HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3615",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3613",
"results": [
{
"id": "jvasp-56931",
"created_at": "2022-09-04T14:37:28.889154Z",
"updated_at": "2022-09-04T14:37:28.889183Z",
"structure_string": "Ti8 Co2 Bi4\n1.0\n4.619339 0.000000 1.517837\n2.309669 7.489332 0.758919\n-0.028226 -0.000000 7.873997\nTi Co Bi\n8 2 4\ndirect\n0.420164 0.272724 0.886948 Ti\n0.692889 0.886947 0.727276 Ti\n0.807111 0.272724 0.113053 Ti\n0.192889 0.727275 0.886948 Ti\n0.079835 0.113052 0.727276 Ti\n0.920165 0.886947 0.272725 Ti\n0.579836 0.727275 0.113053 Ti\n0.307111 0.113052 0.272725 Ti\n0.250000 -0.000000 0.000000 Co\n0.750000 -0.000000 0.000000 Co\n0.359803 0.780394 0.500001 Bi\n0.859803 0.500000 0.780395 Bi\n0.140197 0.500000 0.219606 Bi\n0.640197 0.219606 0.500001 Bi\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Bi"
],
"chemical_system": "Bi-Co-Ti",
"density": 8.138819797263054,
"density_atomic": 0.05133323434919645,
"volume": 272.7277986180341,
"volume_molar": 11.731465660305249,
"formula_full": "Ti8 Co2 Bi4",
"formula_reduced": "Ti4CoBi2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.279337547619048,
"spacegroup": 140
},
{
"id": "jvasp-9371",
"created_at": "2022-09-04T14:37:28.772913Z",
"updated_at": "2022-09-04T14:37:28.772932Z",
"structure_string": "Zn2 Co4 S8\n1.0\n5.900019 -0.000062 3.406273\n1.966621 5.562580 3.406261\n-0.000070 -0.000063 6.812666\nZn Co S\n2 4 8\ndirect\n0.874985 0.875015 0.875015 Zn\n0.125016 0.124985 0.124985 Zn\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500001 Co\n0.500000 1.000000 0.500000 Co\n0.734695 0.734696 0.734696 S\n0.265304 0.265307 0.704083 S\n0.265304 0.704083 0.265307 S\n0.704110 0.265297 0.265296 S\n0.734697 0.295917 0.734693 S\n0.295890 0.734703 0.734703 S\n0.265304 0.265305 0.265304 S\n0.734696 0.734692 0.295917 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Co",
"S"
],
"chemical_system": "Co-S-Zn",
"density": 4.627366254325662,
"density_atomic": 0.06261457376921847,
"volume": 223.59011899690427,
"volume_molar": 9.617794065317911,
"formula_full": "Zn2 Co4 S8",
"formula_reduced": "Zn(CoS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.964793171428572,
"spacegroup": 227
},
{
"id": "jvasp-9662",
"created_at": "2022-09-04T14:37:28.776001Z",
"updated_at": "2022-09-04T14:37:28.776031Z",
"structure_string": "Mg2 Cu4 O8\n1.0\n5.259273 0.000000 -2.761185\n-1.449658 5.055538 -2.761185\n-0.243286 -0.322853 5.925913\nMg Cu O\n2 4 8\ndirect\n0.374999 0.625001 0.749999 Mg\n0.624999 0.375000 0.249999 Mg\n-0.000000 0.000000 0.500000 Cu\n-0.000000 0.500000 -0.000000 Cu\n0.499999 0.000000 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.760964 0.782869 0.521928 O\n0.760938 0.239035 0.978068 O\n0.217131 0.239036 0.978069 O\n0.239034 0.217132 0.478069 O\n0.239034 0.760940 0.478069 O\n0.239060 0.760965 0.021929 O\n0.760964 0.239061 0.521929 O\n0.782868 0.760965 0.021929 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 4.827390664155134,
"density_atomic": 0.09447710511391162,
"volume": 148.18404927966532,
"volume_molar": 6.374180022492294,
"formula_full": "Mg2 Cu4 O8",
"formula_reduced": "Mg(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1254105642857142,
"spacegroup": 227
},
{
"id": "jvasp-9290",
"created_at": "2022-09-04T14:37:28.779308Z",
"updated_at": "2022-09-04T14:37:28.779318Z",
"structure_string": "Ca2 Mn4 S8\n1.0\n6.045832 -0.000000 -3.174139\n-1.666463 5.811626 -3.174139\n0.395010 0.524197 8.097248\nCa Mn S\n2 4 8\ndirect\n0.375000 0.625001 0.750001 Ca\n0.625000 0.375000 0.250000 Ca\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.775113 0.793136 0.550226 S\n0.742910 0.224888 0.949774 S\n0.206865 0.224888 0.949775 S\n0.224887 0.206865 0.449774 S\n0.224887 0.742911 0.449775 S\n0.257090 0.775113 0.050226 S\n0.775113 0.257090 0.550226 S\n0.793135 0.775113 0.050226 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"S"
],
"chemical_system": "Ca-Mn-S",
"density": 3.033143156404366,
"density_atomic": 0.04595817029823001,
"volume": 304.6248340426029,
"volume_molar": 13.103525925687105,
"formula_full": "Ca2 Mn4 S8",
"formula_reduced": "Ca(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.411039271822659,
"spacegroup": 141
},
{
"id": "jvasp-11800",
"created_at": "2022-09-04T14:37:07.370685Z",
"updated_at": "2022-09-04T14:37:07.370716Z",
"structure_string": "Ba1 Mn1 V2 Ag2 O8\n1.0\n2.775925 -4.808043 -0.000000\n2.775925 4.808043 0.000000\n0.000000 -0.000000 7.326711\nBa Mn V Ag O\n1 1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mn\n0.333332 0.666666 0.251640 V\n0.666666 0.333332 0.748359 V\n0.666666 0.333332 0.312215 Ag\n0.333332 0.666666 0.687785 Ag\n0.333332 0.666666 0.019163 O\n0.666666 0.333332 0.980837 O\n0.079995 0.749359 0.323598 O\n0.669363 0.920003 0.323598 O\n0.250640 0.330635 0.323598 O\n0.920003 0.250640 0.676402 O\n0.749358 0.669363 0.676402 O\n0.330635 0.079995 0.676402 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"V",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-Mn-O-V",
"density": 5.41592589279954,
"density_atomic": 0.07158349647105323,
"volume": 195.5758057398228,
"volume_molar": 8.41275022439735,
"formula_full": "Ba1 Mn1 V2 Ag2 O8",
"formula_reduced": "BaMnV2(AgO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.6271660093842364,
"spacegroup": 147
},
{
"id": "jvasp-11647",
"created_at": "2022-09-04T14:37:07.359321Z",
"updated_at": "2022-09-04T14:37:07.359350Z",
"structure_string": "Y2 Mn4 O8\n1.0\n5.431845 -0.127336 -2.928370\n-1.521069 5.317118 -2.740642\n-0.207000 -0.048008 6.372217\nY Mn O\n2 4 8\ndirect\n-0.000000 0.500001 0.000001 Y\n0.000001 -0.000000 0.500000 Y\n0.380948 0.630947 0.750001 Mn\n0.619053 0.369053 0.250000 Mn\n0.500001 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.698600 0.759409 0.473122 O\n0.786288 0.225480 0.026881 O\n0.216368 0.215739 0.981652 O\n0.301400 0.240592 0.526880 O\n0.265913 0.765284 0.481651 O\n0.213712 0.774520 0.973122 O\n0.734086 0.234714 0.518348 O\n0.783632 0.784261 0.018349 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 4.886873111607859,
"density_atomic": 0.07839501673217152,
"volume": 178.5827796660795,
"volume_molar": 7.6817902604371175,
"formula_full": "Y2 Mn4 O8",
"formula_reduced": "YMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0883234189655173,
"spacegroup": 15
},
{
"id": "jvasp-10648",
"created_at": "2022-09-04T14:37:28.810806Z",
"updated_at": "2022-09-04T14:37:28.810834Z",
"structure_string": "Mg2 Co4 O8\n1.0\n5.781421 0.000103 0.000073\n2.890799 5.007011 -0.000000\n2.890799 1.669004 4.720655\nMg Co O\n2 4 8\ndirect\n0.984800 0.005066 0.005066 Mg\n0.123834 0.625388 0.625389 Mg\n0.259919 0.246693 0.246694 Co\n0.625302 0.123146 0.625776 Co\n0.625302 0.625775 0.123147 Co\n0.625302 0.625774 0.625776 Co\n0.404126 0.375785 0.375786 O\n0.404126 0.375785 0.844302 O\n0.404126 0.844301 0.375786 O\n0.841080 0.386306 0.386307 O\n0.414289 0.861902 0.861904 O\n0.845934 0.414294 0.869886 O\n0.845934 0.869884 0.414296 O\n0.845934 0.869884 0.869886 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Co",
"O"
],
"chemical_system": "Co-Mg-O",
"density": 5.010646208962685,
"density_atomic": 0.10245173993214501,
"volume": 136.64970462456142,
"volume_molar": 5.878026829010941,
"formula_full": "Mg2 Co4 O8",
"formula_reduced": "Mg(CoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2618406928571426,
"spacegroup": 160
},
{
"id": "jvasp-9929",
"created_at": "2022-09-04T14:37:28.825991Z",
"updated_at": "2022-09-04T14:37:28.826018Z",
"structure_string": "Zn2 Sn4 O8\n1.0\n3.209301 0.000000 0.000000\n-1.604650 5.356764 -0.000000\n0.000000 -0.000000 10.855917\nZn Sn O\n2 4 8\ndirect\n0.393841 0.787684 0.750000 Zn\n0.606158 0.212316 0.250000 Zn\n0.868479 0.736960 0.077487 Sn\n0.131521 0.263039 0.922513 Sn\n0.868479 0.736960 0.422513 Sn\n0.131521 0.263039 0.577488 Sn\n0.228520 0.457040 0.384278 O\n0.771480 0.542959 0.615722 O\n0.771480 0.542959 0.884278 O\n0.228520 0.457040 0.115722 O\n0.987462 0.974926 0.250000 O\n0.012538 0.025074 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 6.527703723656902,
"density_atomic": 0.07501507653456996,
"volume": 186.62915038883202,
"volume_molar": 8.027907239719681,
"formula_full": "Zn2 Sn4 O8",
"formula_reduced": "Zn(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2726968285714284,
"spacegroup": 63
},
{
"id": "jvasp-34181",
"created_at": "2022-09-04T14:37:28.829373Z",
"updated_at": "2022-09-04T14:37:28.829401Z",
"structure_string": "Mn4 Ni2 O8\n1.0\n5.055869 0.000000 2.919007\n1.685290 4.766719 2.919007\n0.000000 0.000000 5.838014\nMn Ni O\n4 2 8\ndirect\n0.500000 -0.000000 0.499999 Mn\n0.999999 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500000 0.500001 Mn\n0.125000 0.124999 0.125000 Ni\n0.875000 0.874999 0.875000 Ni\n0.739029 0.739028 0.739030 O\n0.260972 0.260970 0.717087 O\n0.260971 0.717087 0.260971 O\n0.717089 0.260970 0.260970 O\n0.739029 0.282913 0.739028 O\n0.282912 0.739028 0.739029 O\n0.260972 0.260970 0.260971 O\n0.739029 0.739028 0.282913 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 5.4896778089338225,
"density_atomic": 0.09950560396447662,
"volume": 140.6955934361042,
"volume_molar": 6.052061914171082,
"formula_full": "Mn4 Ni2 O8",
"formula_reduced": "Mn2NiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.900707268965517,
"spacegroup": 227
},
{
"id": "jvasp-9661",
"created_at": "2022-09-04T14:37:28.853292Z",
"updated_at": "2022-09-04T14:37:28.853317Z",
"structure_string": "Y2 Cr4 O8\n1.0\n5.083565 0.105819 -2.518537\n-1.367917 4.878181 -2.554854\n-0.014565 0.028901 6.363200\nY Cr O\n2 4 8\ndirect\n0.875003 0.125003 0.750003 Y\n0.124998 0.874996 0.249997 Y\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500001 0.500000 0.500000 Cr\n0.723454 0.524256 0.851387 O\n0.127924 0.827122 0.851379 O\n0.276548 0.475744 0.148614 O\n0.872077 0.172877 0.148622 O\n0.524287 0.127940 0.351381 O\n0.827098 0.723444 0.351383 O\n0.172903 0.276555 0.648618 O\n0.475714 0.872060 0.648619 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Cr",
"O"
],
"chemical_system": "Cr-O-Y",
"density": 5.365206527500486,
"density_atomic": 0.08803971670353732,
"volume": 159.01913959063774,
"volume_molar": 6.840254586777923,
"formula_full": "Y2 Cr4 O8",
"formula_reduced": "YCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.2516720357142863,
"spacegroup": 88
},
{
"id": "jvasp-10294",
"created_at": "2022-09-04T14:37:07.309968Z",
"updated_at": "2022-09-04T14:37:07.309990Z",
"structure_string": "Rb2 Na4 B2 O6\n1.0\n5.560749 0.000000 0.000000\n0.000000 5.695351 0.000000\n0.000000 0.000000 6.106151\nRb Na B O\n2 4 2 6\ndirect\n0.887037 0.500000 0.000000 Rb\n0.112963 0.000000 0.500000 Rb\n0.364635 0.500000 0.268408 Na\n0.364635 0.500000 0.731592 Na\n0.635365 0.000000 0.231592 Na\n0.635365 0.000000 0.768408 Na\n0.786829 0.500000 0.500000 B\n0.213172 0.000000 0.000000 B\n0.655087 0.289684 0.500000 O\n0.344913 0.210316 0.000000 O\n0.035987 0.500000 0.500000 O\n0.964013 0.000000 0.000000 O\n0.344913 0.789684 0.000000 O\n0.655087 0.710316 0.500000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Na",
"B",
"O"
],
"chemical_system": "B-Na-O-Rb",
"density": 3.267362780307725,
"density_atomic": 0.07239468936472226,
"volume": 193.38435074247533,
"volume_molar": 8.31848414965998,
"formula_full": "Rb2 Na4 B2 O6",
"formula_reduced": "RbNa2BO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.217173011904762,
"spacegroup": 59
},
{
"id": "jvasp-50747",
"created_at": "2022-09-04T14:37:28.951756Z",
"updated_at": "2022-09-04T14:37:28.951777Z",
"structure_string": "Li5 Cu1 F8\n1.0\n4.998074 -0.018684 0.000000\n-1.716492 4.694118 0.000000\n0.000000 0.000000 5.851415\nLi Cu F\n5 1 8\ndirect\n0.000000 0.500000 0.227969 Li\n0.000000 0.500000 0.772032 Li\n0.500000 0.500001 0.000000 Li\n0.500000 0.000000 0.227969 Li\n0.500000 0.000000 0.772032 Li\n0.500000 0.500001 0.500000 Cu\n0.264232 0.735769 0.000000 F\n0.265971 0.734030 0.500000 F\n0.271179 0.271179 0.260263 F\n0.271179 0.271179 0.739738 F\n0.728821 0.728822 0.260263 F\n0.728821 0.728822 0.739738 F\n0.734029 0.265972 0.500000 F\n0.735768 0.264233 0.000000 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.03095321186929,
"density_atomic": 0.10211852157259803,
"volume": 137.09560013603536,
"volume_molar": 5.897207154256286,
"formula_full": "Li5 Cu1 F8",
"formula_reduced": "Li5CuF8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 0.1467551008928571,
"spacegroup": 65
}
]
}