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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=311",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=309",
"results": [
{
"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": [
"Li",
"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",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.628490914285714,
"spacegroup": 8
},
{
"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",
"energy_above_hull": 2.650267027321428,
"spacegroup": 8
},
{
"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,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 2.1747442380085316,
"density_atomic": 0.05463453645904631,
"volume": 54.91032219608526,
"volume_molar": 11.022589648059258,
"formula_full": "H1 Cl2",
"formula_reduced": "HCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7704627116666667,
"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,
"nelements": 4,
"elements": [
"Ce",
"Se",
"N",
"O"
],
"chemical_system": "Ce-N-O-Se",
"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,
"nelements": 4,
"elements": [
"Li",
"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,
"nelements": 2,
"elements": [
"Ac",
"P"
],
"chemical_system": "Ac-P",
"density": 5.5259622484251,
"density_atomic": 0.04160788789272652,
"volume": 96.13561760964176,
"volume_molar": 14.473555532369936,
"formula_full": "Ac1 P3",
"formula_reduced": "AcP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.239479125,
"spacegroup": 8
},
{
"id": "jvasp-123552",
"created_at": "2022-09-04T14:38:51.748319Z",
"updated_at": "2022-09-04T14:38:51.748335Z",
"structure_string": "As1 P3\n1.0\n3.275099 -0.000000 -1.048728\n-0.021908 4.518102 -0.068418\n0.011055 -0.086798 5.672830\nAs P\n1 3\ndirect\n0.390432 0.914058 0.780867 As\n0.604271 0.100649 0.208541 P\n0.102748 0.430536 0.205495 P\n0.902546 0.554755 0.805095 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"P"
],
"chemical_system": "As-P",
"density": 3.319034510627653,
"density_atomic": 0.04763429298327189,
"volume": 83.97311578456117,
"volume_molar": 12.64244808276013,
"formula_full": "As1 P3",
"formula_reduced": "AsP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.8151670625,
"spacegroup": 8
},
{
"id": "jvasp-119588",
"created_at": "2022-09-04T14:38:51.754848Z",
"updated_at": "2022-09-04T14:38:51.754871Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.812718 0.101589 -0.278694\n-0.133046 5.675239 0.686121\n0.007166 -0.103930 14.368233\nLi Mn Co O\n8 2 4 14\ndirect\n0.998594 0.495028 0.997142 Li\n0.575117 0.213727 0.150027 Li\n0.153546 0.940293 0.306943 Li\n0.424509 0.783142 0.849061 Li\n0.854246 0.075529 0.708496 Li\n0.277971 0.351143 0.556342 Li\n0.715377 0.641596 0.430859 Li\n0.715354 0.146286 0.430765 Li\n-0.000915 -0.002645 0.998123 Mn\n0.572574 0.713811 0.144950 Mn\n0.856629 0.570083 0.713349 Co\n0.428119 0.284563 0.856198 Co\n0.144923 0.424727 0.289622 Co\n0.284153 0.862645 0.568615 Co\n0.790135 0.625802 0.580015 O\n0.497427 0.231718 0.995260 O\n0.067683 0.951887 0.135653 O\n0.638365 0.668633 0.277042 O\n0.925305 0.512816 0.851070 O\n0.353932 0.799184 0.708448 O\n0.786170 0.083556 0.573129 O\n0.208759 0.400902 0.417470 O\n0.502039 0.760508 0.003553 O\n0.072931 0.483272 0.145204 O\n0.643337 0.206027 0.285953 O\n0.931668 0.048348 0.862793 O\n0.361489 0.339747 0.722624 O\n0.220568 0.887675 0.441295 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.51796346018511,
"density_atomic": 0.12186594759071959,
"volume": 229.76065548709747,
"volume_molar": 4.9416107444755974,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5583631100985222,
"spacegroup": 8
},
{
"id": "jvasp-123554",
"created_at": "2022-09-04T14:38:51.813148Z",
"updated_at": "2022-09-04T14:38:51.813185Z",
"structure_string": "B1 P3\n1.0\n3.090879 -0.000000 -0.989738\n-0.023917 4.709834 -0.074692\n-0.028787 -0.054626 5.231262\nB P\n1 3\ndirect\n0.440320 0.836319 0.880645 B\n0.581480 0.106883 0.162959 P\n0.092734 0.420317 0.185468 P\n0.885462 0.636477 0.770927 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"P"
],
"chemical_system": "B-P",
"density": 2.2662841020607125,
"density_atomic": 0.052627325187748125,
"volume": 76.00614292537173,
"volume_molar": 11.442992283031668,
"formula_full": "B1 P3",
"formula_reduced": "BP3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.394822270833334,
"spacegroup": 8
},
{
"id": "jvasp-118104",
"created_at": "2022-09-04T14:38:51.900444Z",
"updated_at": "2022-09-04T14:38:51.900469Z",
"structure_string": "Cl2 O2\n1.0\n4.266068 0.152181 -0.242044\n0.602222 -3.287246 -0.098045\n-1.408353 -3.790752 -4.571041\nCl O\n2 2\ndirect\n0.001999 0.232804 0.069333 Cl\n0.502055 0.232958 0.569387 Cl\n0.236144 0.098987 0.722206 O\n0.736042 0.099035 0.222097 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.643932477276902,
"density_atomic": 0.061890732185862475,
"volume": 64.63003197292451,
"volume_molar": 9.730278746606297,
"formula_full": "Cl2 O2",
"formula_reduced": "ClO",
"formula_anonymous": "AB",
"energy_above_hull": 0.99210878375,
"spacegroup": 8
},
{
"id": "jvasp-123613",
"created_at": "2022-09-04T14:38:52.096510Z",
"updated_at": "2022-09-04T14:38:52.096534Z",
"structure_string": "P3 Ru1\n1.0\n2.995789 -0.000000 -0.959289\n-0.226217 3.577999 -0.706459\n0.223561 -0.800856 5.855621\nP Ru\n3 1\ndirect\n0.586527 0.125317 0.173054 P\n0.138476 0.573807 0.276951 P\n0.908799 0.423933 0.817600 P\n0.366196 0.876941 0.732394 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Ru"
],
"chemical_system": "P-Ru",
"density": 5.2239063078799175,
"density_atomic": 0.06486703555122852,
"volume": 61.66460307625764,
"volume_molar": 9.283822990868813,
"formula_full": "P3 Ru1",
"formula_reduced": "P3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 3.3346567500000006,
"spacegroup": 8
},
{
"id": "jvasp-123618",
"created_at": "2022-09-04T14:38:52.242118Z",
"updated_at": "2022-09-04T14:38:52.242143Z",
"structure_string": "Si1 P3\n1.0\n3.280116 0.000000 -1.050334\n0.049084 4.116736 0.153286\n-0.035926 0.188632 5.534750\nSi P\n1 3\ndirect\n0.395047 0.942750 0.790100 Si\n0.611337 0.060408 0.222672 P\n0.102110 0.420283 0.204221 P\n0.891503 0.576561 0.783009 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"P"
],
"chemical_system": "P-Si",
"density": 2.6979353746791648,
"density_atomic": 0.053707224628926194,
"volume": 74.47787569804228,
"volume_molar": 11.212906273984848,
"formula_full": "Si1 P3",
"formula_reduced": "SiP3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0470862750000007,
"spacegroup": 8
}
]
}