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"structure_string": "As2 N2\n1.0\n6.789254 1.714397 1.981511\n1.004433 -3.363330 1.031953\n1.492831 1.556346 -3.064136\nAs N\n2 2\ndirect\n0.742375 0.444996 0.289763 As\n0.541499 0.244931 0.786183 As\n0.185520 0.380075 0.535922 N\n0.106832 0.120894 0.441540 N\n",
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"elements": [
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{
"id": "jvasp-119015",
"created_at": "2022-09-04T14:38:51.058230Z",
"updated_at": "2022-09-04T14:38:51.058269Z",
"structure_string": "Mg16 Sc1 Al12\n1.0\n8.622988 0.010100 2.992685\n-4.286683 7.482003 2.992685\n-0.008907 -0.015390 8.962840\nMg Sc Al\n16 1 12\ndirect\n0.399664 0.399663 0.281656 Mg\n0.314390 0.605430 0.996959 Mg\n0.000553 0.318962 0.393649 Mg\n0.996286 0.335456 0.007752 Mg\n0.290230 0.684243 0.315605 Mg\n0.599645 0.001867 0.685202 Mg\n0.001867 0.599644 0.685202 Mg\n0.684244 0.290230 0.315605 Mg\n0.398856 0.714410 0.604053 Mg\n0.318962 0.000553 0.393649 Mg\n0.714410 0.398856 0.604053 Mg\n0.605430 0.314390 0.996959 Mg\n-0.000529 -0.000529 0.002526 Mg\n0.656774 0.656774 0.348896 Mg\n0.004889 0.004889 0.649809 Mg\n0.335456 0.996286 0.007752 Mg\n0.684839 0.684838 0.720655 Sc\n0.179230 0.364998 0.633617 Al\n0.822224 0.184741 0.811426 Al\n0.634126 0.000604 0.181514 Al\n0.000604 0.634125 0.181514 Al\n0.184741 0.822224 0.811426 Al\n0.184124 0.184124 0.180873 Al\n0.995588 0.810267 0.372900 Al\n0.812375 0.632713 0.997365 Al\n0.372924 0.372924 0.815491 Al\n0.810267 0.995588 0.372900 Al\n0.364998 0.179230 0.633617 Al\n0.632713 0.812374 0.997365 Al\n",
"nsites": 29,
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"elements": [
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"Al"
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"density_atomic": 0.050048379052173984,
"volume": 579.4393454734736,
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"formula_full": "Mg16 Sc1 Al12",
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{
"id": "jvasp-120528",
"created_at": "2022-09-04T14:38:51.099731Z",
"updated_at": "2022-09-04T14:38:51.099765Z",
"structure_string": "K1 U2 Sb1 Se8\n1.0\n6.874206 0.012557 1.064741\n-2.505567 6.401328 1.064741\n0.026465 0.038855 7.415028\nK U Sb Se\n1 2 1 8\ndirect\n0.117791 0.117791 0.529416 K\n0.495224 -0.004069 0.016550 U\n-0.004070 0.495224 0.016550 U\n0.582066 0.582066 0.665592 Sb\n0.063904 0.809134 0.234820 Se\n0.809134 0.063905 0.234820 Se\n0.781334 0.781334 0.893804 Se\n0.269343 0.269343 0.898009 Se\n0.574799 0.314664 0.239494 Se\n0.314664 0.574799 0.239494 Se\n0.812435 0.320349 0.732464 Se\n0.320349 0.812435 0.732464 Se\n",
"nsites": 12,
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"elements": [
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"U",
"Sb",
"Se"
],
"chemical_system": "K-Sb-Se-U",
"density": 6.462683310996012,
"density_atomic": 0.03681473211465015,
"volume": 325.95646662942,
"volume_molar": 16.357964363955084,
"formula_full": "K1 U2 Sb1 Se8",
"formula_reduced": "KU2SbSe8",
"formula_anonymous": "ABC2D8",
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"spacegroup": 8
},
{
"id": "jvasp-116481",
"created_at": "2022-09-04T14:38:51.016990Z",
"updated_at": "2022-09-04T14:38:51.017011Z",
"structure_string": "Rb1 Hg3 N1 Cl8 O2\n1.0\n10.213231 0.017539 2.568568\n9.382160 4.035527 2.568568\n-0.433244 -0.089611 8.961030\nRb Hg N Cl O\n1 3 1 8 2\ndirect\n0.519719 0.519720 0.793517 Rb\n0.031245 0.031245 0.314972 Hg\n0.856530 0.856532 0.192170 Hg\n0.205300 0.205301 0.448228 Hg\n0.694843 0.694845 0.024360 N\n0.249815 0.249816 0.165670 Cl\n0.803991 0.803993 0.464673 Cl\n0.158918 0.158918 0.720181 Cl\n0.875570 0.875572 0.909652 Cl\n0.614713 0.614715 0.408804 Cl\n0.091552 0.091552 0.054193 Cl\n0.446462 0.446463 0.183539 Cl\n0.961909 0.961911 0.560692 Cl\n0.317881 0.317882 0.813079 O\n0.721842 0.721844 0.902673 O\n",
"nsites": 15,
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"elements": [
"Rb",
"Hg",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-N-O-Rb",
"density": 4.532725446154264,
"density_atomic": 0.04026588917640671,
"volume": 372.52374917847493,
"volume_molar": 14.955936359971403,
"formula_full": "Rb1 Hg3 N1 Cl8 O2",
"formula_reduced": "RbHg3N(Cl4O)2",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 0.3679031059999999,
"spacegroup": 8
},
{
"id": "jvasp-119004",
"created_at": "2022-09-04T14:38:51.039452Z",
"updated_at": "2022-09-04T14:38:51.039476Z",
"structure_string": "Li4 Fe3 Ni2 Sb3 O16\n1.0\n5.969305 -0.012818 0.065823\n2.980334 5.172076 0.065823\n0.019411 0.011190 9.419071\nLi Fe Ni Sb O\n4 3 2 3 16\ndirect\n0.660737 0.660738 0.142835 Li\n0.883078 0.883080 0.037624 Li\n0.986061 0.986063 0.493365 Li\n0.339297 0.339297 0.600292 Li\n0.837799 0.837801 0.780870 Fe\n0.172151 0.669170 0.283879 Fe\n0.669169 0.172151 0.283879 Fe\n0.674431 0.674433 0.499341 Ni\n0.347448 0.347449 0.012184 Ni\n0.173459 0.173459 0.277823 Sb\n0.341503 0.840642 0.790988 Sb\n0.840641 0.341504 0.790988 Sb\n0.173109 0.173109 0.902598 O\n0.151363 0.689172 0.894677 O\n0.340176 0.340177 0.390244 O\n0.504968 0.036003 0.158858 O\n0.036003 0.504968 0.158858 O\n0.840762 0.840764 0.382001 O\n0.970670 0.528877 0.664932 O\n0.519856 0.519858 0.664146 O\n0.835960 0.319044 0.393833 O\n0.000200 0.000200 0.179569 O\n0.002493 0.002493 0.680063 O\n0.679869 0.679870 0.904172 O\n0.481737 0.481738 0.170697 O\n0.319044 0.835961 0.393833 O\n0.528875 0.970671 0.664932 O\n0.689171 0.151363 0.894677 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Fe",
"Ni",
"Sb",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Sb",
"density": 5.326660128791796,
"density_atomic": 0.09616951185138897,
"volume": 291.15256447665536,
"volume_molar": 6.262006163976409,
"formula_full": "Li4 Fe3 Ni2 Sb3 O16",
"formula_reduced": "Li4Fe3Ni2Sb3O16",
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},
{
"id": "jvasp-119395",
"created_at": "2022-09-04T14:38:51.109790Z",
"updated_at": "2022-09-04T14:38:51.109822Z",
"structure_string": "Li2 Co4 O7 F1\n1.0\n4.944561 0.055108 2.774325\n1.625868 4.669932 2.774325\n0.023302 0.016757 5.666905\nLi Co O F\n2 4 7 1\ndirect\n0.500179 0.500178 -0.003495 Li\n0.883911 0.883912 0.867341 Li\n0.114621 0.114621 0.134326 Co\n0.492981 0.003000 0.492117 Co\n0.003000 0.492981 0.492117 Co\n0.501669 0.501669 0.506056 Co\n0.737143 0.737143 0.287016 O\n0.752575 0.290544 0.713629 O\n0.290543 0.752575 0.713629 O\n0.717238 0.248018 0.282913 O\n0.250732 0.250732 0.271852 O\n0.248018 0.717238 0.282913 O\n0.259974 0.259975 0.720900 O\n0.746829 0.746829 0.739256 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.865674554858337,
"density_atomic": 0.10778118675935297,
"volume": 129.89279874286703,
"volume_molar": 5.587376555284974,
"formula_full": "Li2 Co4 O7 F1",
"formula_reduced": "Li2Co4O7F",
"formula_anonymous": "AB2C4D7",
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{
"id": "jvasp-120211",
"created_at": "2022-09-04T14:38:51.172655Z",
"updated_at": "2022-09-04T14:38:51.172676Z",
"structure_string": "H1 Cl2\n1.0\n5.138093 -1.026584 -0.649532\n1.900019 -3.739370 -0.459324\n-1.330015 2.089953 -2.893750\nH Cl\n1 2\ndirect\n-0.026623 0.012711 0.794552 H\n0.689948 0.582016 0.794691 Cl\n0.185531 0.591309 0.794850 Cl\n",
"nsites": 3,
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"elements": [
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],
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"density": 2.1747442380085316,
"density_atomic": 0.05463453645904631,
"volume": 54.91032219608526,
"volume_molar": 11.022589648059258,
"formula_full": "H1 Cl2",
"formula_reduced": "HCl2",
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"spacegroup": 8
},
{
"id": "jvasp-116711",
"created_at": "2022-09-04T14:38:51.227218Z",
"updated_at": "2022-09-04T14:38:51.227243Z",
"structure_string": "Ce9 Se6 N3 O3\n1.0\n12.395878 0.005059 1.153687\n11.745273 3.963128 1.153687\n-0.007940 -0.001305 9.342250\nCe Se N O\n9 6 3 3\ndirect\n0.461716 0.461715 0.678889 Ce\n0.539075 0.539075 0.320461 Ce\n0.090046 0.090045 0.649246 Ce\n0.907699 0.907700 0.351036 Ce\n0.187626 0.187626 0.008060 Ce\n0.812725 0.812724 0.991808 Ce\n0.000355 0.000352 0.995154 Ce\n0.280136 0.280134 0.662312 Ce\n0.719771 0.719772 0.338103 Ce\n0.689397 0.689397 0.676168 Se\n0.310429 0.310429 0.326359 Se\n0.588826 0.588825 0.974200 Se\n0.867359 0.867359 0.671203 Se\n0.132321 0.132320 0.327053 Se\n0.411945 0.411946 0.034571 Se\n0.277029 0.277027 0.900181 N\n0.723691 0.723692 0.100355 N\n0.001327 0.001325 0.755821 N\n0.552596 0.552595 0.563234 O\n0.447397 0.447397 0.429073 O\n0.998538 0.998539 0.246720 O\n",
"nsites": 21,
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"elements": [
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],
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"density": 6.609873185013887,
"density_atomic": 0.04580814918432559,
"volume": 458.433714828751,
"volume_molar": 13.146439808706848,
"formula_full": "Ce9 Se6 N3 O3",
"formula_reduced": "Ce3Se2NO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.418412854761905,
"spacegroup": 8
},
{
"id": "jvasp-119422",
"created_at": "2022-09-04T14:38:51.312643Z",
"updated_at": "2022-09-04T14:38:51.312660Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.840785 -0.014689 -0.066511\n-1.477194 8.490738 -4.071832\n0.227597 0.115164 9.489633\nLi Mn Co O\n8 2 4 14\ndirect\n0.925715 0.851161 0.218746 Li\n0.215945 0.431643 0.360786 Li\n0.509787 0.019225 0.514217 Li\n0.775411 0.550401 0.637633 Li\n0.076609 0.153653 0.778764 Li\n0.351739 0.703082 0.926957 Li\n0.647376 0.295271 0.067763 Li\n0.142827 0.285327 0.580144 Li\n0.998053 0.996090 0.996763 Mn\n0.575341 0.150805 0.295313 Mn\n0.428194 0.856551 0.713681 Co\n0.712882 0.425563 0.850939 Co\n0.286244 0.572550 0.142258 Co\n0.857155 0.714437 0.429145 Co\n0.814654 0.628952 0.038659 O\n0.468371 0.937118 0.100705 O\n0.758224 0.516959 0.246774 O\n0.037456 0.075418 0.378469 O\n0.329777 0.660094 0.535107 O\n0.612244 0.224486 0.690140 O\n0.899109 0.798758 0.819873 O\n0.187011 0.374293 0.963279 O\n0.385639 0.771026 0.325262 O\n0.672059 0.344214 0.445118 O\n0.955788 0.911323 0.610535 O\n0.247115 0.493640 0.760790 O\n0.529821 0.059223 0.897292 O\n0.099509 0.198731 0.174890 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509868808651514,
"density_atomic": 0.12164760532472922,
"volume": 230.17304718211332,
"volume_molar": 4.9504803188886,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.555560252955665,
"spacegroup": 8
},
{
"id": "jvasp-123548",
"created_at": "2022-09-04T14:38:51.738185Z",
"updated_at": "2022-09-04T14:38:51.738195Z",
"structure_string": "Ac1 P3\n1.0\n3.723553 -0.000000 -1.192328\n-0.044129 4.373273 -0.137811\n-0.145184 -0.196293 5.956954\nAc P\n1 3\ndirect\n0.340512 -0.012932 0.681023 Ac\n0.622142 0.091144 0.244284 P\n0.113970 0.423673 0.227939 P\n0.923376 0.498116 0.846752 P\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.5259622484251,
"density_atomic": 0.04160788789272652,
"volume": 96.13561760964176,
"volume_molar": 14.473555532369936,
"formula_full": "Ac1 P3",
"formula_reduced": "AcP3",
"formula_anonymous": "AB3",
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"spacegroup": 8
}
]
}