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=density&page=410",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=408",
"results": [
{
"id": "jvasp-62718",
"created_at": "2022-09-04T14:35:41.141266Z",
"updated_at": "2022-09-04T14:35:41.141299Z",
"structure_string": "Ca2 B4 C4\n1.0\n3.788112 -0.000000 0.000000\n-0.000000 3.788112 0.000000\n0.000000 0.000000 7.510786\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.500000 0.218886 0.500000 B\n0.500000 0.781113 0.500000 B\n0.781113 0.500000 0.000000 B\n0.218886 0.500000 0.000000 B\n0.184732 0.500000 0.500000 C\n0.815268 0.500000 0.500000 C\n0.500000 0.184732 0.000000 C\n0.500000 0.815268 0.000000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 2.641419249492718,
"density_atomic": 0.09278312377140262,
"volume": 107.77822079624974,
"volume_molar": 6.490556164973753,
"formula_full": "Ca2 B4 C4",
"formula_reduced": "Ca(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.326955117333334,
"spacegroup": 131
},
{
"id": "jvasp-96795",
"created_at": "2022-09-04T14:35:42.233422Z",
"updated_at": "2022-09-04T14:35:42.233432Z",
"structure_string": "K2 Na2 S4 O14\n1.0\n5.875074 -0.117401 -0.078094\n-0.684338 6.960259 -1.349020\n-0.008269 0.097222 7.319642\nK Na S O\n2 2 4 14\ndirect\n0.208086 0.781679 0.431374 K\n0.791912 0.218320 0.568626 K\n0.189683 0.652260 0.900889 Na\n0.810316 0.347740 0.099111 Na\n0.694350 0.716732 0.687171 S\n0.717286 0.830426 0.097441 S\n0.282713 0.169574 0.902559 S\n0.305648 0.283268 0.312829 S\n0.716602 0.840753 0.549872 O\n0.224338 0.977812 0.798076 O\n0.283397 0.159247 0.450128 O\n0.117957 0.400136 0.309951 O\n0.469038 0.611775 0.690615 O\n0.109457 0.299907 0.890822 O\n0.890542 0.700093 0.109178 O\n0.271899 0.121689 0.117485 O\n0.530961 0.388225 0.309386 O\n0.882042 0.599864 0.690050 O\n0.514020 0.256527 0.882920 O\n0.728100 0.878311 0.882515 O\n0.485979 0.743473 0.117080 O\n0.775661 0.022188 0.201924 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Na",
"S",
"O"
],
"chemical_system": "K-Na-O-S",
"density": 2.641519153348677,
"density_atomic": 0.07345651299316738,
"volume": 299.4969282308071,
"volume_molar": 8.198239359061537,
"formula_full": "K2 Na2 S4 O14",
"formula_reduced": "KNaS2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 1.9363792272727267,
"spacegroup": 2
},
{
"id": "jvasp-63225",
"created_at": "2022-09-04T14:36:18.070346Z",
"updated_at": "2022-09-04T14:36:18.070370Z",
"structure_string": "Ca2 B4 C4\n1.0\n3.788066 -0.000000 0.000000\n0.000000 3.788066 0.000000\n0.000000 0.000000 7.510322\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500001 0.218892 0.000000 B\n0.500001 0.781109 0.000000 B\n0.218892 0.500001 0.500000 B\n0.781109 0.500001 0.500000 B\n0.184731 0.500001 0.000000 C\n0.815270 0.500001 0.000000 C\n0.500001 0.815270 0.500000 C\n0.500001 0.184731 0.500000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 2.6416465966753586,
"density_atomic": 0.09279110962286868,
"volume": 107.76894511384813,
"volume_molar": 6.489997570323077,
"formula_full": "Ca2 B4 C4",
"formula_reduced": "Ca(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.326955117333334,
"spacegroup": 131
},
{
"id": "jvasp-78577",
"created_at": "2022-09-04T14:36:31.819516Z",
"updated_at": "2022-09-04T14:36:31.819551Z",
"structure_string": "Li1 O2\n1.0\n2.363771 -0.463045 2.195615\n0.661998 2.315941 2.195615\n-0.756149 -0.463045 3.136300\nLi O\n1 2\ndirect\n0.500002 0.499999 0.500001 Li\n0.250009 0.250005 0.250008 O\n0.749997 0.749990 0.749996 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.6419823817233428,
"density_atomic": 0.1225768221229409,
"volume": 24.474447518235458,
"volume_molar": 4.912952265934887,
"formula_full": "Li1 O2",
"formula_reduced": "LiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.564935666666667,
"spacegroup": 225
},
{
"id": "jvasp-47329",
"created_at": "2022-09-04T14:38:07.958327Z",
"updated_at": "2022-09-04T14:38:07.958357Z",
"structure_string": "Li4 V1 F8\n1.0\n0.000000 4.988412 -0.032994\n6.038127 0.000000 0.000000\n0.000000 -1.881738 -4.800158\nLi V F\n4 1 8\ndirect\n-0.000000 0.821947 0.500000 Li\n0.500000 0.006677 0.500000 Li\n0.500000 0.767388 -0.000000 Li\n0.500000 0.203514 -0.000000 Li\n0.500000 0.493669 0.500000 V\n0.708697 0.512912 0.264071 F\n0.702949 0.982427 0.257409 F\n0.739544 0.722045 0.712781 F\n0.714675 0.272778 0.730296 F\n0.285324 0.272778 0.269704 F\n0.260455 0.722045 0.287219 F\n0.297050 0.982427 0.742591 F\n0.291302 0.512912 0.735928 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.6426418365823605,
"density_atomic": 0.08968063213503696,
"volume": 144.95883548663215,
"volume_molar": 6.715096243893708,
"formula_full": "Li4 V1 F8",
"formula_reduced": "Li4VF8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.3295335738461539,
"spacegroup": 3
},
{
"id": "jvasp-69110",
"created_at": "2022-09-04T14:36:11.878640Z",
"updated_at": "2022-09-04T14:36:11.878668Z",
"structure_string": "Ba1 Sr1 Ca2\n1.0\n4.595800 0.000000 0.000000\n0.000000 4.627287 0.000000\n0.000000 0.000000 9.015077\nBa Sr Ca\n1 1 2\ndirect\n0.500000 0.500000 0.764988 Ba\n0.000000 0.000000 0.477644 Sr\n0.000000 0.000000 0.022254 Ca\n0.500000 0.500000 0.235114 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Ca"
],
"chemical_system": "Ba-Ca-Sr",
"density": 2.6426434869189115,
"density_atomic": 0.020864260347781004,
"volume": 191.71539912390978,
"volume_molar": 28.863427984594132,
"formula_full": "Ba1 Sr1 Ca2",
"formula_reduced": "BaSrCa2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-118730",
"created_at": "2022-09-04T14:38:50.291333Z",
"updated_at": "2022-09-04T14:38:50.291358Z",
"structure_string": "Sr1 Mg1 Si1\n1.0\n5.374925 -0.000000 0.000000\n-2.687463 4.654822 -0.000000\n0.000000 -0.000000 3.516312\nSr Mg Si\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.000000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 2.642693608645798,
"density_atomic": 0.034100312981491646,
"volume": 87.97573211800977,
"volume_molar": 17.660074742623593,
"formula_full": "Sr1 Mg1 Si1",
"formula_reduced": "SrMgSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7762724749999999,
"spacegroup": 187
},
{
"id": "jvasp-94367",
"created_at": "2022-09-04T14:36:17.585871Z",
"updated_at": "2022-09-04T14:36:17.585898Z",
"structure_string": "Sr5 Mg1\n1.0\n4.176761 -0.000000 0.000000\n-2.088380 3.617181 -0.000000\n-0.000000 0.000000 19.226555\nSr Mg\n5 1\ndirect\n0.666667 0.333333 0.860181 Sr\n0.333333 0.666667 0.679674 Sr\n0.666667 0.333333 0.500000 Sr\n0.333333 0.666667 0.320326 Sr\n0.666667 0.333333 0.139818 Sr\n0.333333 0.666667 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.643384129922763,
"density_atomic": 0.020655699638169416,
"volume": 290.47672579982105,
"volume_molar": 29.1548621711741,
"formula_full": "Sr5 Mg1",
"formula_reduced": "Sr5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.00028,
"spacegroup": 187
},
{
"id": "jvasp-78423",
"created_at": "2022-09-04T14:37:17.824196Z",
"updated_at": "2022-09-04T14:37:17.824210Z",
"structure_string": "Cl1 O1\n1.0\n3.185321 -0.000000 0.000000\n0.000000 3.185321 -0.000000\n0.000000 0.000000 3.185321\nCl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.643596208422184,
"density_atomic": 0.06188286060600608,
"volume": 32.31912649826483,
"volume_molar": 9.731516450639836,
"formula_full": "Cl1 O1",
"formula_reduced": "ClO",
"formula_anonymous": "AB",
"energy_above_hull": 1.56049878375,
"spacegroup": 221
},
{
"id": "jvasp-101374",
"created_at": "2022-09-04T14:36:32.017805Z",
"updated_at": "2022-09-04T14:36:32.017827Z",
"structure_string": "Al4 Te4 Cl28\n1.0\n6.381655 -0.023744 -0.752371\n-1.127175 8.194025 -0.455226\n0.132808 0.069729 19.340826\nAl Te Cl\n4 4 28\ndirect\n0.307884 0.098354 0.396503 Al\n0.709723 0.334589 0.877226 Al\n0.692117 0.901647 0.603497 Al\n0.290278 0.665412 0.122774 Al\n0.714863 0.274899 0.108893 Te\n0.253060 0.281999 0.619801 Te\n0.285137 0.725102 0.891107 Te\n0.746941 0.718002 0.380199 Te\n0.613700 0.049980 0.367980 Cl\n0.134190 0.966874 0.878733 Cl\n0.381725 0.147528 0.056160 Cl\n0.661219 0.130760 0.804137 Cl\n0.117092 0.163020 0.309053 Cl\n0.624303 0.291116 0.222674 Cl\n0.865408 0.740441 0.270033 Cl\n0.093866 0.715211 0.029033 Cl\n0.829666 0.113553 0.553218 Cl\n0.860847 0.550011 0.832395 Cl\n0.405695 0.587532 0.338063 Cl\n0.112703 0.526114 0.598807 Cl\n0.627227 0.696491 0.524856 Cl\n0.170335 0.886448 0.446782 Cl\n0.139154 0.449990 0.167605 Cl\n0.411185 0.392992 0.909157 Cl\n0.386300 0.950021 0.632020 Cl\n0.882909 0.836981 0.690947 Cl\n0.906134 0.284790 0.970967 Cl\n0.375697 0.708885 0.777326 Cl\n0.588816 0.607009 0.090843 Cl\n0.865811 0.033127 0.121267 Cl\n0.134593 0.259560 0.729967 Cl\n0.338781 0.869241 0.195863 Cl\n0.618275 0.852473 0.943840 Cl\n0.594306 0.412469 0.661937 Cl\n0.887298 0.473887 0.401193 Cl\n0.372774 0.303510 0.475144 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Al",
"Te",
"Cl"
],
"chemical_system": "Al-Cl-Te",
"density": 2.64362295923531,
"density_atomic": 0.03557579717300393,
"volume": 1011.9239162774958,
"volume_molar": 16.92763406175982,
"formula_full": "Al4 Te4 Cl28",
"formula_reduced": "AlTeCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.3172065599074074,
"spacegroup": 2
},
{
"id": "jvasp-66213",
"created_at": "2022-09-04T14:35:51.339517Z",
"updated_at": "2022-09-04T14:35:51.339552Z",
"structure_string": "Ba1 Na1 V1\n1.0\n-0.000000 4.048342 4.048342\n4.048342 0.000000 4.048342\n4.048342 4.048342 0.000000\nBa Na V\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 V\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"V"
],
"chemical_system": "Ba-Na-V",
"density": 2.6436334407954596,
"density_atomic": 0.022607871528164084,
"volume": 132.69714472070962,
"volume_molar": 26.63736279860681,
"formula_full": "Ba1 Na1 V1",
"formula_reduced": "BaNaV",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4170697233333334,
"spacegroup": 216
},
{
"id": "jvasp-43994",
"created_at": "2022-09-04T14:36:02.762582Z",
"updated_at": "2022-09-04T14:36:02.762603Z",
"structure_string": "Li1 V1 P4 H4 O14\n1.0\n5.304672 0.143520 -0.015167\n2.611446 6.508044 -0.347920\n1.192485 0.346923 7.517687\nLi V P H O\n1 1 4 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000001 0.500000 0.000000 V\n0.332983 0.238609 0.314183 P\n0.372816 0.651168 0.226890 P\n0.627184 0.348831 0.773110 P\n0.667017 0.761390 0.685817 P\n0.055119 0.811481 0.446140 H\n0.673599 0.940778 0.338206 H\n0.326401 0.059221 0.661794 H\n0.944881 0.188518 0.553860 H\n0.823331 0.308095 0.911650 O\n0.653643 0.652083 0.156706 O\n0.579396 0.568012 0.683294 O\n0.759803 0.186173 0.619247 O\n0.382103 0.943811 0.753224 O\n0.617897 0.056188 0.246776 O\n0.216570 0.208813 0.501775 O\n0.420604 0.431987 0.316706 O\n0.346358 0.347916 0.843294 O\n0.176669 0.691904 0.088350 O\n0.783430 0.791186 0.498225 O\n0.133452 0.279855 0.179768 O\n0.240198 0.813825 0.380753 O\n0.866549 0.720144 0.820232 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.643702641552617,
"density_atomic": 0.0932399072606187,
"volume": 257.4005134187512,
"volume_molar": 6.458758847933286,
"formula_full": "Li1 V1 P4 H4 O14",
"formula_reduced": "LiVP4(H2O7)2",
"formula_anonymous": "ABC4D4E14",
"energy_above_hull": 3.159298966666667,
"spacegroup": 2
}
]
}