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=created_at&page=4017",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4015",
"results": [
{
"id": "jvasp-11397",
"created_at": "2022-09-04T14:38:35.254123Z",
"updated_at": "2022-09-04T14:38:35.254158Z",
"structure_string": "Sr4 Mg4 Ge4\n1.0\n4.601851 -0.000000 0.000000\n0.000000 7.823501 0.000000\n0.000000 0.000000 8.586106\nSr Mg Ge\n4 4 4\ndirect\n0.250000 0.015747 0.183137 Sr\n0.250000 0.515747 0.316863 Sr\n0.750000 0.484253 0.683137 Sr\n0.750000 0.984253 0.816863 Sr\n0.750000 0.357146 0.063144 Mg\n0.250000 0.642854 0.936856 Mg\n0.750000 0.857146 0.436856 Mg\n0.250000 0.142854 0.563145 Mg\n0.750000 0.221189 0.390249 Ge\n0.250000 0.278811 0.890249 Ge\n0.250000 0.778810 0.609751 Ge\n0.750000 0.721189 0.109751 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg-Sr",
"density": 3.9657788727230465,
"density_atomic": 0.03881962225149771,
"volume": 309.1220188145191,
"volume_molar": 15.51313591097002,
"formula_full": "Sr4 Mg4 Ge4",
"formula_reduced": "SrMgGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-56602",
"created_at": "2022-09-04T14:38:35.254279Z",
"updated_at": "2022-09-04T14:38:35.254297Z",
"structure_string": "Ba1 Li2 Mg2 Si2\n1.0\n4.435566 0.013289 7.977883\n2.078939 3.918220 7.977883\n0.022020 0.013289 9.128001\nBa Li Mg Si\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.429569 0.429570 0.429568 Li\n0.570431 0.570431 0.570430 Li\n0.135777 0.135777 0.135777 Mg\n0.864224 0.864224 0.864221 Mg\n0.242028 0.242028 0.242028 Si\n0.757972 0.757972 0.757970 Si\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Mg",
"Si"
],
"chemical_system": "Ba-Li-Mg-Si",
"density": 2.69974727707333,
"density_atomic": 0.044457911196556794,
"volume": 157.45229165292275,
"volume_molar": 13.545712333121056,
"formula_full": "Ba1 Li2 Mg2 Si2",
"formula_reduced": "BaLi2(MgSi)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.8781101814285712,
"spacegroup": 166
},
{
"id": "jvasp-33907",
"created_at": "2022-09-04T14:38:35.255250Z",
"updated_at": "2022-09-04T14:38:35.255268Z",
"structure_string": "Te7 Mo6 S5\n1.0\n-1.870696 -2.852346 0.000031\n6.398194 -6.236190 -0.089970\n-1.632836 3.110797 14.084627\nTe Mo S\n7 6 5\ndirect\n0.472203 0.164438 0.108849 Te\n0.106459 0.401408 0.614332 Te\n0.520269 0.843640 0.884193 Te\n0.225756 0.928854 0.380342 Te\n0.153502 0.809539 0.116528 Te\n0.431759 0.760927 0.624460 Te\n0.905856 0.578672 0.390352 Te\n0.306212 0.642725 0.255132 Mo\n0.703524 0.345871 0.752923 Mo\n0.628693 0.987163 0.244550 Mo\n0.037729 0.676243 0.751691 Mo\n0.966567 0.315431 0.248567 Mo\n0.360552 0.036738 0.757857 Mo\n0.823892 0.501741 0.149489 S\n0.554486 0.241269 0.350235 S\n0.843434 0.179309 0.866191 S\n0.180821 0.494641 0.856288 S\n0.778307 0.091380 0.648023 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.434864034715756,
"density_atomic": 0.04281517378745602,
"volume": 420.41170005185484,
"volume_molar": 14.065435749239828,
"formula_full": "Te7 Mo6 S5",
"formula_reduced": "Te7Mo6S5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 3.5881688759259256,
"spacegroup": 8
},
{
"id": "jvasp-57678",
"created_at": "2022-09-04T14:38:35.261572Z",
"updated_at": "2022-09-04T14:38:35.261598Z",
"structure_string": "Tb8 Sb6\n1.0\n7.519363 -0.000000 -2.658496\n-3.759681 6.511959 -2.658496\n-0.000000 -0.000000 7.975488\nTb Sb\n8 6\ndirect\n0.355662 0.500000 -0.000000 Tb\n0.644338 0.644339 0.644338 Tb\n0.500000 0.000000 0.355661 Tb\n0.000000 0.355662 0.500000 Tb\n0.500000 0.000000 0.855662 Tb\n0.000000 0.855662 0.500000 Tb\n0.855661 0.500000 -0.000001 Tb\n0.144338 0.144338 0.144338 Tb\n0.750000 0.875000 0.124999 Sb\n0.625000 0.375000 0.250000 Sb\n0.875000 0.125000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.375000 0.250000 0.625000 Sb\n0.250000 0.625000 0.375000 Sb\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tb",
"Sb"
],
"chemical_system": "Sb-Tb",
"density": 8.512460823999746,
"density_atomic": 0.03584908382880968,
"volume": 390.52601921026144,
"volume_molar": 16.798590415190418,
"formula_full": "Tb8 Sb6",
"formula_reduced": "Tb4Sb3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.5730974142857144,
"spacegroup": 220
},
{
"id": "jvasp-21118",
"created_at": "2022-09-04T14:38:35.262275Z",
"updated_at": "2022-09-04T14:38:35.262302Z",
"structure_string": "Ba3 B3 P3 O15\n1.0\n3.581776 -6.203818 -0.000000\n3.581776 6.203818 0.000000\n0.000000 0.000000 7.039395\nBa B P O\n3 3 3 15\ndirect\n0.000000 0.394932 0.333333 Ba\n0.605069 0.605069 0.000000 Ba\n0.394932 0.000000 0.666667 Ba\n0.093533 0.093533 0.000000 B\n0.906468 0.000000 0.666667 B\n0.000000 0.906468 0.333333 B\n0.000000 0.390382 0.833332 P\n0.609619 0.609619 0.500000 P\n0.390382 0.000000 0.166667 P\n0.571211 0.142794 0.300183 O\n0.860281 0.182805 0.703718 O\n0.322526 0.139720 0.037051 O\n0.817196 0.677475 0.370385 O\n0.139720 0.322526 0.962948 O\n0.677475 0.817196 0.629615 O\n0.959942 0.000000 0.166667 O\n0.428790 0.571584 0.366484 O\n0.428417 0.857207 0.033151 O\n0.142794 0.571211 0.699816 O\n0.571584 0.428790 0.633516 O\n0.000000 0.959942 0.833332 O\n0.040059 0.040059 0.500000 O\n0.182805 0.860281 0.296282 O\n0.857207 0.428417 0.966849 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"B",
"P",
"O"
],
"chemical_system": "B-Ba-O-P",
"density": 4.126004049039999,
"density_atomic": 0.07671643977284115,
"volume": 312.8403777738443,
"volume_molar": 7.8498699598569415,
"formula_full": "Ba3 B3 P3 O15",
"formula_reduced": "BaBPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.4501639441666665,
"spacegroup": 154
},
{
"id": "jvasp-59503",
"created_at": "2022-09-04T14:38:35.262320Z",
"updated_at": "2022-09-04T14:38:35.262339Z",
"structure_string": "U4 Ni8\n1.0\n2.470512 -4.279053 0.000000\n2.470512 4.279053 -0.000000\n0.000000 0.000000 8.273222\nU Ni\n4 8\ndirect\n0.333333 0.666666 0.054653 U\n0.666666 0.333333 0.554653 U\n0.666666 0.333333 0.945347 U\n0.333333 0.666666 0.445347 U\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.834514 0.669027 0.250000 Ni\n0.165485 0.834514 0.750000 Ni\n0.669027 0.834514 0.750000 Ni\n0.330972 0.165485 0.250000 Ni\n0.834514 0.165485 0.250000 Ni\n0.165485 0.330972 0.750000 Ni\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Ni"
],
"chemical_system": "Ni-U",
"density": 13.496041408166192,
"density_atomic": 0.06860281535460462,
"volume": 174.91993496145287,
"volume_molar": 8.778270583899285,
"formula_full": "U4 Ni8",
"formula_reduced": "UNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2893902666666666,
"spacegroup": 194
},
{
"id": "jvasp-119543",
"created_at": "2022-09-04T14:38:35.264377Z",
"updated_at": "2022-09-04T14:38:35.264402Z",
"structure_string": "Li6 Mn4 V2 O12\n1.0\n2.838560 0.000004 -0.000001\n-0.000014 13.206079 3.046011\n0.000003 0.012037 5.789197\nLi Mn V O\n6 4 2 12\ndirect\n1.000001 0.666667 0.166667 Li\n0.500000 0.166666 0.166669 Li\n-0.000000 0.002093 0.489331 Li\n0.500000 0.502093 0.489331 Li\n-0.000000 0.331240 0.844006 Li\n0.500000 0.831241 0.844005 Li\n0.500001 0.507512 -0.004865 Mn\n0.500001 0.825822 0.338200 Mn\n0.000000 0.007511 -0.004865 Mn\n0.000000 0.325822 0.338201 Mn\n0.000000 0.666667 0.666667 V\n0.500000 0.166666 0.666669 V\n-0.000000 0.174265 0.899292 O\n-0.000000 0.507091 0.761529 O\n0.499999 0.007090 0.761529 O\n0.000000 0.826243 0.571807 O\n0.500000 0.326242 0.571808 O\n0.000001 0.829566 0.109296 O\n0.500001 0.329566 0.109297 O\n0.000000 0.503768 0.224040 O\n0.500000 0.003767 0.224040 O\n0.000000 0.159068 0.434046 O\n0.500000 0.659068 0.434044 O\n0.500000 0.674265 0.899291 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.250836977716564,
"density_atomic": 0.11064435745309868,
"volume": 216.911196851348,
"volume_molar": 5.442790666078693,
"formula_full": "Li6 Mn4 V2 O12",
"formula_reduced": "Li3Mn2VO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.8066141402298848,
"spacegroup": 12
},
{
"id": "jvasp-56880",
"created_at": "2022-09-04T14:38:35.265611Z",
"updated_at": "2022-09-04T14:38:35.265630Z",
"structure_string": "Ti4 Al8\n1.0\n3.923894 -0.000000 -0.632503\n-0.101955 3.922569 -0.632503\n0.001869 0.001919 12.499306\nTi Al\n4 8\ndirect\n0.547169 0.797169 0.594336 Ti\n0.297168 0.047168 0.094336 Ti\n0.702832 0.952832 0.905665 Ti\n0.452831 0.202832 0.405664 Ti\n0.788348 0.538349 0.076699 Al\n0.625093 0.375093 0.750185 Al\n0.124908 0.874908 0.749816 Al\n0.211652 0.461652 0.923302 Al\n0.038349 0.288349 0.576699 Al\n0.374908 0.624908 0.249816 Al\n0.875092 0.125093 0.250185 Al\n0.961651 0.711652 0.423302 Al\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.5155226865731692,
"density_atomic": 0.06237147133627005,
"volume": 192.39565370044107,
"volume_molar": 9.655280901635592,
"formula_full": "Ti4 Al8",
"formula_reduced": "TiAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9865079777777777,
"spacegroup": 141
},
{
"id": "jvasp-55387",
"created_at": "2022-09-04T14:38:35.266828Z",
"updated_at": "2022-09-04T14:38:35.266852Z",
"structure_string": "Mg4 Mo6 O16\n1.0\n2.897363 -5.018379 0.000000\n2.897363 5.018379 -0.000000\n0.000000 0.000000 9.956130\nMg Mo O\n4 6 16\ndirect\n0.666667 0.333332 0.008177 Mg\n0.333332 0.666667 0.508177 Mg\n0.666667 0.333332 0.442814 Mg\n0.333332 0.666667 0.942814 Mg\n0.146072 0.853927 0.246334 Mo\n0.853926 0.707853 0.746334 Mo\n0.292146 0.146073 0.746334 Mo\n0.853927 0.146072 0.746334 Mo\n0.707853 0.853926 0.246334 Mo\n0.146073 0.292146 0.246334 Mo\n0.487425 0.974850 0.362550 O\n0.974850 0.487425 0.862550 O\n0.333332 0.666667 0.140483 O\n0.000000 0.000000 0.889121 O\n0.000000 0.000000 0.389121 O\n0.512574 0.025149 0.862550 O\n0.025149 0.512574 0.362550 O\n0.167274 0.334548 0.628752 O\n0.167274 0.832725 0.628752 O\n0.334548 0.167274 0.128752 O\n0.832725 0.665451 0.128752 O\n0.487425 0.512574 0.362550 O\n0.665451 0.832725 0.628752 O\n0.832725 0.167274 0.128752 O\n0.512574 0.487425 0.862550 O\n0.666667 0.333332 0.640483 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 5.327309744822325,
"density_atomic": 0.08980208635639164,
"volume": 289.52556733276225,
"volume_molar": 6.706014308064431,
"formula_full": "Mg4 Mo6 O16",
"formula_reduced": "Mg2Mo3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.1699064461538464,
"spacegroup": 186
},
{
"id": "jvasp-10590",
"created_at": "2022-09-04T14:38:35.273298Z",
"updated_at": "2022-09-04T14:38:35.273335Z",
"structure_string": "K4 Pd6 S8\n1.0\n6.004332 0.000000 1.428765\n3.002165 5.362393 0.714383\n0.088351 0.000000 12.959575\nK Pd S\n4 6 8\ndirect\n0.547789 0.750000 0.904424 K\n0.702212 0.750000 0.595577 K\n0.452212 0.250000 0.095577 K\n0.297788 0.250000 0.404424 K\n0.125001 0.750000 0.750000 Pd\n0.625929 0.250000 0.748141 Pd\n0.124071 0.250000 0.751859 Pd\n0.374071 0.750000 0.251859 Pd\n0.875930 0.750000 0.248141 Pd\n0.875000 0.250000 0.250000 Pd\n0.109527 0.916695 0.125963 S\n0.235489 0.416696 0.874038 S\n0.026221 0.083304 0.625963 S\n0.347816 0.416696 0.625963 S\n0.652185 0.583304 0.374038 S\n0.973779 0.916695 0.374038 S\n0.764512 0.583304 0.125963 S\n0.890474 0.083304 0.874038 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Pd",
"S"
],
"chemical_system": "K-Pd-S",
"density": 4.191039863075628,
"density_atomic": 0.04320793521726566,
"volume": 416.59014506222684,
"volume_molar": 13.937580515519718,
"formula_full": "K4 Pd6 S8",
"formula_reduced": "K2Pd3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.3226514555555555,
"spacegroup": 70
},
{
"id": "jvasp-30686",
"created_at": "2022-09-04T14:38:35.276735Z",
"updated_at": "2022-09-04T14:38:35.276760Z",
"structure_string": "Zn4 Sb8 O16\n1.0\n3.114211 -0.000001 -0.000000\n-0.000004 9.935940 -0.000014\n0.000001 0.000031 12.746402\nZn Sb O\n4 8 16\ndirect\n0.749999 0.176080 0.335183 Zn\n0.250000 0.823920 0.664818 Zn\n0.750002 0.676079 0.164817 Zn\n0.250000 0.323921 0.835183 Zn\n0.249999 0.010754 0.857287 Sb\n0.749998 -0.010753 0.142712 Sb\n0.749999 0.489245 0.357288 Sb\n0.249998 0.510754 0.642713 Sb\n0.250001 0.875079 0.411674 Sb\n0.749999 0.124922 0.588326 Sb\n0.250001 0.375078 0.088326 Sb\n0.750001 0.624921 0.911673 Sb\n0.250001 0.577966 0.064144 O\n0.250000 0.116331 0.217777 O\n0.750000 0.883669 0.782224 O\n0.750001 0.922035 0.564146 O\n0.249998 0.077964 0.435854 O\n0.749999 0.422034 0.935856 O\n0.750000 0.412497 0.194949 O\n0.749998 0.165164 0.864174 O\n0.750001 0.912496 0.305051 O\n0.249999 0.087503 0.694949 O\n0.750001 0.665166 0.635826 O\n0.249999 0.334834 0.364174 O\n0.249999 0.616333 0.282223 O\n0.250001 0.834835 0.135826 O\n0.250000 0.587503 0.805051 O\n0.750001 0.383667 0.717777 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Zn",
"density": 6.280407803715331,
"density_atomic": 0.07099265615826958,
"volume": 394.4069924299969,
"volume_molar": 8.482765804077484,
"formula_full": "Zn4 Sb8 O16",
"formula_reduced": "Zn(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6647180857142856,
"spacegroup": 62
},
{
"id": "jvasp-34033",
"created_at": "2022-09-04T14:38:35.277057Z",
"updated_at": "2022-09-04T14:38:35.277092Z",
"structure_string": "Te8 Mo6 S4\n1.0\n1.890531 2.874294 0.000084\n0.001060 -0.000215 -14.279798\n-6.433810 6.290889 0.001173\nTe Mo S\n8 6 4\ndirect\n0.205401 0.889668 0.589116 Te\n0.783045 0.113261 0.433966 Te\n0.871469 0.618700 0.256994 Te\n0.883120 0.876545 0.233681 Te\n0.461904 0.118701 0.076260 Te\n0.550332 0.613255 0.899281 Te\n0.450170 0.376551 0.099724 Te\n0.127882 0.389664 0.744309 Te\n0.437015 0.744389 0.125908 Mo\n0.232883 0.249660 0.534292 Mo\n0.100449 0.749653 0.799041 Mo\n0.896317 0.244393 0.207420 Mo\n0.762405 0.756025 0.475117 Mo\n0.570925 0.256024 0.858223 Mo\n0.121738 0.153044 0.756610 S\n0.544398 0.848712 0.911134 S\n0.788898 0.348720 0.422262 S\n0.211632 0.653040 0.576657 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.600398858920448,
"density_atomic": 0.04148394261363565,
"volume": 433.902827598731,
"volume_molar": 14.516799466453172,
"formula_full": "Te8 Mo6 S4",
"formula_reduced": "Te4Mo3S2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.2885176407407406,
"spacegroup": 36
}
]
}