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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4525",
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"results": [
{
"id": "jvasp-51637",
"created_at": "2022-09-04T14:38:36.313792Z",
"updated_at": "2022-09-04T14:38:36.313813Z",
"structure_string": "Si12 N16\n1.0\n4.585465 0.000000 0.000000\n0.000000 5.589829 0.000000\n0.000000 0.000000 9.529726\nSi N\n12 16\ndirect\n0.559674 0.750000 0.093490 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.988801 0.250000 0.724966 Si\n0.511197 0.250000 0.224966 Si\n0.011198 0.750000 0.275034 Si\n0.440325 0.250000 0.906511 Si\n0.488802 0.750000 0.775035 Si\n0.059674 0.250000 0.406510 Si\n0.940325 0.750000 0.593490 Si\n0.257355 0.495331 0.837403 N\n0.742294 0.750000 0.929348 N\n0.687841 0.250000 0.408163 N\n0.257355 0.004670 0.837403 N\n0.257705 0.250000 0.070653 N\n0.742644 0.995331 0.162598 N\n0.757705 0.750000 0.429347 N\n0.187841 0.750000 0.091837 N\n0.757355 0.995331 0.662598 N\n0.757355 0.504670 0.662598 N\n0.242294 0.250000 0.570653 N\n0.242644 0.004670 0.337402 N\n0.242644 0.495331 0.337402 N\n0.312158 0.750000 0.591838 N\n0.742644 0.504670 0.162598 N\n0.812158 0.250000 0.908163 N\n",
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"elements": [
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],
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"volume": 244.26560553569755,
"volume_molar": 5.253578069152163,
"formula_full": "Si12 N16",
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"formula_anonymous": "A3B4",
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},
{
"id": "jvasp-45795",
"created_at": "2022-09-04T14:38:07.692112Z",
"updated_at": "2022-09-04T14:38:07.692132Z",
"structure_string": "Li3 Mn1 Fe3 O8\n1.0\n5.629781 -0.001021 -0.009302\n-2.813734 4.859440 -0.012111\n-2.806476 -1.628647 4.793410\nLi Mn Fe O\n3 1 3 8\ndirect\n0.999999 0.500000 0.500000 Li\n-0.000000 0.000000 0.500000 Li\n0.499999 -0.000000 0.500000 Li\n-0.000000 -0.000000 0.000000 Mn\n0.000001 0.500000 0.000000 Fe\n0.500001 0.500000 0.000001 Fe\n0.500000 -0.000001 0.000000 Fe\n0.015327 0.256025 0.774574 O\n0.520833 0.257099 0.784529 O\n0.519912 0.762670 0.781652 O\n0.024465 0.762672 0.781642 O\n0.975534 0.237327 0.218358 O\n0.480087 0.237329 0.218348 O\n0.479167 0.742900 0.215472 O\n0.984673 0.743975 0.225426 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.7121312638514175,
"density_atomic": 0.11464228476616703,
"volume": 130.84177474825384,
"volume_molar": 5.252983898814655,
"formula_full": "Li3 Mn1 Fe3 O8",
"formula_reduced": "Li3MnFe3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.853972116091954,
"spacegroup": 12
},
{
"id": "jvasp-112176",
"created_at": "2022-09-04T14:38:45.984841Z",
"updated_at": "2022-09-04T14:38:45.984873Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.717754 0.118743 0.379725\n1.427753 4.346905 0.533581\n0.311841 0.109895 10.403377\nCd H C O\n1 8 6 4\ndirect\n0.721121 0.228993 0.798208 Cd\n0.565970 0.502592 0.484490 H\n0.185948 0.370072 0.483139 H\n0.212072 0.013952 0.362132 H\n0.625730 0.564079 0.234516 H\n0.256275 0.087910 0.113276 H\n0.876294 0.955329 0.111939 H\n0.816600 0.893913 0.361888 H\n0.230292 0.443993 0.234287 H\n0.362938 0.739864 0.985493 C\n0.189771 0.873083 0.114024 C\n0.311276 0.651272 0.235674 C\n0.079323 0.718098 0.610927 C\n0.252496 0.584876 0.482395 C\n0.131050 0.806691 0.360741 C\n0.542656 0.449808 0.986550 O\n0.899607 0.008154 0.609874 O\n0.122118 0.530874 0.716142 O\n0.320136 0.927085 0.880277 O\n",
"nsites": 19,
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"elements": [
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"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.5707033954312095,
"density_atomic": 0.11465885859440335,
"volume": 165.7089581469758,
"volume_molar": 5.2522245850212474,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.252859671052631,
"spacegroup": 2
},
{
"id": "jvasp-34235",
"created_at": "2022-09-04T14:36:40.355977Z",
"updated_at": "2022-09-04T14:36:40.356005Z",
"structure_string": "Li4 C1 O4\n1.0\n4.467023 -0.262994 -1.485920\n-0.503616 3.999650 -2.221848\n-0.546271 -0.110145 4.693508\nLi C O\n4 1 4\ndirect\n0.100352 0.233236 0.745676 Li\n0.461125 0.753192 0.690517 Li\n0.899650 0.487556 0.254327 Li\n0.538875 0.062671 0.309486 Li\n-0.000002 0.773833 -0.000001 C\n0.104280 0.845754 0.796738 O\n0.260969 0.704905 0.232597 O\n0.739026 0.472309 0.767400 O\n0.895720 0.049015 0.203263 O\n",
"nsites": 9,
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"elements": [
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"O"
],
"chemical_system": "C-Li-O",
"density": 2.1953108164696657,
"density_atomic": 0.11465895694679225,
"volume": 78.49364968649131,
"volume_molar": 5.252220079757562,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.214161555555556,
"spacegroup": 5
},
{
"id": "jvasp-101952",
"created_at": "2022-09-04T14:36:47.479361Z",
"updated_at": "2022-09-04T14:36:47.479370Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.063340 -0.115967 -0.278640\n-0.996942 4.200739 -0.387402\n-0.030213 -0.013224 8.234216\nCd H C O\n1 6 5 4\ndirect\n0.791678 0.342719 0.244145 Cd\n0.451789 0.748284 0.552066 H\n0.499068 0.118989 0.670422 H\n0.864760 0.549783 0.630671 H\n-0.000784 0.381169 0.879584 H\n0.909473 0.902369 0.763250 H\n0.403910 0.482686 0.807545 H\n0.153567 0.024710 0.453976 C\n0.311302 0.914167 0.601911 C\n0.051815 0.740718 0.710319 C\n0.197546 0.582941 0.848475 C\n0.341368 0.792585 0.007947 C\n0.864349 0.863757 0.382844 O\n0.305685 0.288653 0.401567 O\n0.557073 0.064413 0.002620 O\n0.256676 0.687686 0.142164 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.885952772424385,
"density_atomic": 0.11466501149691004,
"volume": 139.53689788302304,
"volume_molar": 5.251942751658192,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122310234375,
"spacegroup": 1
},
{
"id": "jvasp-113653",
"created_at": "2022-09-04T14:38:46.720353Z",
"updated_at": "2022-09-04T14:38:46.720370Z",
"structure_string": "Al2 H2 O2\n1.0\n3.376998 0.000000 0.000000\n0.000000 3.376998 0.000000\n0.000000 -0.000000 4.587941\nAl H O\n2 2 2\ndirect\n0.000000 0.500000 0.694159 Al\n0.500000 0.000000 0.305840 Al\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 6,
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"elements": [
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"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.7921744753876663,
"density_atomic": 0.1146758107382706,
"volume": 52.32140903450032,
"volume_molar": 5.251448166121611,
"formula_full": "Al2 H2 O2",
"formula_reduced": "AlHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5139621000000003,
"spacegroup": 129
},
{
"id": "jvasp-101878",
"created_at": "2022-09-04T14:36:53.560737Z",
"updated_at": "2022-09-04T14:36:53.560760Z",
"structure_string": "Sn1 H14 C8 O4\n1.0\n4.651507 0.006162 0.604724\n1.346151 5.888379 0.239885\n-0.090182 -0.207434 8.582879\nSn H C O\n1 14 8 4\ndirect\n0.932682 0.723751 0.743123 Sn\n0.173271 0.083152 0.368634 H\n0.915287 0.444029 0.985622 H\n0.531382 0.092652 0.670386 H\n0.723991 0.939955 0.497064 H\n0.895005 0.128312 0.597129 H\n0.527501 0.971654 0.268246 H\n0.716428 0.364206 0.836078 H\n0.114798 0.423473 0.195127 H\n0.470050 0.313001 0.094193 H\n0.548305 0.583187 0.279111 H\n0.671910 0.323252 0.366347 H\n0.102429 0.810695 0.181106 H\n0.961786 0.074563 0.102734 H\n0.112671 0.282650 0.814756 H\n0.168508 0.964909 0.133312 C\n0.471749 0.434625 0.329314 C\n0.335788 0.318672 0.209208 C\n0.307368 0.077516 0.253939 C\n0.368441 0.891363 0.982401 C\n0.918329 0.413345 0.859990 C\n0.748342 0.009911 0.610592 C\n0.264087 0.518158 0.475858 C\n0.005237 0.486804 0.495395 O\n0.638035 0.896853 0.974789 O\n0.270079 0.819990 0.863608 O\n0.352462 0.629081 0.581603 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.0662162544681433,
"density_atomic": 0.11470031326651953,
"volume": 235.39604410026638,
"volume_molar": 5.250326340440637,
"formula_full": "Sn1 H14 C8 O4",
"formula_reduced": "SnH14(C2O)4",
"formula_anonymous": "AB4C8D14",
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"spacegroup": 1
},
{
"id": "jvasp-14027",
"created_at": "2022-09-04T14:35:52.436881Z",
"updated_at": "2022-09-04T14:35:52.436899Z",
"structure_string": "Li4 B4 H4\n1.0\n3.074725 -0.000000 0.000000\n0.000000 5.183097 0.000000\n0.000000 0.000000 6.564728\nLi B H\n4 4 4\ndirect\n0.749999 0.172900 0.329654 Li\n0.250000 0.327100 0.829654 Li\n0.749999 0.672900 0.170346 Li\n0.250000 0.827101 0.670346 Li\n0.250000 0.939545 0.006138 B\n0.250000 0.439544 0.493862 B\n0.749999 0.560456 0.506138 B\n0.749999 0.060456 0.993863 B\n0.250000 0.193746 0.505164 H\n0.250000 0.693747 -0.005164 H\n0.749999 0.806254 0.494836 H\n0.749999 0.306254 0.005164 H\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 1.1910450314953562,
"density_atomic": 0.11470144627822446,
"volume": 104.61943061199347,
"volume_molar": 5.250274478137313,
"formula_full": "Li4 B4 H4",
"formula_reduced": "LiBH",
"formula_anonymous": "ABC",
"energy_above_hull": 2.196504194444445,
"spacegroup": 62
},
{
"id": "jvasp-34267",
"created_at": "2022-09-04T14:37:15.712620Z",
"updated_at": "2022-09-04T14:37:15.712640Z",
"structure_string": "Li4 C1 O4\n1.0\n4.175075 -0.000265 -1.933796\n-0.953450 4.131470 -2.058666\n-0.203752 -0.645223 5.033803\nLi C O\n4 1 4\ndirect\n0.285892 0.354742 0.254442 Li\n0.765718 0.770655 0.309380 Li\n0.456303 0.229336 0.690628 Li\n0.031430 0.645232 0.745568 Li\n0.745372 0.000005 -0.000007 C\n0.814373 0.028439 0.767415 O\n0.046947 0.971581 0.232566 O\n0.673379 0.307551 0.203203 O\n0.470171 0.692455 0.796794 O\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "C-Li-O",
"density": 2.1961285479347485,
"density_atomic": 0.11470166626892812,
"volume": 78.46442246879579,
"volume_molar": 5.250264408435499,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 5
},
{
"id": "jvasp-18459",
"created_at": "2022-09-04T14:36:49.153618Z",
"updated_at": "2022-09-04T14:36:49.153639Z",
"structure_string": "Hf1 H2\n1.0\n2.944013 0.016037 -1.431159\n-1.795335 2.706187 -0.411106\n0.010640 -0.016037 3.273426\nHf H\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.250000 0.750001 H\n0.500001 0.750001 0.250000 H\n",
"nsites": 3,
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"density_atomic": 0.11470381026431939,
"volume": 26.154318614934468,
"volume_molar": 5.250166272700787,
"formula_full": "Hf1 H2",
"formula_reduced": "HfH2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.978024333333333,
"spacegroup": 139
},
{
"id": "jvasp-34222",
"created_at": "2022-09-04T14:37:09.316208Z",
"updated_at": "2022-09-04T14:37:09.316228Z",
"structure_string": "Li4 C1 O4\n1.0\n4.265154 0.160983 -1.718639\n-0.940437 4.190231 -1.942146\n-0.439972 -0.849647 4.988195\nLi C O\n4 1 4\ndirect\n0.006231 0.885041 0.704847 Li\n0.486061 0.301000 0.759885 Li\n0.751848 0.175562 0.196063 Li\n0.176677 0.759681 0.141097 Li\n0.465742 0.530319 0.450465 C\n0.767304 0.501848 0.683037 O\n0.534785 0.558808 0.217939 O\n0.190529 0.222773 0.247225 O\n0.393736 0.837881 0.653680 O\n",
"nsites": 9,
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"elements": [
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],
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"density": 2.1962003946723128,
"density_atomic": 0.11470541875442009,
"volume": 78.46185557518129,
"volume_molar": 5.250092650717027,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.214240444444445,
"spacegroup": 5
},
{
"id": "jvasp-13095",
"created_at": "2022-09-04T14:36:32.647024Z",
"updated_at": "2022-09-04T14:36:32.647051Z",
"structure_string": "Mg6 H4 O8\n1.0\n1.526590 -2.644130 0.000000\n1.526590 2.644130 -0.000000\n-0.000000 0.000000 19.437726\nMg H O\n6 4 8\ndirect\n0.333333 0.666667 0.752752 Mg\n0.666667 0.333333 0.627383 Mg\n0.333333 0.666667 0.372618 Mg\n0.666667 0.333333 0.247248 Mg\n0.000000 0.000000 0.121885 Mg\n0.000000 0.000000 0.878116 Mg\n0.666667 0.333333 0.477369 H\n0.333333 0.666667 0.522631 H\n0.666667 0.333333 0.017033 H\n0.333333 0.666667 0.982967 H\n0.000000 0.000000 0.690227 O\n0.666667 0.333333 0.067076 O\n0.000000 0.000000 0.309773 O\n0.333333 0.666667 0.572580 O\n0.666667 0.333333 0.427420 O\n0.333333 0.666667 0.932924 O\n0.666667 0.333333 0.815281 O\n0.333333 0.666667 0.184719 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.9402868995228526,
"density_atomic": 0.1147075058393119,
"volume": 156.92085594830485,
"volume_molar": 5.249997126113196,
"formula_full": "Mg6 H4 O8",
"formula_reduced": "Mg3(HO2)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 164
}
]
}