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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4364",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4362",
"results": [
{
"id": "jvasp-57945",
"created_at": "2022-09-04T14:36:46.479438Z",
"updated_at": "2022-09-04T14:36:46.479462Z",
"structure_string": "Mn4 Zn1 O8\n1.0\n2.930801 0.005218 0.001267\n1.446308 6.928087 -0.039887\n1.450887 0.681080 7.044280\nMn Zn O\n4 1 8\ndirect\n0.634214 0.174081 0.557853 Mn\n0.143401 0.501326 0.209017 Mn\n0.837500 0.486909 0.839830 Mn\n0.347012 0.803639 0.500520 Mn\n0.356263 0.113913 0.175117 Zn\n0.849018 0.675199 0.625801 O\n0.454967 0.341725 0.749284 O\n0.531042 0.641095 0.293552 O\n0.137354 0.305052 0.420191 O\n0.159550 0.019353 0.662054 O\n0.801398 0.315691 0.086554 O\n0.832274 0.980130 0.353397 O\n0.213497 0.617997 0.957477 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 4.796039541103717,
"density_atomic": 0.09087879214679827,
"volume": 143.04767584279563,
"volume_molar": 6.62656337935513,
"formula_full": "Mn4 Zn1 O8",
"formula_reduced": "Mn4ZnO8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.14671979734748,
"spacegroup": 8
},
{
"id": "jvasp-107559",
"created_at": "2022-09-04T14:36:46.678402Z",
"updated_at": "2022-09-04T14:36:46.678412Z",
"structure_string": "Ga1 Ni4 Ge3\n1.0\n6.082921 0.009103 1.100175\n4.867019 3.648853 1.100175\n0.023624 0.007892 4.928632\nGa Ni Ge\n1 4 3\ndirect\n0.427409 0.427408 0.290873 Ga\n0.001520 0.001519 0.999545 Ni\n0.205525 0.205524 0.671664 Ni\n0.792974 0.792971 0.328394 Ni\n0.001315 0.001315 0.500285 Ni\n0.569372 0.569370 0.711476 Ge\n0.185514 0.185513 0.176675 Ge\n0.816376 0.816373 0.821091 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Ni",
"Ge"
],
"chemical_system": "Ga-Ge-Ni",
"density": 7.9534836091534755,
"density_atomic": 0.07334682373144687,
"volume": 109.07084442117517,
"volume_molar": 8.21049972395472,
"formula_full": "Ga1 Ni4 Ge3",
"formula_reduced": "GaNi4Ge3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8526312218749998,
"spacegroup": 8
},
{
"id": "jvasp-18435",
"created_at": "2022-09-04T14:36:46.877325Z",
"updated_at": "2022-09-04T14:36:46.877349Z",
"structure_string": "Cu1 C1 O3\n1.0\n3.038920 -0.393160 -0.042307\n-0.084599 4.319073 1.741489\n-0.543089 0.467358 4.602279\nCu C O\n1 1 3\ndirect\n0.463330 0.434887 0.434887 Cu\n0.110540 0.021804 0.021804 C\n0.385659 0.155040 0.155040 O\n0.977735 0.171108 0.707159 O\n0.977735 0.707160 0.171108 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O",
"density": 3.534072104965454,
"density_atomic": 0.08612640890586411,
"volume": 58.05420269484339,
"volume_molar": 6.992211606758364,
"formula_full": "Cu1 C1 O3",
"formula_reduced": "CuCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.54746619,
"spacegroup": 8
},
{
"id": "jvasp-104678",
"created_at": "2022-09-04T14:36:47.952461Z",
"updated_at": "2022-09-04T14:36:47.952490Z",
"structure_string": "Ti2 V1 Te4\n1.0\n6.520811 -0.029350 3.453101\n5.363255 3.709087 3.453101\n0.028246 0.008746 7.013830\nTi V Te\n2 1 4\ndirect\n0.001362 0.001364 0.997986 Ti\n0.246556 0.246557 0.710701 Ti\n0.752490 0.752491 0.288009 V\n0.111606 0.111607 0.542182 Te\n0.889332 0.889334 0.452661 Te\n0.364984 0.364985 0.965619 Te\n0.633667 0.633668 0.042839 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"V",
"Te"
],
"chemical_system": "Te-Ti-V",
"density": 6.4053183813997565,
"density_atomic": 0.04109361898764217,
"volume": 170.34274839860336,
"volume_molar": 14.654685832880771,
"formula_full": "Ti2 V1 Te4",
"formula_reduced": "Ti2VTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4676317047619047,
"spacegroup": 8
},
{
"id": "jvasp-53615",
"created_at": "2022-09-04T14:36:48.592454Z",
"updated_at": "2022-09-04T14:36:48.592471Z",
"structure_string": "H2 C4 O4\n1.0\n4.857934 -0.050609 -1.354817\n-2.811809 3.961822 -1.354737\n0.026616 0.050931 5.043859\nH C O\n2 4 4\ndirect\n0.480284 0.025299 0.505583 H\n0.974329 0.477680 0.452009 H\n0.338285 0.562071 0.900356 C\n0.440472 0.346364 0.786836 C\n0.560657 0.661770 0.222425 C\n0.653607 0.441523 0.095132 C\n0.148224 0.635579 0.783804 O\n0.637369 0.850504 0.487873 O\n0.359942 0.151911 0.511854 O\n0.846928 0.358193 0.205121 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.9518887122555733,
"density_atomic": 0.10305919653981632,
"volume": 97.03161227476248,
"volume_molar": 5.843380272883634,
"formula_full": "H2 C4 O4",
"formula_reduced": "H(CO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.0229634,
"spacegroup": 8
},
{
"id": "jvasp-107279",
"created_at": "2022-09-04T14:36:48.481636Z",
"updated_at": "2022-09-04T14:36:48.481656Z",
"structure_string": "Ti2 V1 Se4\n1.0\n6.238595 -0.028003 3.101603\n5.247458 3.374172 3.101603\n0.008596 0.002504 6.408990\nTi V Se\n2 1 4\ndirect\n-0.000396 -0.000399 0.999796 Ti\n0.252321 0.252319 0.700562 Ti\n0.747516 0.747516 0.299738 V\n0.111273 0.111271 0.545822 Se\n0.890095 0.890095 0.448614 Se\n0.363830 0.363827 0.971100 Se\n0.635366 0.635366 0.034365 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"V",
"Se"
],
"chemical_system": "Se-Ti-V",
"density": 5.657509998007311,
"density_atomic": 0.05156416401097244,
"volume": 135.75319476740583,
"volume_molar": 11.678926392985906,
"formula_full": "Ti2 V1 Se4",
"formula_reduced": "Ti2VSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7132920476190474,
"spacegroup": 8
},
{
"id": "jvasp-104002",
"created_at": "2022-09-04T14:36:51.255872Z",
"updated_at": "2022-09-04T14:36:51.255887Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.301360 0.113928 0.526829\n1.627895 5.544948 1.589978\n-0.090953 -0.138611 7.186864\nSn H C F\n2 8 4 4\ndirect\n0.577490 0.622511 0.459462 Sn\n0.077490 0.122512 0.959462 Sn\n0.168221 0.462753 0.115120 H\n0.536285 0.327916 0.255191 H\n0.904442 0.205187 0.377837 H\n0.798447 0.585980 0.991927 H\n0.668222 0.962754 0.615120 H\n0.404443 0.705187 0.877836 H\n0.036283 0.827916 0.755190 H\n0.298445 0.085982 0.491926 H\n0.758113 0.364730 0.278771 C\n0.942646 0.429856 0.094220 C\n0.442649 0.929855 0.594219 C\n0.258115 0.864731 0.778771 C\n0.192203 0.856288 0.217849 F\n0.132342 0.542930 0.531197 F\n0.692202 0.356288 0.717849 F\n0.632341 0.042930 0.031197 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.585004992929912,
"density_atomic": 0.1051659870304502,
"volume": 171.15799992242933,
"volume_molar": 5.7263198207385475,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.8711091405555558,
"spacegroup": 8
},
{
"id": "jvasp-104151",
"created_at": "2022-09-04T14:36:49.170686Z",
"updated_at": "2022-09-04T14:36:49.170712Z",
"structure_string": "H12 C6 O2\n1.0\n4.384654 -0.106124 -1.061813\n-1.988179 4.043526 -0.402143\n0.026650 0.138323 8.388412\nH C O\n12 6 2\ndirect\n0.062371 0.217219 0.095272 H\n0.381145 0.464635 0.664199 H\n0.067968 0.489444 0.851111 H\n0.889409 0.734203 0.924614 H\n0.372880 0.217045 0.924643 H\n0.562359 0.216716 0.595237 H\n0.545856 0.966982 0.850825 H\n0.567988 0.490020 0.351141 H\n0.045819 0.967555 0.350882 H\n0.389356 0.734693 0.424651 H\n0.872884 0.217700 0.424669 H\n0.881163 0.465179 0.164208 H\n0.886587 0.092951 0.309911 C\n0.400382 0.606961 0.309980 C\n0.044473 0.345426 0.206582 C\n0.386605 0.092367 0.809871 C\n0.900389 0.606415 0.809946 C\n0.544468 0.344891 0.706558 C\n0.548145 0.847989 0.212874 O\n0.048170 0.847401 0.712826 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3067794987167058,
"density_atomic": 0.13549804777195068,
"volume": 147.6036026265183,
"volume_molar": 4.4444483584999945,
"formula_full": "H12 C6 O2",
"formula_reduced": "H6C3O",
"formula_anonymous": "AB3C6",
"energy_above_hull": 4.280253350000001,
"spacegroup": 8
},
{
"id": "jvasp-107336",
"created_at": "2022-09-04T14:36:50.148365Z",
"updated_at": "2022-09-04T14:36:50.148380Z",
"structure_string": "Ho2 Ga3 Ni1\n1.0\n4.295103 0.002733 3.440717\n2.119141 3.735928 3.440717\n-0.013730 -0.008003 7.026366\nHo Ga Ni\n2 3 1\ndirect\n0.538567 0.538568 0.709744 Ho\n0.453376 0.453376 0.296795 Ho\n0.851864 0.851865 0.680911 Ga\n0.823786 0.823787 0.124877 Ga\n0.163142 0.163143 0.906225 Ga\n0.169263 0.169264 0.281452 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ho-Ni",
"density": 8.788070223131868,
"density_atomic": 0.05312460022697512,
"volume": 112.94202637506861,
"volume_molar": 11.335879675838262,
"formula_full": "Ho2 Ga3 Ni1",
"formula_reduced": "Ho2Ga3Ni",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3536300847222222,
"spacegroup": 8
},
{
"id": "jvasp-104543",
"created_at": "2022-09-04T14:36:51.131209Z",
"updated_at": "2022-09-04T14:36:51.131229Z",
"structure_string": "Li1 Ti1 V2 O6\n1.0\n2.947903 -0.002716 0.021657\n-1.457957 6.058220 -1.305721\n-0.044208 -0.009423 5.808131\nLi Ti V O\n1 1 2 6\ndirect\n0.670035 0.340399 0.836154 Li\n0.351404 0.702768 0.632240 Ti\n0.990224 0.980330 0.036288 V\n0.659553 0.319158 0.334000 V\n0.499951 0.000022 0.795856 O\n0.827252 0.654587 0.415287 O\n0.152438 0.305083 0.097092 O\n0.838701 0.677183 0.869758 O\n0.179249 0.358353 0.568736 O\n0.497242 -0.005785 0.252571 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.047262648340391,
"density_atomic": 0.09645587935694089,
"volume": 103.67434382091305,
"volume_molar": 6.243414916901746,
"formula_full": "Li1 Ti1 V2 O6",
"formula_reduced": "LiTiV2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.0516797733333334,
"spacegroup": 8
},
{
"id": "jvasp-102792",
"created_at": "2022-09-04T14:36:52.154161Z",
"updated_at": "2022-09-04T14:36:52.154188Z",
"structure_string": "Cd2 In1 Cu1 Se4\n1.0\n7.320770 0.009851 3.669840\n6.080558 4.076834 3.669840\n0.006053 0.001846 7.348499\nCd In Cu Se\n2 1 1 4\ndirect\n0.497290 0.497289 0.184729 Cd\n0.996620 0.996618 0.654108 Cd\n0.750905 0.750905 0.596223 In\n0.252119 0.252119 0.066009 Cu\n0.076506 0.076507 0.252138 Se\n0.562077 0.562077 0.773996 Se\n0.806805 0.806805 0.882338 Se\n0.305041 0.305041 0.340460 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"In",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-In-Se",
"density": 5.457374140660304,
"density_atomic": 0.036566216260772604,
"volume": 218.78118159526983,
"volume_molar": 16.469138390072953,
"formula_full": "Cd2 In1 Cu1 Se4",
"formula_reduced": "Cd2InCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0618629233333333,
"spacegroup": 8
},
{
"id": "jvasp-101876",
"created_at": "2022-09-04T14:36:52.187469Z",
"updated_at": "2022-09-04T14:36:52.187496Z",
"structure_string": "Sn1 H6 C4 O4\n1.0\n5.490855 -0.114035 2.909346\n2.310745 5.221184 1.871733\n0.006501 -0.085758 6.008245\nSn H C O\n1 6 4 4\ndirect\n0.469729 0.222698 0.886596 Sn\n0.965582 0.539565 0.949715 H\n0.965692 0.285363 0.202638 H\n0.035347 0.542129 0.207244 H\n-0.013155 0.966942 0.628467 H\n0.935114 0.270830 0.682124 H\n0.935575 0.014635 0.934511 H\n0.056813 0.421727 0.085816 C\n0.885246 0.103876 0.768068 C\n0.478623 0.027218 0.472576 C\n0.478727 0.808573 0.691137 C\n0.478591 -0.005847 0.277214 O\n0.475900 0.848734 0.890007 O\n0.475560 0.226192 0.512813 O\n0.478609 0.613228 0.658105 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.259362631710727,
"density_atomic": 0.08618863442080044,
"volume": 174.0368680952202,
"volume_molar": 6.987163447326461,
"formula_full": "Sn1 H6 C4 O4",
"formula_reduced": "SnH6(CO)4",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.071171046666666,
"spacegroup": 8
}
]
}