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=-spacegroup&page=3582",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3580",
"results": [
{
"id": "jvasp-50883",
"created_at": "2022-09-04T14:36:57.511752Z",
"updated_at": "2022-09-04T14:36:57.511764Z",
"structure_string": "Tm4 H4 O8\n1.0\n3.446029 0.000000 0.000000\n0.000000 4.972631 0.000000\n0.000000 0.000000 10.766262\nTm H O\n4 4 8\ndirect\n0.250000 0.093692 0.856152 Tm\n0.250000 0.406308 0.356152 Tm\n0.750000 0.593692 0.643848 Tm\n0.750000 0.906308 0.143848 Tm\n0.250000 0.130122 0.597899 H\n0.250000 0.369878 0.097899 H\n0.750000 0.630122 0.902100 H\n0.750000 0.869877 0.402101 H\n0.250000 0.180162 0.065604 O\n0.750000 0.157367 0.309885 O\n0.750000 0.342633 0.809885 O\n0.250000 0.319838 0.565604 O\n0.750000 0.680162 0.434396 O\n0.250000 0.657367 0.190115 O\n0.250000 0.842633 0.690114 O\n0.750000 0.819837 0.934396 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tm",
"H",
"O"
],
"chemical_system": "H-O-Tm",
"density": 7.270484928368997,
"density_atomic": 0.08672611205845548,
"volume": 184.48884217495666,
"volume_molar": 6.943861101418834,
"formula_full": "Tm4 H4 O8",
"formula_reduced": "TmHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4707103124999998,
"spacegroup": 62
},
{
"id": "jvasp-49908",
"created_at": "2022-09-04T14:36:58.328187Z",
"updated_at": "2022-09-04T14:36:58.328220Z",
"structure_string": "Zr4 O8\n1.0\n4.995553 0.000000 0.000000\n0.000000 5.411523 0.000000\n0.000000 0.000000 5.844497\nZr O\n4 8\ndirect\n0.418837 0.457020 0.145089 Zr\n0.918836 0.957020 0.354911 Zr\n0.081163 0.457020 0.645090 Zr\n0.581163 0.957020 0.854911 Zr\n0.225368 0.219947 0.384626 O\n0.725350 0.194101 0.115393 O\n0.225350 0.694101 0.384607 O\n0.725367 0.719946 0.115374 O\n0.274632 0.219947 0.884626 O\n0.774649 0.194101 0.615394 O\n0.274649 0.694101 0.884607 O\n0.774632 0.719946 0.615374 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.180240730195116,
"density_atomic": 0.07595056805729351,
"volume": 157.99750162431658,
"volume_molar": 7.9290266209163605,
"formula_full": "Zr4 O8",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.506523833333334,
"spacegroup": 62
},
{
"id": "jvasp-13084",
"created_at": "2022-09-04T14:36:58.416634Z",
"updated_at": "2022-09-04T14:36:58.416671Z",
"structure_string": "Li4 Mg4 N4\n1.0\n3.484855 0.000000 0.000000\n0.000000 4.997523 0.000000\n0.000000 0.000000 7.174758\nLi Mg N\n4 4 4\ndirect\n0.250000 0.528813 0.094951 Li\n0.750001 0.471187 0.905049 Li\n0.750001 0.028813 0.405049 Li\n0.250000 0.971187 0.594952 Li\n0.250000 0.479924 0.644356 Mg\n0.750001 0.979924 0.855644 Mg\n0.250000 0.020076 0.144356 Mg\n0.750001 0.520075 0.355644 Mg\n0.750001 0.767221 0.118979 N\n0.750001 0.732778 0.618980 N\n0.250000 0.232779 0.881021 N\n0.250000 0.267221 0.381021 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mg",
"N"
],
"chemical_system": "Li-Mg-N",
"density": 2.405508047390951,
"density_atomic": 0.09603609109980543,
"volume": 124.95302404102443,
"volume_molar": 6.270705826355942,
"formula_full": "Li4 Mg4 N4",
"formula_reduced": "LiMgN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1995007666666664,
"spacegroup": 62
},
{
"id": "jvasp-19090",
"created_at": "2022-09-04T14:36:59.615223Z",
"updated_at": "2022-09-04T14:36:59.615246Z",
"structure_string": "Sm12 S12 N4\n1.0\n3.945873 -0.000000 0.000000\n0.000000 12.133083 0.000000\n0.000000 0.000000 12.986447\nSm S N\n12 12 4\ndirect\n0.250000 0.044308 0.853505 Sm\n0.749999 0.924008 0.628751 Sm\n0.250000 0.075992 0.371249 Sm\n0.749999 0.424008 0.871249 Sm\n0.749999 0.281768 0.636184 Sm\n0.250000 0.718232 0.363816 Sm\n0.250000 0.575992 0.128751 Sm\n0.250000 0.218232 0.136184 Sm\n0.749999 0.455692 0.353505 Sm\n0.250000 0.544308 0.646496 Sm\n0.749999 0.955692 0.146496 Sm\n0.749999 0.781768 0.863816 Sm\n0.749999 0.136201 0.005908 S\n0.749999 0.912328 0.395219 S\n0.250000 0.272400 0.806065 S\n0.749999 0.727599 0.193935 S\n0.250000 0.772400 0.693935 S\n0.250000 0.863798 0.994092 S\n0.749999 0.412328 0.104781 S\n0.250000 0.363798 0.505908 S\n0.250000 0.587672 0.895219 S\n0.250000 0.087672 0.604781 S\n0.749999 0.227599 0.306065 S\n0.749999 0.636201 0.494092 S\n0.749999 0.958676 0.798051 N\n0.749999 0.458676 0.701949 N\n0.250000 0.041324 0.201949 N\n0.250000 0.541324 0.298051 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sm",
"S",
"N"
],
"chemical_system": "N-S-Sm",
"density": 5.996327608286157,
"density_atomic": 0.045035336514368335,
"volume": 621.7340019446001,
"volume_molar": 13.37203455353034,
"formula_full": "Sm12 S12 N4",
"formula_reduced": "Sm3S3N",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.2121442678571426,
"spacegroup": 62
},
{
"id": "jvasp-45380",
"created_at": "2022-09-04T14:36:58.697906Z",
"updated_at": "2022-09-04T14:36:58.697931Z",
"structure_string": "Li8 U4 O16\n1.0\n5.116661 -0.000000 0.000000\n-0.000000 6.068029 0.000000\n0.000000 0.000000 10.587449\nLi U O\n8 4 16\ndirect\n0.543006 0.750000 0.926977 Li\n0.043006 0.250000 0.573023 Li\n0.456994 0.250000 0.073023 Li\n0.956993 0.750000 0.426977 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.513134 0.750000 0.237817 U\n0.013134 0.250000 0.262183 U\n0.486866 0.250000 0.762183 U\n0.986865 0.750000 0.737817 U\n0.319911 0.750000 0.397915 O\n0.819911 0.250000 0.102085 O\n0.767412 0.513944 0.335957 O\n0.267412 0.486057 0.164043 O\n0.232588 0.013943 0.664043 O\n0.732587 0.986057 0.835957 O\n0.232588 0.486057 0.664043 O\n0.225823 0.250000 0.414277 O\n0.767412 0.986057 0.335957 O\n0.267412 0.013943 0.164043 O\n0.725823 0.750000 0.085723 O\n0.274177 0.250000 0.914277 O\n0.774177 0.750000 0.585723 O\n0.180089 0.750000 0.897915 O\n0.732587 0.513944 0.835957 O\n0.680089 0.250000 0.602085 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"U",
"O"
],
"chemical_system": "Li-O-U",
"density": 6.383293166952644,
"density_atomic": 0.08517897470984113,
"volume": 328.7196176683379,
"volume_molar": 7.069985029186121,
"formula_full": "Li8 U4 O16",
"formula_reduced": "Li2UO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3496399999999995,
"spacegroup": 62
},
{
"id": "jvasp-19083",
"created_at": "2022-09-04T14:36:58.942724Z",
"updated_at": "2022-09-04T14:36:58.942735Z",
"structure_string": "Ba4 Y8 O16\n1.0\n3.473355 -0.000000 0.000000\n0.000000 10.454846 0.000000\n0.000000 0.000000 12.171336\nBa Y O\n4 8 16\ndirect\n0.250000 0.252933 0.149458 Ba\n0.749999 0.747067 0.850543 Ba\n0.250000 0.752933 0.350543 Ba\n0.749999 0.247067 0.649458 Ba\n0.250000 0.922418 0.609043 Y\n0.749999 0.077582 0.390957 Y\n0.749999 0.577582 0.109043 Y\n0.250000 0.422418 0.890958 Y\n0.250000 0.425857 0.389237 Y\n0.749999 0.074143 0.889238 Y\n0.250000 0.925857 0.110763 Y\n0.749999 0.574143 0.610763 Y\n0.749999 0.481890 0.782725 O\n0.250000 0.429807 0.574366 O\n0.749999 0.570193 0.425634 O\n0.250000 0.018110 0.282725 O\n0.749999 0.981891 0.717276 O\n0.250000 0.518110 0.217276 O\n0.250000 0.615944 0.982452 O\n0.250000 0.209864 0.840636 O\n0.250000 0.115944 0.517549 O\n0.749999 0.884056 0.482452 O\n0.250000 0.709864 0.659365 O\n0.749999 0.290136 0.340636 O\n0.749999 0.070193 0.074366 O\n0.749999 0.790137 0.159365 O\n0.749999 0.384056 0.017549 O\n0.250000 0.929807 0.925634 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Y",
"O"
],
"chemical_system": "Ba-O-Y",
"density": 5.697697540599443,
"density_atomic": 0.06335092584507812,
"volume": 441.9824908079916,
"volume_molar": 9.50600276107547,
"formula_full": "Ba4 Y8 O16",
"formula_reduced": "BaY2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9692401242857136,
"spacegroup": 62
},
{
"id": "jvasp-18605",
"created_at": "2022-09-04T14:36:59.008536Z",
"updated_at": "2022-09-04T14:36:59.008554Z",
"structure_string": "Ga4 Au4\n1.0\n3.677207 -0.000000 0.000000\n-0.000000 6.360310 0.000000\n0.000000 0.000000 6.331458\nGa Au\n4 4\ndirect\n0.750001 0.077326 0.315455 Ga\n0.250000 0.922674 0.684546 Ga\n0.750001 0.422674 0.815455 Ga\n0.250000 0.577326 0.184546 Ga\n0.750001 0.691230 0.492976 Au\n0.250000 0.308770 0.507024 Au\n0.750001 0.808770 0.992976 Au\n0.250000 0.191230 0.007024 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Au"
],
"chemical_system": "Au-Ga",
"density": 11.96230926726743,
"density_atomic": 0.05402439286782301,
"volume": 148.08125691616627,
"volume_molar": 11.14707716333596,
"formula_full": "Ga4 Au4",
"formula_reduced": "GaAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.0411718925,
"spacegroup": 62
},
{
"id": "jvasp-13418",
"created_at": "2022-09-04T14:36:59.201632Z",
"updated_at": "2022-09-04T14:36:59.201648Z",
"structure_string": "K4 Si4 H12\n1.0\n5.322809 0.000000 0.000000\n-0.000000 6.802914 0.000000\n0.000000 0.000000 8.753094\nK Si H\n4 4 12\ndirect\n0.250000 0.346356 0.687110 K\n0.750000 0.653644 0.312889 K\n0.750000 0.846356 0.812889 K\n0.250000 0.153644 0.187111 K\n0.250000 0.846987 0.547229 Si\n0.750000 0.153013 0.452770 Si\n0.750000 0.346987 0.952770 Si\n0.250000 0.653013 0.047229 Si\n0.750000 0.303217 0.126651 H\n0.250000 0.696782 0.873349 H\n0.462436 0.805954 0.080452 H\n0.962436 0.194045 0.919547 H\n0.537564 0.305955 0.419547 H\n0.462436 0.694045 0.580452 H\n0.537564 0.194045 0.919547 H\n0.037564 0.805954 0.080452 H\n0.750000 0.196782 0.626651 H\n0.962436 0.305955 0.419547 H\n0.037564 0.694045 0.580452 H\n0.250000 0.803217 0.373349 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Si",
"H"
],
"chemical_system": "H-K-Si",
"density": 1.4712818721080836,
"density_atomic": 0.06310046213312114,
"volume": 316.9548894555892,
"volume_molar": 9.54373479435899,
"formula_full": "K4 Si4 H12",
"formula_reduced": "KSiH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.07383332,
"spacegroup": 62
},
{
"id": "jvasp-52861",
"created_at": "2022-09-04T14:36:59.349962Z",
"updated_at": "2022-09-04T14:36:59.349975Z",
"structure_string": "H4 Pb4 Cl4 O4\n1.0\n4.039183 0.000000 0.000000\n-0.000000 7.105200 0.000000\n0.000000 0.000000 9.786385\nH Pb Cl O\n4 4 4 4\ndirect\n0.250000 0.720610 0.616838 H\n0.250000 0.220610 0.883163 H\n0.749999 0.279390 0.383163 H\n0.749999 0.779390 0.116838 H\n0.250000 0.294857 0.589448 Pb\n0.250000 0.794857 0.910552 Pb\n0.749999 0.705143 0.410552 Pb\n0.749999 0.205143 0.089448 Pb\n0.250000 0.056418 0.322155 Cl\n0.250000 0.556418 0.177845 Cl\n0.749999 0.943582 0.677845 Cl\n0.749999 0.443582 0.822156 Cl\n0.250000 0.630289 0.541145 O\n0.250000 0.130289 0.958856 O\n0.749999 0.369711 0.458856 O\n0.749999 0.869711 0.041145 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Pb",
"density": 6.140766391734091,
"density_atomic": 0.056967590195837664,
"volume": 280.86145025613246,
"volume_molar": 10.571169921876049,
"formula_full": "H4 Pb4 Cl4 O4",
"formula_reduced": "HPbClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.029007096875,
"spacegroup": 62
},
{
"id": "jvasp-55520",
"created_at": "2022-09-04T14:37:00.051664Z",
"updated_at": "2022-09-04T14:37:00.051680Z",
"structure_string": "Ca4 Pb4 O12\n1.0\n5.712273 0.000000 0.000000\n0.000000 5.971596 0.000000\n0.000000 0.000000 8.253439\nCa Pb O\n4 4 12\ndirect\n0.980947 0.062135 0.250000 Ca\n0.480947 0.437865 0.750000 Ca\n0.519053 0.562136 0.250000 Ca\n0.019053 0.937865 0.750000 Ca\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.632004 0.063670 0.750000 O\n0.132004 0.436330 0.250000 O\n0.688965 0.305680 0.069307 O\n0.188965 0.194320 0.930693 O\n0.811034 0.805681 0.430693 O\n0.188965 0.194320 0.569307 O\n0.311034 0.694320 0.930693 O\n0.811034 0.805681 0.069307 O\n0.367995 0.936330 0.250000 O\n0.688965 0.305680 0.430693 O\n0.311034 0.694320 0.569307 O\n0.867995 0.563671 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"O"
],
"chemical_system": "Ca-O-Pb",
"density": 6.966316673858876,
"density_atomic": 0.07103880977066712,
"volume": 281.5362484896005,
"volume_molar": 8.477254587233558,
"formula_full": "Ca4 Pb4 O12",
"formula_reduced": "CaPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1296833093333332,
"spacegroup": 62
},
{
"id": "jvasp-50074",
"created_at": "2022-09-04T14:36:59.716559Z",
"updated_at": "2022-09-04T14:36:59.716587Z",
"structure_string": "Ho4 Ti4 O12\n1.0\n5.301951 0.000000 0.000000\n0.000000 5.689907 0.000000\n0.000000 0.000000 7.642612\nHo Ti O\n4 4 12\ndirect\n0.977584 0.926714 0.758042 Ho\n0.522416 0.426714 0.758042 Ho\n0.477584 0.573287 0.258042 Ho\n0.022416 0.073286 0.258042 Ho\n0.000001 0.500010 0.508052 Ti\n0.499999 0.000009 0.508052 Ti\n0.500001 0.999991 0.008052 Ti\n-0.000001 0.499991 0.008052 Ti\n0.187871 0.804155 0.067184 O\n0.312148 0.304196 0.448938 O\n0.312129 0.304155 0.067184 O\n0.376565 0.046437 0.758055 O\n0.623435 0.953564 0.258055 O\n0.812129 0.195845 0.567184 O\n0.687871 0.695845 0.567184 O\n0.812148 0.195805 0.948938 O\n0.187852 0.804196 0.448938 O\n0.876565 0.453564 0.258055 O\n0.687852 0.695805 0.948938 O\n0.123435 0.546437 0.758055 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ho",
"Ti",
"O"
],
"chemical_system": "Ho-O-Ti",
"density": 7.513227265349285,
"density_atomic": 0.08674557018740048,
"volume": 230.559323741755,
"volume_molar": 6.942303505516294,
"formula_full": "Ho4 Ti4 O12",
"formula_reduced": "HoTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.95569488,
"spacegroup": 62
},
{
"id": "jvasp-56623",
"created_at": "2022-09-04T14:36:59.869472Z",
"updated_at": "2022-09-04T14:36:59.869503Z",
"structure_string": "Ba4 V4 Cl4 O12\n1.0\n5.312140 -0.000000 0.000000\n-0.000000 7.395497 0.000000\n0.000000 0.000000 10.551770\nBa V Cl O\n4 4 4 12\ndirect\n0.750000 0.596472 0.304387 Ba\n0.250000 0.403529 0.695613 Ba\n0.250000 0.096471 0.195613 Ba\n0.750000 0.903529 0.804387 Ba\n0.250000 0.951322 0.543398 V\n0.250000 0.548678 0.043398 V\n0.750000 0.048678 0.456602 V\n0.750000 0.451322 0.956602 V\n0.250000 0.075350 0.896029 Cl\n0.750000 0.575350 0.603971 Cl\n0.750000 0.924650 0.103971 Cl\n0.250000 0.424650 0.396029 Cl\n0.250000 0.783827 0.646076 O\n0.992030 0.404373 0.093557 O\n0.492030 0.904374 0.406443 O\n0.507970 0.095627 0.593557 O\n0.007970 0.904374 0.406443 O\n0.750000 0.283827 0.853924 O\n0.250000 0.716173 0.146076 O\n0.492030 0.595627 0.906443 O\n0.507970 0.404373 0.093557 O\n0.992030 0.095627 0.593557 O\n0.750000 0.216173 0.353924 O\n0.007970 0.595627 0.906443 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"V",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-O-V",
"density": 4.35379545402769,
"density_atomic": 0.05789606511444767,
"volume": 414.5359438945864,
"volume_molar": 10.401640850886093,
"formula_full": "Ba4 V4 Cl4 O12",
"formula_reduced": "BaVClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.6524841229166665,
"spacegroup": 62
}
]
}