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=-updated_at&page=1209",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1207",
"results": [
{
"id": "jvasp-9798",
"created_at": "2022-09-04T14:38:08.617630Z",
"updated_at": "2022-09-04T14:38:08.617653Z",
"structure_string": "Ca2 Bi4 O8\n1.0\n7.081440 -0.024230 -0.003348\n-0.044387 7.082087 -0.001727\n-3.516067 -3.527818 5.028177\nCa Bi O\n2 4 8\ndirect\n0.624999 0.875003 0.749955 Ca\n0.374979 0.124994 0.249961 Ca\n0.001132 0.487978 0.487922 Bi\n0.986766 -0.000032 0.487858 Bi\n0.012055 0.498884 0.012057 Bi\n0.500027 0.513159 0.012025 Bi\n0.266302 0.728974 0.009226 O\n0.219889 0.257235 0.490907 O\n0.771019 0.233689 0.490992 O\n0.752859 0.765107 0.035695 O\n0.229324 0.717076 0.464278 O\n0.734987 0.747110 0.464236 O\n0.242838 0.280167 0.009100 O\n0.782818 0.270657 0.035785 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 6.878835099194433,
"density_atomic": 0.05554731293171356,
"volume": 252.03739408980476,
"volume_molar": 10.841461885659974,
"formula_full": "Ca2 Bi4 O8",
"formula_reduced": "Ca(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5362990028571426,
"spacegroup": 98
},
{
"id": "jvasp-47099",
"created_at": "2022-09-04T14:38:08.616684Z",
"updated_at": "2022-09-04T14:38:08.616712Z",
"structure_string": "Co1 Ag1 O2\n1.0\n0.778498 -1.279775 -2.465357\n5.611593 3.070686 0.177999\n-0.000000 -1.497960 2.465357\nCo Ag O\n1 1 2\ndirect\n0.500000 0.500000 -0.000000 Co\n0.000000 0.000000 0.000000 Ag\n0.114943 0.344831 0.229886 O\n0.885057 0.655169 0.770114 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Ag",
"O"
],
"chemical_system": "Ag-Co-O",
"density": 7.413350380884637,
"density_atomic": 0.0898273555764168,
"volume": 44.52986480935833,
"volume_molar": 6.704127847643162,
"formula_full": "Co1 Ag1 O2",
"formula_reduced": "CoAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.72513879,
"spacegroup": 166
},
{
"id": "jvasp-10007",
"created_at": "2022-09-04T14:38:08.615554Z",
"updated_at": "2022-09-04T14:38:08.615581Z",
"structure_string": "Ba4 Na1 Cu1 C2 O10\n1.0\n5.529373 -0.000000 -1.961529\n-0.695846 5.485413 -1.961529\n0.010719 0.012164 8.804382\nBa Na Cu C O\n4 1 1 2 10\ndirect\n0.617760 0.117760 0.235521 Ba\n0.382239 0.882238 0.764478 Ba\n0.117760 0.617760 0.235521 Ba\n0.882239 0.382239 0.764478 Ba\n0.000000 0.000000 0.000000 Na\n0.499999 0.500000 -0.000000 Cu\n0.232642 0.232642 0.465286 C\n0.767357 0.767357 0.534713 C\n0.864120 0.590386 0.454507 O\n0.148389 0.148389 0.296779 O\n0.278266 0.278267 0.005347 O\n0.727079 0.727080 0.005347 O\n0.272919 0.721732 0.994652 O\n0.851610 0.851610 0.703220 O\n0.135879 0.135879 0.545492 O\n0.590386 0.864120 0.454507 O\n0.409613 0.409613 0.545492 O\n0.721733 0.272919 0.994652 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Cu",
"C",
"O"
],
"chemical_system": "Ba-C-Cu-Na-O",
"density": 5.093019545258875,
"density_atomic": 0.06733788821136938,
"volume": 267.3086501242679,
"volume_molar": 8.943168430077403,
"formula_full": "Ba4 Na1 Cu1 C2 O10",
"formula_reduced": "Ba4NaCu(CO5)2",
"formula_anonymous": "ABC2D4E10",
"energy_above_hull": 2.2529326849999998,
"spacegroup": 121
},
{
"id": "jvasp-10744",
"created_at": "2022-09-04T14:38:08.614215Z",
"updated_at": "2022-09-04T14:38:08.614231Z",
"structure_string": "Cr4 O8\n1.0\n4.990738 0.000081 2.881517\n1.663760 4.705140 2.881338\n0.000155 -0.000109 5.762766\nCr O\n4 8\ndirect\n0.500008 -0.000001 0.499989 Cr\n0.500006 0.500014 0.000002 Cr\n-0.000001 0.499993 0.499988 Cr\n0.499990 0.499988 0.500026 Cr\n0.265125 0.265110 0.265105 O\n0.704668 0.265108 0.265110 O\n0.265104 0.704671 0.265118 O\n0.265105 0.265112 0.704666 O\n0.734891 0.295332 0.734892 O\n0.734892 0.734885 0.295326 O\n0.295333 0.734894 0.734899 O\n0.734888 0.734890 0.734886 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.122869447992943,
"density_atomic": 0.08867859891313831,
"volume": 135.32013526458775,
"volume_molar": 6.790974185213227,
"formula_full": "Cr4 O8",
"formula_reduced": "CrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.220048133333333,
"spacegroup": 227
},
{
"id": "jvasp-85274",
"created_at": "2022-09-04T14:38:08.613379Z",
"updated_at": "2022-09-04T14:38:08.613415Z",
"structure_string": "K8 C2 O8\n1.0\n5.430078 -0.000000 0.000000\n0.000000 7.103238 -0.000002\n-0.000000 0.000002 7.103238\nK C O\n8 2 8\ndirect\n0.114401 0.249930 0.532114 K\n0.385600 0.967887 0.249930 K\n0.385600 0.532114 0.250071 K\n0.885600 0.749930 0.032114 K\n0.885600 0.750070 0.467887 K\n0.614401 0.032113 0.750071 K\n0.614401 0.467886 0.749930 K\n0.114401 0.250070 0.967887 K\n0.250000 0.750000 0.750000 C\n0.750000 0.250000 0.250000 C\n0.600799 0.250018 0.082415 O\n0.399202 0.750018 0.582416 O\n0.100799 0.917585 0.750019 O\n0.899202 0.082415 0.249982 O\n0.600799 0.249981 0.417585 O\n0.899202 0.417585 0.250019 O\n0.399202 0.749981 0.917585 O\n0.100799 0.582415 0.749982 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"C",
"O"
],
"chemical_system": "C-K-O",
"density": 2.8170802525416887,
"density_atomic": 0.06569823532548877,
"volume": 273.97996172686527,
"volume_molar": 9.166366082992196,
"formula_full": "K8 C2 O8",
"formula_reduced": "K4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.399896222222222,
"spacegroup": 137
},
{
"id": "jvasp-15842",
"created_at": "2022-09-04T14:38:08.610938Z",
"updated_at": "2022-09-04T14:38:08.610965Z",
"structure_string": "Si1 Os1\n1.0\n2.975859 -0.000000 0.000000\n-0.000000 2.975859 0.000000\n-0.000000 -0.000000 2.975859\nSi Os\n1 1\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Si",
"Os"
],
"chemical_system": "Os-Si",
"density": 13.756140996850549,
"density_atomic": 0.07589146663985741,
"volume": 26.353424021846756,
"volume_molar": 7.935201448376323,
"formula_full": "Si1 Os1",
"formula_reduced": "SiOs",
"formula_anonymous": "AB",
"energy_above_hull": 2.9249718,
"spacegroup": 221
},
{
"id": "jvasp-42938",
"created_at": "2022-09-04T14:38:08.609594Z",
"updated_at": "2022-09-04T14:38:08.609610Z",
"structure_string": "Li2 Co2 Ge2 O8\n1.0\n0.000000 5.062212 0.002584\n5.613154 0.000000 0.000000\n0.000000 -5.057194 -6.232339\nLi Co Ge O\n2 2 2 8\ndirect\n0.747093 0.662771 0.751242 Li\n0.747092 0.337228 0.251242 Li\n0.992354 0.176765 0.997268 Co\n0.992353 0.823234 0.497268 Co\n0.500689 0.841695 0.000819 Ge\n0.500690 0.158305 0.500819 Ge\n0.832341 0.867215 0.980534 O\n0.383749 0.134837 0.021856 O\n0.139277 0.703658 0.761521 O\n0.659453 0.328279 0.736467 O\n0.383750 0.865163 0.521856 O\n0.832341 0.132784 0.480534 O\n0.139277 0.296341 0.261521 O\n0.659453 0.671720 0.236466 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-Li-O",
"density": 3.7993647045009094,
"density_atomic": 0.07908781974843024,
"volume": 177.01840870733923,
"volume_molar": 7.614498388191476,
"formula_full": "Li2 Co2 Ge2 O8",
"formula_reduced": "LiCoGeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.1336386928571427,
"spacegroup": 7
},
{
"id": "jvasp-46867",
"created_at": "2022-09-04T14:38:08.602573Z",
"updated_at": "2022-09-04T14:38:08.602607Z",
"structure_string": "Li3 Ni4 O4 F3\n1.0\n-0.000000 -2.041725 -2.041725\n0.000000 2.041725 -2.041725\n14.875306 0.000000 2.041725\nLi Ni O F\n3 4 4 3\ndirect\n0.496469 0.496469 0.992939 Li\n0.360674 0.360674 0.721346 Li\n0.928570 0.928570 0.857143 Li\n0.070095 0.070095 0.140189 Ni\n0.641522 0.641522 0.283047 Ni\n0.215619 0.215619 0.431238 Ni\n0.787047 0.787047 0.574096 Ni\n0.569188 0.569188 0.138379 O\n0.141681 0.141681 0.283361 O\n0.715461 0.715461 0.430926 O\n0.287954 0.287954 0.575907 O\n0.994694 0.994694 0.989392 F\n0.862446 0.862446 0.724895 F\n0.428571 0.428571 0.857143 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 5.042278193830692,
"density_atomic": 0.11288536421643663,
"volume": 124.01962023312085,
"volume_molar": 5.33474007175427,
"formula_full": "Li3 Ni4 O4 F3",
"formula_reduced": "Li3Ni4O4F3",
"formula_anonymous": "A3B3C4D4",
"energy_above_hull": 1.2420660319642856,
"spacegroup": 139
},
{
"id": "jvasp-30024",
"created_at": "2022-09-04T14:38:08.598936Z",
"updated_at": "2022-09-04T14:38:08.598964Z",
"structure_string": "Zn8 P16\n1.0\n7.359475 0.000000 0.000000\n0.000000 7.471123 -1.696272\n0.000000 -0.082047 8.939136\nZn P\n8 16\ndirect\n0.085182 0.475242 0.387002 Zn\n0.414818 0.975242 0.387002 Zn\n0.914819 0.524757 0.612999 Zn\n0.740399 0.147073 0.077305 Zn\n0.585182 0.024757 0.612998 Zn\n0.759602 0.647073 0.077305 Zn\n0.240398 0.352926 0.922696 Zn\n0.259602 0.852926 0.922696 Zn\n0.015349 0.694613 0.243672 P\n0.011372 0.182796 0.233092 P\n0.246691 0.645646 0.081727 P\n0.253309 0.145646 0.081727 P\n0.984652 0.305386 0.756329 P\n0.081868 0.977218 0.382828 P\n0.746691 0.854353 0.918274 P\n0.488628 0.682796 0.233092 P\n0.418132 0.477218 0.382828 P\n0.753310 0.354353 0.918274 P\n0.988629 0.817203 0.766909 P\n0.484651 0.194613 0.243672 P\n0.511372 0.317203 0.766909 P\n0.918133 0.022781 0.617173 P\n0.581868 0.522781 0.617173 P\n0.515349 0.805386 0.756329 P\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zn",
"P"
],
"chemical_system": "P-Zn",
"density": 3.449355740340103,
"density_atomic": 0.04893154701714529,
"volume": 490.4811203208139,
"volume_molar": 12.307276444560157,
"formula_full": "Zn8 P16",
"formula_reduced": "ZnP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2658404666666667,
"spacegroup": 14
},
{
"id": "jvasp-85715",
"created_at": "2022-09-04T14:38:08.597317Z",
"updated_at": "2022-09-04T14:38:08.597335Z",
"structure_string": "Cd4 P6 Cl2\n1.0\n3.958292 4.547958 -0.768893\n-3.958292 4.547958 0.768893\n-0.011748 0.000000 7.622518\nCd P Cl\n4 6 2\ndirect\n0.897844 0.404907 0.795600 Cd\n0.404907 0.897844 0.704400 Cd\n0.102156 0.595094 0.204400 Cd\n0.595094 0.102156 0.295600 Cd\n0.335292 0.570187 0.530929 P\n0.570187 0.335292 0.969071 P\n0.664708 0.429813 0.469071 P\n0.429813 0.664708 0.030929 P\n0.303324 0.303324 0.750000 P\n0.696676 0.696676 0.250000 P\n0.866340 0.866340 0.750000 Cl\n0.133661 0.133661 0.250000 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"P",
"Cl"
],
"chemical_system": "Cd-Cl-P",
"density": 4.275358446006411,
"density_atomic": 0.04373796337745695,
"volume": 274.36119730679866,
"volume_molar": 13.768681243863952,
"formula_full": "Cd4 P6 Cl2",
"formula_reduced": "Cd2P3Cl",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0983874027777778,
"spacegroup": 15
},
{
"id": "jvasp-108664",
"created_at": "2022-09-04T14:38:08.596202Z",
"updated_at": "2022-09-04T14:38:08.596225Z",
"structure_string": "Pm1 Cd1 Cu2\n1.0\n4.123828 -0.000000 2.380893\n1.374609 3.887983 2.380893\n-0.000000 -0.000000 4.761787\nPm Cd Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Cd\n0.750001 0.750000 0.749999 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Pm",
"density": 8.362843405131159,
"density_atomic": 0.05239201791085287,
"volume": 76.34750787431324,
"volume_molar": 11.494385977358068,
"formula_full": "Pm1 Cd1 Cu2",
"formula_reduced": "PmCdCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-59115",
"created_at": "2022-09-04T14:38:08.595345Z",
"updated_at": "2022-09-04T14:38:08.595368Z",
"structure_string": "Li8 H8 S8\n1.0\n7.803498 -0.000000 0.000000\n0.000000 7.803498 0.000000\n0.000000 -0.000000 6.082330\nLi H S\n8 8 8\ndirect\n0.500000 0.000000 0.250000 Li\n0.000000 0.500000 0.750000 Li\n0.500000 0.000000 0.750000 Li\n0.000000 0.500000 0.250000 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.500000 0.500000 0.750000 Li\n0.500000 0.500000 0.250000 Li\n0.191123 0.251401 0.500000 H\n0.808877 0.748599 0.500000 H\n0.748599 0.191123 0.000000 H\n0.251401 0.808877 0.000000 H\n0.751401 0.691123 0.000000 H\n0.691123 0.248599 0.500000 H\n0.308877 0.751401 0.500000 H\n0.248599 0.308877 0.000000 H\n0.517999 0.250265 0.500000 S\n0.250265 0.482001 0.000000 S\n0.749735 0.517999 0.000000 S\n0.482001 0.749735 0.500000 S\n0.982001 0.750265 0.500000 S\n0.017999 0.249735 0.500000 S\n0.750265 0.017999 0.000000 S\n0.249735 0.982001 0.000000 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"H",
"S"
],
"chemical_system": "H-Li-S",
"density": 1.4351648031074142,
"density_atomic": 0.06479815130250074,
"volume": 370.3809370727182,
"volume_molar": 9.293692241135881,
"formula_full": "Li8 H8 S8",
"formula_reduced": "LiHS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2477766666666668,
"spacegroup": 135
}
]
}