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=1188",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=1186",
"results": [
{
"id": "jvasp-65580",
"created_at": "2022-09-04T14:36:20.334108Z",
"updated_at": "2022-09-04T14:36:20.334131Z",
"structure_string": "K2 Ba1 Se1\n1.0\n4.138945 0.000000 -0.000000\n-0.000000 4.138945 -0.000000\n-0.000000 0.000000 11.458460\nK Ba Se\n2 1 1\ndirect\n0.000000 0.000000 0.991384 K\n0.500001 0.500001 0.338797 K\n0.500001 0.500001 0.650055 Ba\n0.000000 0.000000 0.519765 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Se"
],
"chemical_system": "Ba-K-Se",
"density": 2.4911773543807505,
"density_atomic": 0.020377665433850622,
"volume": 196.2933395380684,
"volume_molar": 29.552653023718033,
"formula_full": "K2 Ba1 Se1",
"formula_reduced": "K2BaSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2499999999998623e-05,
"spacegroup": 99
},
{
"id": "jvasp-105881",
"created_at": "2022-09-04T14:36:20.350650Z",
"updated_at": "2022-09-04T14:36:20.350672Z",
"structure_string": "Y2 Mg1 Hg1\n1.0\n4.566192 0.000000 2.636292\n1.522064 4.305046 2.636292\n-0.000000 -0.000000 5.272583\nY Mg Hg\n2 1 1\ndirect\n0.749999 0.750001 0.749999 Y\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Y",
"density": 6.451824754346802,
"density_atomic": 0.03859265002837639,
"volume": 103.64667876030491,
"volume_molar": 15.604372220026463,
"formula_full": "Y2 Mg1 Hg1",
"formula_reduced": "Y2MgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.969473175,
"spacegroup": 225
},
{
"id": "jvasp-63469",
"created_at": "2022-09-04T14:36:20.351765Z",
"updated_at": "2022-09-04T14:36:20.351777Z",
"structure_string": "Ga3 As3 O12\n1.0\n2.496149 -4.323442 0.000004\n2.496163 4.323450 0.000013\n0.000034 0.000011 11.569085\nGa As O\n3 3 12\ndirect\n0.446728 0.000002 0.333325 Ga\n0.000001 0.446727 0.666657 Ga\n0.553273 0.553273 0.999990 Ga\n0.444071 -0.000004 0.833323 As\n-0.000004 0.444073 0.166659 As\n0.555923 0.555923 0.499990 As\n0.302491 0.390182 0.129952 O\n0.912308 0.609813 0.536696 O\n0.697506 0.087684 0.203366 O\n0.390182 0.302490 0.870031 O\n0.607216 0.931162 0.952323 O\n0.931161 0.607216 0.047658 O\n0.323938 0.392782 0.618990 O\n0.087684 0.697506 0.796614 O\n0.676067 0.068850 0.714326 O\n0.392779 0.323936 0.380993 O\n0.068851 0.676069 0.285655 O\n0.609814 0.912308 0.463284 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ga",
"As",
"O"
],
"chemical_system": "As-Ga-O",
"density": 4.162380089633791,
"density_atomic": 0.07208447420049788,
"volume": 249.70703053107206,
"volume_molar": 8.354282703442964,
"formula_full": "Ga3 As3 O12",
"formula_reduced": "GaAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8749046791666668,
"spacegroup": 152
},
{
"id": "jvasp-65726",
"created_at": "2022-09-04T14:36:20.355137Z",
"updated_at": "2022-09-04T14:36:20.355161Z",
"structure_string": "Ba1 Nb1 Se4\n1.0\n0.000000 4.236807 4.236807\n4.236807 0.000000 4.236807\n4.236807 4.236807 0.000000\nBa Nb Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Nb\n0.121399 0.626201 0.626201 Se\n0.626201 0.626201 0.626201 Se\n0.626201 0.121399 0.626201 Se\n0.626201 0.626201 0.121399 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Se"
],
"chemical_system": "Ba-Nb-Se",
"density": 5.961479638737052,
"density_atomic": 0.03944620358687514,
"volume": 152.1058924412277,
"volume_molar": 15.26671824510822,
"formula_full": "Ba1 Nb1 Se4",
"formula_reduced": "BaNbSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.033868139444444,
"spacegroup": 216
},
{
"id": "jvasp-90546",
"created_at": "2022-09-04T14:36:20.357431Z",
"updated_at": "2022-09-04T14:36:20.357456Z",
"structure_string": "Na1 Mg6 Nb1\n1.0\n6.065311 -1.624879 0.000000\n-4.439842 7.690032 0.000000\n0.000000 0.000000 4.502626\nNa Mg Nb\n1 6 1\ndirect\n0.250198 0.375099 0.250000 Na\n0.750017 0.374936 0.250000 Mg\n0.750017 0.875079 0.250000 Mg\n0.249950 0.108052 0.750001 Mg\n0.249950 0.641899 0.750001 Mg\n0.715934 0.107968 0.750001 Mg\n0.784024 0.642012 0.750001 Mg\n0.249910 0.874955 0.250000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Nb"
],
"chemical_system": "Mg-Na-Nb",
"density": 2.448065653326437,
"density_atomic": 0.045062661104988674,
"volume": 177.53057195981614,
"volume_molar": 13.363926169316525,
"formula_full": "Na1 Mg6 Nb1",
"formula_reduced": "NaMg6Nb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-93955",
"created_at": "2022-09-04T14:36:20.359428Z",
"updated_at": "2022-09-04T14:36:20.359449Z",
"structure_string": "Cu2 O4\n1.0\n3.079206 -0.000811 -0.010025\n1.538977 2.929829 -0.600454\n0.023127 -1.523296 7.396140\nCu O\n2 4\ndirect\n-0.013895 0.027780 0.754260 Cu\n0.013919 -0.027787 0.245739 Cu\n0.558768 0.882471 0.895035 O\n0.475040 0.049946 0.415506 O\n0.441215 0.117524 0.104969 O\n0.524962 0.950064 0.584490 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 4.9625248319925,
"density_atomic": 0.09383563440474565,
"volume": 63.94159359673445,
"volume_molar": 6.417754617637493,
"formula_full": "Cu2 O4",
"formula_reduced": "CuO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.265014270833333,
"spacegroup": 12
},
{
"id": "jvasp-94080",
"created_at": "2022-09-04T14:36:20.362676Z",
"updated_at": "2022-09-04T14:36:20.362695Z",
"structure_string": "Mg6 V1 Mo1\n1.0\n6.167307 0.204072 0.000000\n-2.906922 5.034935 0.000000\n0.000000 0.000000 4.906350\nMg V Mo\n6 1 1\ndirect\n0.653247 0.326744 0.250000 Mg\n0.653248 0.826503 0.250000 Mg\n0.329875 0.159863 0.750000 Mg\n0.329876 0.670014 0.750000 Mg\n0.862168 0.181084 0.750000 Mg\n0.863229 0.681615 0.750000 Mg\n0.157229 0.328614 0.250000 V\n0.151134 0.825567 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"V",
"Mo"
],
"chemical_system": "Mg-Mo-V",
"density": 3.130562348067885,
"density_atomic": 0.051525647949017386,
"volume": 155.26248224798042,
"volume_molar": 11.687656535554241,
"formula_full": "Mg6 V1 Mo1",
"formula_reduced": "Mg6VMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.80275555,
"spacegroup": 38
},
{
"id": "jvasp-18914",
"created_at": "2022-09-04T14:36:20.363178Z",
"updated_at": "2022-09-04T14:36:20.363200Z",
"structure_string": "Np1 Se1\n1.0\n3.547817 -0.000000 2.048334\n1.182606 3.344914 2.048334\n0.000000 0.000000 4.096667\nNp Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500001 0.499999 0.499999 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"Se"
],
"chemical_system": "Np-Se",
"density": 10.792060529086989,
"density_atomic": 0.04113894646098338,
"volume": 48.61573209943093,
"volume_molar": 14.63853909266117,
"formula_full": "Np1 Se1",
"formula_reduced": "NpSe",
"formula_anonymous": "AB",
"energy_above_hull": 2.2850966833333337,
"spacegroup": 225
},
{
"id": "jvasp-86721",
"created_at": "2022-09-04T14:36:20.364488Z",
"updated_at": "2022-09-04T14:36:20.364516Z",
"structure_string": "Fe4 C2\n1.0\n3.691192 -0.000000 0.000000\n-1.845596 3.196665 -0.000000\n-0.000000 0.000000 5.237383\nFe C\n4 2\ndirect\n0.333333 0.666668 0.000000 Fe\n0.666667 0.333334 0.000000 Fe\n0.333333 0.666668 0.500000 Fe\n0.666667 0.333334 0.500000 Fe\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"C"
],
"chemical_system": "C-Fe",
"density": 6.647726664747652,
"density_atomic": 0.09708969890134113,
"volume": 61.798523096636366,
"volume_molar": 6.202656747467588,
"formula_full": "Fe4 C2",
"formula_reduced": "Fe2C",
"formula_anonymous": "AB2",
"energy_above_hull": 4.159683666666667,
"spacegroup": 191
},
{
"id": "jvasp-55000",
"created_at": "2022-09-04T14:36:20.365675Z",
"updated_at": "2022-09-04T14:36:20.365709Z",
"structure_string": "Rb2 Nb1 Cl6\n1.0\n6.117835 0.000000 3.532134\n2.039278 5.767951 3.532134\n-0.000000 0.000000 7.064269\nRb Nb Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Nb\n0.755966 0.755965 0.244034 Cl\n0.755965 0.244035 0.755964 Cl\n0.244036 0.244035 0.755964 Cl\n0.244036 0.755965 0.755964 Cl\n0.244036 0.755965 0.244035 Cl\n0.755965 0.244035 0.244034 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Nb",
"Cl"
],
"chemical_system": "Cl-Nb-Rb",
"density": 3.1745349728341066,
"density_atomic": 0.036104053081630415,
"volume": 249.27949168618858,
"volume_molar": 16.67995763906086,
"formula_full": "Rb2 Nb1 Cl6",
"formula_reduced": "Rb2NbCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3633615338888887,
"spacegroup": 225
},
{
"id": "jvasp-28707",
"created_at": "2022-09-04T14:36:20.372923Z",
"updated_at": "2022-09-04T14:36:20.372950Z",
"structure_string": "Mo3 W1 Se4 S4\n1.0\n3.257792 -0.000004 -0.000117\n-1.628899 2.821327 0.000115\n-0.001247 0.000641 34.726814\nMo W Se S\n3 1 4 4\ndirect\n0.333292 0.666644 0.095012 Mo\n0.666655 0.333303 0.279669 Mo\n0.666703 0.333355 0.656614 Mo\n0.333347 0.666698 0.471622 W\n0.333337 0.666608 0.328573 Se\n0.666660 0.333383 0.422410 Se\n0.666694 0.333339 0.520818 Se\n0.333307 0.666661 0.230777 Se\n0.333386 0.666669 0.701090 S\n0.666619 0.333351 0.050537 S\n0.666638 0.333285 0.139545 S\n0.333357 0.666714 0.612083 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.764193117408576,
"density_atomic": 0.037595843763570176,
"volume": 319.1842182200955,
"volume_molar": 16.018102420766432,
"formula_full": "Mo3 W1 Se4 S4",
"formula_reduced": "Mo3W(SeS)4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.9061975972222234,
"spacegroup": 156
},
{
"id": "jvasp-44050",
"created_at": "2022-09-04T14:36:20.373935Z",
"updated_at": "2022-09-04T14:36:20.373967Z",
"structure_string": "Mn6 O4 F8\n1.0\n3.105796 0.000000 0.000000\n0.000000 4.812293 -0.000000\n0.000000 0.000000 14.270361\nMn O F\n6 4 8\ndirect\n0.000000 0.929597 0.842723 Mn\n0.000000 0.070403 0.157277 Mn\n0.000000 0.000000 0.500000 Mn\n0.500001 0.500000 0.000000 Mn\n0.500001 0.570402 0.342723 Mn\n0.500001 0.429597 0.657277 Mn\n0.500001 0.765672 0.902021 O\n0.000000 0.734327 0.402021 O\n0.500001 0.234327 0.097979 O\n0.000000 0.265672 0.597979 O\n0.500001 0.869059 0.228149 F\n0.500001 0.209116 0.434509 F\n0.500001 0.130941 0.771851 F\n0.000000 0.290883 0.934509 F\n0.000000 0.369059 0.271851 F\n0.000000 0.709116 0.065491 F\n0.000000 0.630940 0.728149 F\n0.500001 0.790883 0.565491 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.247896584257288,
"density_atomic": 0.0843941915672923,
"volume": 213.28482050387998,
"volume_molar": 7.135728950253886,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.981655539348659,
"spacegroup": 58
}
]
}