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=438",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=436",
"results": [
{
"id": "jvasp-44646",
"created_at": "2022-09-04T14:38:09.049029Z",
"updated_at": "2022-09-04T14:38:09.049060Z",
"structure_string": "K4 Cr2 P2 C2 O14\n1.0\n0.000000 5.500074 -0.035356\n6.612280 0.000000 0.000000\n0.000000 0.000968 -9.625883\nK Cr P C O\n4 2 2 2 14\ndirect\n0.244153 0.473264 0.244786 K\n0.244153 0.026736 0.244786 K\n0.755847 0.526736 0.755214 K\n0.755847 0.973264 0.755214 K\n0.773267 0.750000 0.356296 Cr\n0.226732 0.250000 0.643704 Cr\n0.722499 0.250000 0.432269 P\n0.277500 0.750000 0.567731 P\n0.725952 0.750000 0.103892 C\n0.274047 0.250000 0.896109 C\n0.454471 0.250000 0.804237 O\n0.229508 0.940816 0.658075 O\n0.229508 0.559184 0.658075 O\n0.892192 0.250000 0.560117 O\n0.550333 0.750000 0.520957 O\n0.449667 0.250000 0.479044 O\n0.936999 0.750000 0.167735 O\n0.770492 0.440816 0.341925 O\n0.770492 0.059184 0.341925 O\n0.545529 0.750000 0.195763 O\n0.063001 0.250000 0.832265 O\n0.302477 0.250000 0.023883 O\n0.107808 0.750000 0.439883 O\n0.697523 0.750000 0.976117 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"Cr",
"P",
"C",
"O"
],
"chemical_system": "C-Cr-K-O-P",
"density": 2.7053743828713466,
"density_atomic": 0.06855690062697992,
"volume": 350.0741687636186,
"volume_molar": 8.78414966972711,
"formula_full": "K4 Cr2 P2 C2 O14",
"formula_reduced": "K2CrPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.757054449999999,
"spacegroup": 11
},
{
"id": "jvasp-45788",
"created_at": "2022-09-04T14:38:04.615925Z",
"updated_at": "2022-09-04T14:38:04.615948Z",
"structure_string": "Li1 V1 P2 O8\n1.0\n4.010601 2.580875 -0.366924\n0.000000 5.161751 0.000000\n-0.646220 0.000000 7.406714\nLi V P O\n1 1 2 8\ndirect\n0.568830 0.965585 0.412695 Li\n0.480744 0.009628 0.997247 V\n0.124378 0.687812 0.789985 P\n0.855669 0.322166 0.223815 P\n0.094436 0.202781 0.401475 O\n0.064793 0.217602 0.060521 O\n0.367152 0.327268 0.828287 O\n0.367152 0.805581 0.828287 O\n0.624214 0.193004 0.194266 O\n0.624214 0.682782 0.194266 O\n0.915884 0.792059 0.948242 O\n0.920888 0.789557 0.604290 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.705472022994968,
"density_atomic": 0.0788914046151238,
"volume": 152.1078254157431,
"volume_molar": 7.633456127925921,
"formula_full": "Li1 V1 P2 O8",
"formula_reduced": "LiV(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.888666933333333,
"spacegroup": 8
},
{
"id": "jvasp-71404",
"created_at": "2022-09-04T14:35:56.114472Z",
"updated_at": "2022-09-04T14:35:56.114493Z",
"structure_string": "Ca1 Ti1 Be2\n1.0\n3.177162 0.000000 0.000000\n0.000000 3.177162 -0.000000\n0.000000 0.000000 6.442434\nCa Ti Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.680543 Be\n0.000000 0.000000 0.319456 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"Be"
],
"chemical_system": "Be-Ca-Ti",
"density": 2.7058313735316757,
"density_atomic": 0.06150795586491605,
"volume": 65.03223759841428,
"volume_molar": 9.79083221888538,
"formula_full": "Ca1 Ti1 Be2",
"formula_reduced": "CaTiBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7963302383333335,
"spacegroup": 123
},
{
"id": "jvasp-71345",
"created_at": "2022-09-04T14:36:14.273021Z",
"updated_at": "2022-09-04T14:36:14.273048Z",
"structure_string": "Ca1 Ti1 Be2\n1.0\n3.177109 0.000000 0.000000\n0.000000 3.177109 0.000000\n0.000000 -0.000000 6.442437\nCa Ti Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.680533 Be\n0.000000 0.000000 0.319467 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"Be"
],
"chemical_system": "Be-Ca-Ti",
"density": 2.7059203906901774,
"density_atomic": 0.06150997936996885,
"volume": 65.03009822098768,
"volume_molar": 9.790510128085334,
"formula_full": "Ca1 Ti1 Be2",
"formula_reduced": "CaTiBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7963327383333336,
"spacegroup": 123
},
{
"id": "jvasp-21270",
"created_at": "2022-09-04T14:37:29.864224Z",
"updated_at": "2022-09-04T14:37:29.864256Z",
"structure_string": "Al4 Si4 P12\n1.0\n5.922357 -0.000000 0.000000\n0.000000 6.151006 0.000000\n0.000000 0.000000 9.971882\nAl Si P\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000126 0.561936 0.750000 Si\n-0.000126 0.438065 0.250000 Si\n0.499874 0.061935 0.250000 Si\n0.500126 0.938065 0.750000 Si\n0.111450 0.085597 0.250000 P\n0.888550 0.914404 0.750000 P\n0.610939 0.892304 0.441307 P\n0.110938 0.607697 0.058693 P\n0.889062 0.392303 0.558693 P\n0.110938 0.607697 0.441307 P\n0.389062 0.107697 0.558693 P\n0.610939 0.892304 0.058693 P\n0.611451 0.414404 0.250000 P\n0.388550 0.585597 0.750000 P\n0.389062 0.107697 0.941307 P\n0.889062 0.392303 0.941307 P\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Si",
"P"
],
"chemical_system": "Al-P-Si",
"density": 2.705943209957458,
"density_atomic": 0.05505694773086663,
"volume": 363.26023915756195,
"volume_molar": 10.93802146359051,
"formula_full": "Al4 Si4 P12",
"formula_reduced": "AlSiP3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.85450558,
"spacegroup": 62
},
{
"id": "jvasp-110715",
"created_at": "2022-09-04T14:38:37.106504Z",
"updated_at": "2022-09-04T14:38:37.106520Z",
"structure_string": "Rb3 Al1 Cl6\n1.0\n6.539345 -0.000000 3.775493\n2.179782 6.165354 3.775493\n-0.000000 -0.000000 7.550986\nRb Al Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.781723 0.218277 0.218277 Cl\n0.218277 0.218277 0.781723 Cl\n0.218277 0.781722 0.781723 Cl\n0.218277 0.781722 0.218277 Cl\n0.781723 0.218277 0.781723 Cl\n0.781723 0.781722 0.218277 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-Rb",
"density": 2.7059823767185414,
"density_atomic": 0.03284763202229072,
"volume": 304.4359481747087,
"volume_molar": 18.33356132312161,
"formula_full": "Rb3 Al1 Cl6",
"formula_reduced": "Rb3AlCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-42732",
"created_at": "2022-09-04T14:37:30.010166Z",
"updated_at": "2022-09-04T14:37:30.010186Z",
"structure_string": "Li2 V2 O2 F8\n1.0\n0.000000 4.078577 -0.000970\n9.511135 0.000000 0.000000\n0.000000 -2.040056 -4.740477\nLi V O F\n2 2 2 8\ndirect\n0.745111 0.508791 0.988215 Li\n0.254889 0.008792 0.011785 Li\n0.848914 0.258738 0.499266 V\n0.151086 0.758738 0.500734 V\n0.757007 0.758719 0.500813 O\n0.242993 0.258720 0.499187 O\n0.627737 0.123161 0.236961 F\n0.624130 0.390054 0.226326 F\n0.896923 0.127423 0.772188 F\n0.890087 0.394347 0.761525 F\n0.109913 0.894346 0.238475 F\n0.103077 0.627423 0.227813 F\n0.375871 0.890054 0.773675 F\n0.372263 0.623161 0.763039 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.7064641092584987,
"density_atomic": 0.07612381282496354,
"volume": 183.91091408139414,
"volume_molar": 7.910981513560156,
"formula_full": "Li2 V2 O2 F8",
"formula_reduced": "LiVOF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7055298328571434,
"spacegroup": 20
},
{
"id": "jvasp-10496",
"created_at": "2022-09-04T14:36:41.321460Z",
"updated_at": "2022-09-04T14:36:41.321483Z",
"structure_string": "Na4 Al4 O8\n1.0\n5.251874 0.000000 0.000000\n0.000000 5.437665 0.000000\n0.000000 0.000000 7.043907\nNa Al O\n4 4 8\ndirect\n0.484803 0.431961 0.122738 Na\n0.984802 0.068039 0.622738 Na\n0.984802 0.568040 0.877263 Na\n0.484803 0.931962 0.377262 Na\n0.000238 0.562703 0.374191 Al\n0.500238 0.437297 0.625810 Al\n0.500238 0.937298 0.874191 Al\n0.000238 0.062703 0.125809 Al\n0.927481 0.877760 0.327895 O\n0.427481 0.122241 0.672106 O\n0.427481 0.622242 0.827895 O\n0.927481 0.377759 0.172106 O\n0.331877 0.534144 0.420844 O\n0.331877 0.034144 0.079156 O\n0.831876 0.965857 0.920844 O\n0.831876 0.465856 0.579156 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Al",
"O"
],
"chemical_system": "Al-Na-O",
"density": 2.706600984898306,
"density_atomic": 0.07953890772820099,
"volume": 201.15941313495188,
"volume_molar": 7.571314381860457,
"formula_full": "Na4 Al4 O8",
"formula_reduced": "NaAlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7413647000000001,
"spacegroup": 33
},
{
"id": "jvasp-93823",
"created_at": "2022-09-04T14:36:03.094311Z",
"updated_at": "2022-09-04T14:36:03.094332Z",
"structure_string": "Mg1 Ti1 H4\n1.0\n-2.241186 -2.241186 -0.000000\n-2.241186 2.241186 0.000000\n-0.000000 -0.000000 -4.653823\nMg Ti H\n1 1 4\ndirect\n0.500001 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500001 0.000000 0.237115 H\n0.000000 0.500001 0.237115 H\n0.500001 0.000000 0.762885 H\n0.000000 0.500001 0.762885 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"H"
],
"chemical_system": "H-Mg-Ti",
"density": 2.7066359066076515,
"density_atomic": 0.12833809582068653,
"volume": 46.75151179103651,
"volume_molar": 4.692403079140361,
"formula_full": "Mg1 Ti1 H4",
"formula_reduced": "MgTiH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.398239563888889,
"spacegroup": 123
},
{
"id": "jvasp-38903",
"created_at": "2022-09-04T14:38:14.516213Z",
"updated_at": "2022-09-04T14:38:14.516228Z",
"structure_string": "Rb3 Sm1\n1.0\n6.295408 0.000000 -0.000000\n0.000000 6.295408 -0.000000\n0.000000 0.000000 6.295408\nRb Sm\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Sm"
],
"chemical_system": "Rb-Sm",
"density": 2.7071936422662963,
"density_atomic": 0.01603202371102093,
"volume": 249.50062899734058,
"volume_molar": 37.56319768826307,
"formula_full": "Rb3 Sm1",
"formula_reduced": "Rb3Sm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-101955",
"created_at": "2022-09-04T14:36:48.896460Z",
"updated_at": "2022-09-04T14:36:48.896481Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.591659 -0.032549 0.377704\n0.023593 4.216852 0.204187\n-0.125085 0.030368 10.377131\nCd H C O\n1 8 6 4\ndirect\n0.639252 0.717956 0.204048 Cd\n0.357538 0.513872 0.505744 H\n0.885219 0.550366 0.549809 H\n0.357847 0.970363 0.613406 H\n0.398099 0.463909 0.748716 H\n0.505331 0.983774 0.880280 H\n0.059459 0.842633 0.868961 H\n0.872869 0.982216 0.648662 H\n0.915716 0.436026 0.786194 H\n0.073517 0.165439 0.011036 C\n0.216963 0.062604 0.877449 C\n0.165556 0.294103 0.762676 C\n0.000006 0.263764 0.394684 C\n0.101084 0.373915 0.523688 C\n0.124228 0.130577 0.636254 C\n0.158931 0.978496 0.107847 O\n0.783855 0.031998 0.388802 O\n0.116012 0.446410 0.293802 O\n0.850140 0.393413 0.023458 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.707219490221706,
"density_atomic": 0.12074776781522699,
"volume": 157.3528053046459,
"volume_molar": 4.987372329081328,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.254431776315789,
"spacegroup": 1
},
{
"id": "jvasp-47370",
"created_at": "2022-09-04T14:38:02.005089Z",
"updated_at": "2022-09-04T14:38:02.005116Z",
"structure_string": "Li8 Mn1 O5 F1\n1.0\n5.261840 0.009645 -0.006318\n-2.137986 4.819287 0.009325\n-2.484537 -1.189485 5.063509\nLi Mn O F\n8 1 5 1\ndirect\n0.243442 0.470970 0.359016 Li\n0.122575 0.229395 0.653989 Li\n0.406001 0.886085 0.643481 Li\n0.710059 0.359517 0.008161 Li\n0.318639 0.674875 0.975808 Li\n0.578462 0.097769 0.347622 Li\n0.901859 0.795154 0.369414 Li\n0.757486 0.520037 0.653313 Li\n0.955631 0.966269 0.977690 Mn\n0.491964 0.577607 0.759280 O\n0.870227 0.108804 0.236722 O\n0.167683 0.777052 0.232434 O\n0.813148 0.204505 0.752879 O\n0.114778 0.885947 0.753918 O\n0.548041 0.446022 0.276277 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.707332876557199,
"density_atomic": 0.11675613683958179,
"volume": 128.47290434599932,
"volume_molar": 5.157879425450823,
"formula_full": "Li8 Mn1 O5 F1",
"formula_reduced": "Li8MnO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.652838334925287,
"spacegroup": 1
}
]
}