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=nelements&page=3630",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3628",
"results": [
{
"id": "jvasp-104568",
"created_at": "2022-09-04T14:37:15.694448Z",
"updated_at": "2022-09-04T14:37:15.694464Z",
"structure_string": "Er2 Cu1 Tc1\n1.0\n4.154379 -0.000000 2.398532\n1.384793 3.916786 2.398532\n-0.000000 -0.000000 4.797064\nEr Cu Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.750001 0.749999 Er\n0.500000 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Cu",
"Tc"
],
"chemical_system": "Cu-Er-Tc",
"density": 10.552985407727826,
"density_atomic": 0.0512446487433275,
"volume": 78.05693078383788,
"volume_molar": 11.751745611846221,
"formula_full": "Er2 Cu1 Tc1",
"formula_reduced": "Er2CuTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8869454875,
"spacegroup": 225
},
{
"id": "jvasp-11023",
"created_at": "2022-09-04T14:37:15.707988Z",
"updated_at": "2022-09-04T14:37:15.708003Z",
"structure_string": "Mg1 Ni4 O8\n1.0\n2.899816 0.000082 0.000020\n-1.449458 6.614416 0.009329\n-1.449741 -0.680487 6.806052\nMg Ni O\n1 4 8\ndirect\n0.531739 0.887308 0.176283 Mg\n0.194044 0.827155 0.561063 Ni\n0.350623 0.495380 0.206004 Ni\n0.675118 0.509937 0.840446 Ni\n0.847887 0.197484 0.498401 Ni\n0.476548 0.344743 0.608494 O\n0.223064 0.674249 0.772052 O\n0.807248 0.338886 0.275716 O\n0.559140 0.698542 0.419825 O\n0.832854 0.990346 0.675542 O\n0.883103 0.674705 0.091635 O\n0.189320 0.020812 0.357954 O\n0.155725 0.364343 0.947229 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.922900234157075,
"density_atomic": 0.0995683965644506,
"volume": 130.56351662332037,
"volume_molar": 6.048245194047962,
"formula_full": "Mg1 Ni4 O8",
"formula_reduced": "Mg(NiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.0478505115384618,
"spacegroup": 8
},
{
"id": "jvasp-82096",
"created_at": "2022-09-04T14:37:15.760499Z",
"updated_at": "2022-09-04T14:37:15.760511Z",
"structure_string": "Li1 Zn1 Cd2\n1.0\n-10.876286 2.096216 -2.856322\n-7.584655 1.140025 0.717675\n-6.650785 3.781415 -0.899838\nLi Zn Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000001 Zn\n0.744531 0.003992 0.003992 Cd\n0.255468 -0.003991 -0.003990 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cd"
],
"chemical_system": "Cd-Li-Zn",
"density": 6.439907986606104,
"density_atomic": 0.05220146230491754,
"volume": 76.62620592188253,
"volume_molar": 11.536344949158055,
"formula_full": "Li1 Zn1 Cd2",
"formula_reduced": "LiZnCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0220199999999999,
"spacegroup": 12
},
{
"id": "jvasp-103370",
"created_at": "2022-09-04T14:37:15.775691Z",
"updated_at": "2022-09-04T14:37:15.775724Z",
"structure_string": "Np2 S1 O2\n1.0\n3.856793 -0.000000 -0.000000\n-1.928396 3.340080 -0.000000\n0.000000 -0.000000 6.601730\nNp S O\n2 1 2\ndirect\n0.333332 0.666667 0.274836 Np\n0.666666 0.333333 0.725164 Np\n0.000000 0.000000 0.000000 S\n0.333332 0.666667 0.628308 O\n0.666666 0.333333 0.371692 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"S",
"O"
],
"chemical_system": "Np-O-S",
"density": 10.506109291352924,
"density_atomic": 0.05879346372524565,
"volume": 85.04346713379675,
"volume_molar": 10.242874595963157,
"formula_full": "Np2 S1 O2",
"formula_reduced": "Np2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.8968294,
"spacegroup": 164
},
{
"id": "jvasp-80862",
"created_at": "2022-09-04T14:37:15.777670Z",
"updated_at": "2022-09-04T14:37:15.777688Z",
"structure_string": "Sr2 Ag1 Sb1\n1.0\n-10.513491 0.000013 -6.069946\n-10.892369 -0.012604 6.726180\n-7.129351 10.630815 0.208443\nSr Ag Sb\n2 1 1\ndirect\n0.740453 -0.000000 -0.000000 Sr\n0.259547 -0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Ag\n0.500000 -0.000000 -0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ag",
"Sb"
],
"chemical_system": "Ag-Sb-Sr",
"density": 0.46199632687603553,
"density_atomic": 0.0027487532110567624,
"volume": 1455.205212279568,
"volume_molar": 219.08626557583096,
"formula_full": "Sr2 Ag1 Sb1",
"formula_reduced": "Sr2AgSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.266956495,
"spacegroup": 71
},
{
"id": "jvasp-81751",
"created_at": "2022-09-04T14:37:15.824441Z",
"updated_at": "2022-09-04T14:37:15.824465Z",
"structure_string": "Li1 Ca2 Ag1\n1.0\n-15.137091 0.006375 -8.744609\n-8.860040 -0.440716 -2.131218\n-7.792183 2.589812 -3.989105\nLi Ca Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.668549 0.999517 0.000479 Ca\n0.331452 0.000483 0.999517 Ca\n0.500001 -0.000000 -0.000001 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca-Li",
"density": 2.6888706760983063,
"density_atomic": 0.03322184205693372,
"volume": 120.40271557323717,
"volume_molar": 18.12705252670696,
"formula_full": "Li1 Ca2 Ag1",
"formula_reduced": "LiCa2Ag",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0156,
"spacegroup": 139
},
{
"id": "jvasp-85031",
"created_at": "2022-09-04T14:37:15.567366Z",
"updated_at": "2022-09-04T14:37:15.567386Z",
"structure_string": "Al2 Cr1 Tc1\n1.0\n-8.893479 -0.000000 -5.134653\n-8.953624 -0.003012 5.238828\n-5.947615 8.499267 0.032266\nAl Cr Tc\n2 1 1\ndirect\n0.738367 0.000000 0.000000 Al\n0.261633 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cr",
"Tc"
],
"chemical_system": "Al-Cr-Tc",
"density": 0.43043945546513296,
"density_atomic": 0.0050836976809780525,
"volume": 786.8288499859102,
"volume_molar": 118.4598522161019,
"formula_full": "Al2 Cr1 Tc1",
"formula_reduced": "Al2CrTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.112583625,
"spacegroup": 71
},
{
"id": "jvasp-80761",
"created_at": "2022-09-04T14:37:15.578969Z",
"updated_at": "2022-09-04T14:37:15.578987Z",
"structure_string": "Sr1 Li2 Tl1\n1.0\n-10.857392 -0.000001 -6.268517\n-7.079617 -0.030185 -0.274778\n-5.964774 3.123069 -2.205744\nSr Li Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.715859 -0.000001 0.000000 Li\n0.284141 -0.000000 0.000000 Li\n0.500000 -0.000001 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Tl"
],
"chemical_system": "Li-Sr-Tl",
"density": 3.9166421638053284,
"density_atomic": 0.030843679542805983,
"volume": 129.68621316560672,
"volume_molar": 19.52471575786622,
"formula_full": "Sr1 Li2 Tl1",
"formula_reduced": "SrLi2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.207694075,
"spacegroup": 71
},
{
"id": "jvasp-80190",
"created_at": "2022-09-04T14:37:15.584006Z",
"updated_at": "2022-09-04T14:37:15.584022Z",
"structure_string": "Hf1 Tl1 Au2\n1.0\n-10.102861 0.001585 -5.834180\n-3.553191 -0.349418 -5.512598\n-4.386649 -2.707970 -4.068045\nHf Tl Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 -0.000000 0.000001 Tl\n0.770162 -0.000036 0.000037 Au\n0.229838 0.000035 -0.000035 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Tl",
"Au"
],
"chemical_system": "Au-Hf-Tl",
"density": 14.448629485491097,
"density_atomic": 0.0448048194887814,
"volume": 89.27611015153299,
"volume_molar": 13.440832545944915,
"formula_full": "Hf1 Tl1 Au2",
"formula_reduced": "HfTlAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.456057685,
"spacegroup": 71
},
{
"id": "jvasp-13412",
"created_at": "2022-09-04T14:37:15.591618Z",
"updated_at": "2022-09-04T14:37:15.591641Z",
"structure_string": "Ag2 Xe2 F18\n1.0\n5.380944 -0.000001 -1.424135\n-0.376914 5.367727 -1.424135\n0.084488 0.090629 11.196962\nAg Xe F\n2 2 18\ndirect\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.151106 0.151106 0.302212 Xe\n0.848895 0.848895 0.697789 Xe\n0.634050 0.096196 0.872651 F\n0.776456 0.634050 0.872652 F\n0.096196 0.238603 0.872651 F\n0.238603 0.776456 0.872652 F\n0.761397 0.223544 0.127349 F\n0.903805 0.761398 0.127349 F\n0.984427 0.514948 0.659195 F\n0.365951 0.903805 0.127349 F\n0.674768 0.144247 0.659195 F\n0.015574 0.485053 0.340806 F\n0.855753 0.015574 0.340806 F\n0.485053 0.325232 0.340806 F\n0.325233 0.855754 0.340806 F\n0.754159 0.754159 0.508319 F\n0.245842 0.245842 0.491682 F\n0.223544 0.365950 0.127349 F\n0.514948 0.674769 0.659195 F\n0.144247 0.984427 0.659195 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ag",
"Xe",
"F"
],
"chemical_system": "Ag-F-Xe",
"density": 4.193803582100144,
"density_atomic": 0.06773487224368323,
"volume": 324.79577020316384,
"volume_molar": 8.890753847345758,
"formula_full": "Ag2 Xe2 F18",
"formula_reduced": "AgXeF9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.0,
"spacegroup": 87
},
{
"id": "jvasp-9628",
"created_at": "2022-09-04T14:37:15.596795Z",
"updated_at": "2022-09-04T14:37:15.596815Z",
"structure_string": "Ca4 Fe4 O10\n1.0\n0.000000 5.308825 -0.000317\n3.770691 0.000000 0.000000\n0.000000 -0.000116 -10.141479\nCa Fe O\n4 4 10\ndirect\n0.806170 0.500000 0.866112 Ca\n0.193831 0.500000 0.133887 Ca\n0.306168 0.500000 0.633886 Ca\n0.693831 0.500000 0.366115 Ca\n0.782061 0.000000 0.618044 Fe\n0.217939 0.000000 0.381957 Fe\n0.717943 0.000000 0.118046 Fe\n0.282057 0.000000 0.881954 Fe\n0.792119 0.500000 0.604815 O\n0.076897 0.000000 0.715395 O\n0.292122 0.500000 0.895184 O\n0.707879 0.500000 0.104816 O\n0.500000 0.000000 0.500000 O\n0.423101 0.000000 0.215393 O\n0.923102 0.000000 0.284605 O\n0.000000 0.000000 0.000000 O\n0.576899 0.000000 0.784607 O\n0.207880 0.500000 0.395186 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.447096951052101,
"density_atomic": 0.08866492585673268,
"volume": 203.01150456139686,
"volume_molar": 6.7920214242673,
"formula_full": "Ca4 Fe4 O10",
"formula_reduced": "Ca2Fe2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.121486593333333,
"spacegroup": 55
},
{
"id": "jvasp-81349",
"created_at": "2022-09-04T14:37:15.600281Z",
"updated_at": "2022-09-04T14:37:15.600310Z",
"structure_string": "Ti2 Mo1 Au1\n1.0\n-9.423838 3.625255 -3.550872\n-6.494353 2.435779 0.382529\n-6.212624 4.807371 -1.151098\nTi Mo Au\n2 1 1\ndirect\n0.730929 -0.058605 0.097592 Ti\n0.269077 0.058608 -0.097603 Ti\n-0.000001 0.000019 -0.000019 Mo\n0.499994 -0.000021 0.000032 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mo",
"Au"
],
"chemical_system": "Au-Mo-Ti",
"density": 9.903617569675031,
"density_atomic": 0.06138420310763058,
"volume": 65.16334492420519,
"volume_molar": 9.810570888149881,
"formula_full": "Ti2 Mo1 Au1",
"formula_reduced": "Ti2MoAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.469625034166667,
"spacegroup": 10
}
]
}