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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4439",
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"results": [
{
"id": "jvasp-47526",
"created_at": "2022-09-04T14:37:03.721229Z",
"updated_at": "2022-09-04T14:37:03.721248Z",
"structure_string": "Li2 Mn2 P2 O8\n1.0\n4.938260 -0.007685 0.001638\n-2.462153 4.899450 -0.024315\n-0.004103 -1.684531 6.371581\nLi Mn P O\n2 2 2 8\ndirect\n0.062594 0.001213 0.498648 Li\n0.031627 0.001347 -0.001438 Li\n0.355588 0.710903 0.273477 Mn\n0.646082 0.291888 0.723436 Mn\n0.316984 0.650596 0.769878 P\n0.667697 0.352154 0.227031 P\n0.748688 0.668983 0.327089 O\n0.305344 0.835275 0.623329 O\n0.211494 0.732745 0.983474 O\n0.647053 0.690539 0.792443 O\n0.957834 0.312253 0.204434 O\n0.480061 0.270024 0.013444 O\n0.471361 0.167471 0.373593 O\n0.081104 0.333769 0.669817 O\n",
"nsites": 14,
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"elements": [
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"P",
"O"
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"chemical_system": "Li-Mn-O-P",
"density": 3.386003526491867,
"density_atomic": 0.09100195003131852,
"volume": 153.84285716055393,
"volume_molar": 6.617595291010212,
"formula_full": "Li2 Mn2 P2 O8",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5517166773399014,
"spacegroup": 5
},
{
"id": "jvasp-58507",
"created_at": "2022-09-04T14:37:04.629088Z",
"updated_at": "2022-09-04T14:37:04.629114Z",
"structure_string": "Ca4 Cu2 Ir2 O12\n1.0\n6.440294 -0.035624 -0.140366\n-0.143764 6.412876 -0.161935\n-0.035744 0.021590 6.416395\nCa Cu Ir O\n4 2 2 12\ndirect\n0.750000 0.602044 0.397956 Ca\n0.250000 0.397597 0.602402 Ca\n0.627676 0.737254 0.890096 Ca\n0.872324 0.109903 0.262745 Ca\n0.250001 0.852315 0.147685 Cu\n0.750000 0.184783 0.815216 Cu\n0.014505 0.497843 0.001660 Ir\n0.485495 -0.001660 0.502156 Ir\n0.054714 0.428498 0.293439 O\n0.445287 0.706561 0.571501 O\n0.720000 0.391428 0.034605 O\n0.780000 0.965395 0.608571 O\n0.292882 0.612690 0.966590 O\n0.951810 0.790594 0.110097 O\n0.040133 0.210577 0.899457 O\n0.459868 0.100543 0.789422 O\n0.573516 0.279569 0.438902 O\n0.548191 0.889903 0.209405 O\n0.207119 0.033409 0.387310 O\n0.926485 0.561098 0.720430 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Ir",
"O"
],
"chemical_system": "Ca-Cu-Ir-O",
"density": 5.413740903413743,
"density_atomic": 0.07548309175776965,
"volume": 264.9600001041472,
"volume_molar": 7.9781320819839445,
"formula_full": "Ca4 Cu2 Ir2 O12",
"formula_reduced": "Ca2CuIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.962949339,
"spacegroup": 5
},
{
"id": "jvasp-103667",
"created_at": "2022-09-04T14:37:05.186762Z",
"updated_at": "2022-09-04T14:37:05.186784Z",
"structure_string": "Zr3 Sn4 Sb2\n1.0\n5.604049 -0.008015 0.022282\n-2.805161 4.851443 0.022282\n-0.002435 -0.004213 7.678034\nZr Sn Sb\n3 4 2\ndirect\n0.504841 0.010070 0.162651 Zr\n0.989930 0.495158 0.837348 Zr\n0.505620 0.494380 0.499999 Zr\n0.835515 0.164484 0.499999 Sn\n0.169814 0.343024 0.169701 Sn\n0.656977 0.830186 0.830298 Sn\n0.174853 0.825147 0.499999 Sn\n0.834523 0.672070 0.167326 Sb\n0.327929 0.165477 0.832673 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Sn",
"Sb"
],
"chemical_system": "Sb-Sn-Zr",
"density": 7.897852055290283,
"density_atomic": 0.04314959508921569,
"volume": 208.57669652268316,
"volume_molar": 13.956424730171118,
"formula_full": "Zr3 Sn4 Sb2",
"formula_reduced": "Zr3(Sn2Sb)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.2931547222222224,
"spacegroup": 5
},
{
"id": "jvasp-52598",
"created_at": "2022-09-04T14:37:05.981805Z",
"updated_at": "2022-09-04T14:37:05.981823Z",
"structure_string": "Be3 F6\n1.0\n4.601193 -1.010684 0.484948\n-3.175875 3.479407 -0.484948\n0.921013 -0.531747 7.034562\nBe F\n3 6\ndirect\n0.005131 0.605294 0.942798 Be\n0.549187 0.549188 0.666667 Be\n0.605294 0.005132 0.390535 Be\n0.142315 0.469406 0.283242 F\n0.194765 0.441475 0.843969 F\n0.686230 0.906198 0.553122 F\n0.441475 0.194766 0.489364 F\n0.906197 0.686230 0.780211 F\n0.469406 0.142315 0.050091 F\n",
"nsites": 9,
"nelements": 2,
"elements": [
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"F"
],
"chemical_system": "Be-F",
"density": 2.644033735216733,
"density_atomic": 0.10161509878289338,
"volume": 88.56951484374412,
"volume_molar": 5.926423171488183,
"formula_full": "Be3 F6",
"formula_reduced": "BeF2",
"formula_anonymous": "AB2",
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"spacegroup": 5
},
{
"id": "jvasp-42985",
"created_at": "2022-09-04T14:37:06.369233Z",
"updated_at": "2022-09-04T14:37:06.369259Z",
"structure_string": "Li5 Nb2 V5 O12\n1.0\n5.063938 0.228894 -0.130710\n2.416417 4.456097 0.130710\n-0.650208 1.038165 9.944854\nLi Nb V O\n5 2 5 12\ndirect\n0.163289 0.678581 0.505018 Li\n0.315802 0.825928 0.991523 Li\n0.678582 0.163287 0.994982 Li\n0.825929 0.315801 0.508476 Li\n0.925266 0.925264 0.750000 Li\n0.251272 0.251271 0.750000 Nb\n0.730501 0.730499 0.250000 Nb\n0.584571 0.584570 0.750000 V\n0.442314 0.442313 0.250000 V\n0.082576 0.082576 0.250000 V\n0.997539 0.502214 0.985418 V\n0.502216 0.997538 0.514581 V\n0.781391 0.045214 0.375012 O\n0.958428 0.199450 0.875527 O\n0.199452 0.958427 0.624473 O\n0.146051 0.363879 0.373777 O\n0.363879 0.146051 0.126222 O\n0.292636 0.551046 0.872791 O\n0.551047 0.292635 0.627209 O\n0.449104 0.707108 0.391754 O\n0.707109 0.449103 0.108246 O\n0.629357 0.876485 0.872592 O\n0.876487 0.629355 0.627407 O\n0.045215 0.781391 0.124988 O\n",
"nsites": 24,
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"elements": [
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"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 5.094082491208932,
"density_atomic": 0.1103469476796107,
"volume": 217.4958211774315,
"volume_molar": 5.457460207676173,
"formula_full": "Li5 Nb2 V5 O12",
"formula_reduced": "Li5Nb2V5O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 3.3665034083333336,
"spacegroup": 5
},
{
"id": "jvasp-29372",
"created_at": "2022-09-04T14:37:06.633367Z",
"updated_at": "2022-09-04T14:37:06.633392Z",
"structure_string": "Nb2 I4 O2\n1.0\n3.806913 -0.000123 -0.983843\n-0.507361 7.303628 -1.962362\n0.024215 0.012378 7.951207\nNb I O\n2 4 2\ndirect\n0.021378 0.291860 0.001135 Nb\n0.020265 0.708140 0.998865 Nb\n0.847855 0.413749 0.689644 I\n0.872649 0.932076 0.743782 I\n0.128903 0.067925 0.256220 I\n0.158240 0.586252 0.310357 I\n0.507308 0.286916 0.001914 O\n0.505404 0.713085 0.998088 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"I",
"O"
],
"chemical_system": "I-Nb-O",
"density": 5.442084813243519,
"density_atomic": 0.036141903239588886,
"volume": 221.34971550798164,
"volume_molar": 16.662489299687753,
"formula_full": "Nb2 I4 O2",
"formula_reduced": "NbI2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4790538624999998,
"spacegroup": 5
},
{
"id": "jvasp-51818",
"created_at": "2022-09-04T14:37:06.634352Z",
"updated_at": "2022-09-04T14:37:06.634381Z",
"structure_string": "Ba1 Co2 P2 H2 O9\n1.0\n4.617640 2.449512 -0.145601\n-4.617640 2.449512 0.145601\n-0.006953 0.000000 8.331377\nBa Co P H O\n1 2 2 2 9\ndirect\n0.229399 0.229399 0.500000 Ba\n0.503269 0.835234 0.854759 Co\n0.835235 0.503268 0.145241 Co\n0.890813 0.581964 0.761408 P\n0.581964 0.890813 0.238593 P\n0.215185 0.337081 0.066893 H\n0.337082 0.215185 0.933107 H\n0.392562 0.392562 -0.000000 O\n0.679541 0.046757 0.066788 O\n0.046757 0.679541 0.933213 O\n0.781023 0.795930 0.710139 O\n0.795930 0.781022 0.289861 O\n0.153243 0.643052 0.652279 O\n0.643053 0.153243 0.347722 O\n0.605445 0.246696 0.754754 O\n0.246696 0.605445 0.245246 O\n",
"nsites": 16,
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"elements": [
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"Co",
"P",
"H",
"O"
],
"chemical_system": "Ba-Co-H-O-P",
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"density_atomic": 0.08489556160500611,
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"volume_molar": 7.09358728082775,
"formula_full": "Ba1 Co2 P2 H2 O9",
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"formula_anonymous": "AB2C2D2E9",
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"spacegroup": 5
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{
"id": "jvasp-51410",
"created_at": "2022-09-04T14:37:07.720295Z",
"updated_at": "2022-09-04T14:37:07.720306Z",
"structure_string": "Sc1 F3\n1.0\n2.804302 2.320879 2.332507\n-1.245307 2.931223 2.935048\n-1.407235 -3.406259 1.074482\nSc F\n1 3\ndirect\n-0.011550 0.000000 -0.023101 Sc\n0.395973 0.159858 0.448350 F\n0.052377 0.840141 0.448350 F\n0.563200 0.500001 0.126402 F\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "F-Sc",
"density": 3.392427365896292,
"density_atomic": 0.08015478320177129,
"volume": 49.90344730807789,
"volume_molar": 7.513139602462203,
"formula_full": "Sc1 F3",
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"formula_anonymous": "AB3",
"energy_above_hull": 0.096575,
"spacegroup": 5
},
{
"id": "jvasp-10688",
"created_at": "2022-09-04T14:37:07.355371Z",
"updated_at": "2022-09-04T14:37:07.355393Z",
"structure_string": "K1 V1 P2 S7\n1.0\n6.249819 0.016273 -0.613490\n-0.698965 6.388515 -0.715152\n0.022569 0.013609 6.466252\nK V P S\n1 1 2 7\ndirect\n0.500000 0.112943 0.887057 K\n-0.000000 0.500160 0.499840 V\n0.084049 0.051329 0.347902 P\n0.915950 0.652097 0.948670 P\n-0.000001 0.987713 0.012287 S\n0.764803 0.541301 0.184108 S\n0.291815 0.315082 0.369084 S\n0.708184 0.630915 0.684918 S\n0.819481 0.143176 0.477010 S\n0.180519 0.522989 0.856824 S\n0.235196 0.815891 0.458699 S\n",
"nsites": 11,
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"elements": [
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],
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"density": 2.419042627808138,
"density_atomic": 0.04256853099108151,
"volume": 258.4068499405018,
"volume_molar": 14.146931124453632,
"formula_full": "K1 V1 P2 S7",
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"formula_anonymous": "ABC2D7",
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{
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"created_at": "2022-09-04T14:37:11.761669Z",
"updated_at": "2022-09-04T14:37:11.761686Z",
"structure_string": "K1 In1 P2 S7\n1.0\n6.226366 0.031378 -0.611896\n-0.736457 6.593885 -0.875989\n0.040572 -0.004187 6.692338\nK In P S\n1 1 2 7\ndirect\n0.500000 0.092167 0.907832 K\n-0.000000 0.500581 0.499420 In\n0.090253 0.036504 0.362252 P\n0.909747 0.637748 0.963496 P\n-0.000000 0.962500 0.037501 S\n0.738526 0.530124 0.178350 S\n0.303719 0.287786 0.368850 S\n0.696281 0.631150 0.712214 S\n0.823742 0.110425 0.492134 S\n0.176258 0.507866 0.889575 S\n0.261474 0.821650 0.469876 S\n",
"nsites": 11,
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],
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"density": 2.6582777951254384,
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"volume": 275.0527466889018,
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{
"id": "jvasp-33894",
"created_at": "2022-09-04T14:37:11.701359Z",
"updated_at": "2022-09-04T14:37:11.701384Z",
"structure_string": "Ag2 N2 O4\n1.0\n-3.810464 2.071006 -0.936099\n-0.328008 -4.338226 -0.870169\n0.052030 0.175072 6.728053\nAg N O\n2 2 4\ndirect\n0.752161 0.442981 0.715133 Ag\n0.727847 0.037027 0.284866 Ag\n0.378151 0.001962 0.749506 N\n0.252455 0.628645 0.250493 N\n0.968560 0.597181 0.147446 O\n0.254745 0.407618 0.344534 O\n0.063084 0.910212 0.655466 O\n0.449735 0.821114 0.852553 O\n",
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],
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"volume": 114.95772864710109,
"volume_molar": 8.653645292034088,
"formula_full": "Ag2 N2 O4",
"formula_reduced": "AgNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3816993775,
"spacegroup": 5
},
{
"id": "jvasp-8254",
"created_at": "2022-09-04T14:37:07.746504Z",
"updated_at": "2022-09-04T14:37:07.746532Z",
"structure_string": "V2 O4\n1.0\n2.890198 -0.000852 0.385257\n-1.415376 -2.504724 -0.412416\n-1.590738 -0.803053 -9.462226\nV O\n2 4\ndirect\n-0.022779 -0.004313 0.497952 V\n-0.017519 -0.001757 0.997899 V\n0.411092 0.592980 0.606554 O\n0.273603 0.734537 0.889161 O\n0.604417 0.401290 0.389310 O\n0.749615 0.263928 0.106668 O\n",
"nsites": 6,
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],
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"volume": 66.45498769990657,
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"formula_full": "V2 O4",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
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"spacegroup": 5
}
]
}