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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4143",
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"results": [
{
"id": "jvasp-112273",
"created_at": "2022-09-04T14:38:26.536223Z",
"updated_at": "2022-09-04T14:38:26.536245Z",
"structure_string": "B2 H2 Pb4 O8\n1.0\n6.451281 0.021736 2.871472\n3.917867 5.125409 2.871472\n0.018578 0.009222 7.385748\nB H Pb O\n2 2 4 8\ndirect\n0.329002 0.329002 0.655519 B\n0.670998 0.670999 0.344480 B\n0.460182 0.460182 0.377458 H\n0.539818 0.539818 0.622541 H\n0.052736 0.052735 0.731536 Pb\n0.947264 0.947265 0.268463 Pb\n0.658865 0.658865 0.920624 Pb\n0.341136 0.341136 0.079376 Pb\n0.408136 0.408136 0.732307 O\n0.591864 0.591864 0.267692 O\n0.371012 0.371012 0.442980 O\n0.628989 0.628989 0.557019 O\n0.213097 0.213096 0.781691 O\n0.786904 0.786904 0.218309 O\n0.744810 0.255190 -0.000000 O\n0.255190 0.744811 -0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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],
"chemical_system": "B-H-O-Pb",
"density": 6.693041071798978,
"density_atomic": 0.06577735701984068,
"volume": 243.244799196992,
"volume_molar": 9.15534012438888,
"formula_full": "B2 H2 Pb4 O8",
"formula_reduced": "BH(PbO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2941272779166666,
"spacegroup": 12
},
{
"id": "jvasp-112266",
"created_at": "2022-09-04T14:38:26.451508Z",
"updated_at": "2022-09-04T14:38:26.451527Z",
"structure_string": "Tb6 Se4 N2 O2\n1.0\n7.958267 0.002552 1.014951\n6.991031 3.802566 1.014951\n0.020107 0.005118 9.735504\nTb Se N O\n6 4 2 2\ndirect\n0.391966 0.391967 0.944939 Tb\n0.608034 0.608034 0.055060 Tb\n0.045930 0.045930 0.739741 Tb\n0.954070 0.954071 0.260258 Tb\n0.196185 0.196186 0.325488 Tb\n0.803814 0.803815 0.674511 Tb\n0.212960 0.212961 0.850523 Se\n0.787039 0.787040 0.149476 Se\n0.371721 0.371721 0.472754 Se\n0.628279 0.628280 0.527245 Se\n0.096563 0.096563 0.188453 N\n0.903437 0.903438 0.811546 N\n0.536737 0.536738 0.861147 O\n0.463263 0.463263 0.138852 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Se",
"N",
"O"
],
"chemical_system": "N-O-Se-Tb",
"density": 7.499467021814257,
"density_atomic": 0.04756114032753698,
"volume": 294.3579549099724,
"volume_molar": 12.66189313066848,
"formula_full": "Tb6 Se4 N2 O2",
"formula_reduced": "Tb3Se2NO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.037254097619048,
"spacegroup": 12
},
{
"id": "jvasp-117450",
"created_at": "2022-09-04T14:38:26.458265Z",
"updated_at": "2022-09-04T14:38:26.458287Z",
"structure_string": "Fe6 O2 F10\n1.0\n5.459361 -0.012747 1.710699\n1.084259 5.350624 1.710699\n0.051540 0.042043 7.368642\nFe O F\n6 2 10\ndirect\n0.678332 0.678331 0.845490 Fe\n0.333648 0.333647 0.689592 Fe\n0.666352 0.666351 0.310408 Fe\n0.321668 0.321668 0.154510 Fe\n0.000000 -0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.223207 0.223206 0.970795 O\n0.776793 0.776792 0.029205 O\n0.039898 0.631205 0.658369 F\n0.368794 0.960101 0.341632 F\n0.102642 0.102642 0.691964 F\n0.425933 0.425932 0.370181 F\n0.631206 0.039897 0.658369 F\n0.897358 0.897356 0.308036 F\n0.960103 0.368793 0.341632 F\n0.694794 0.305205 0.000000 F\n0.574068 0.574066 0.629819 F\n0.305206 0.694794 0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.311193673748313,
"density_atomic": 0.08389277389156291,
"volume": 214.55959989195517,
"volume_molar": 7.178378399770193,
"formula_full": "Fe6 O2 F10",
"formula_reduced": "Fe3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.3578168236111112,
"spacegroup": 12
},
{
"id": "jvasp-112282",
"created_at": "2022-09-04T14:38:26.653003Z",
"updated_at": "2022-09-04T14:38:26.653031Z",
"structure_string": "Mn5 Cr1 O12\n1.0\n4.985606 0.002480 0.236159\n-2.512716 4.306104 0.236159\n0.402968 0.702103 8.942016\nMn Cr O\n5 1 12\ndirect\n0.166704 0.833352 0.499999 Mn\n0.666634 0.333295 0.000000 Mn\n0.333295 0.666633 0.000001 Mn\n0.833353 0.166704 0.499999 Mn\n0.500029 0.500029 0.499999 Mn\n-0.000036 -0.000036 0.000002 Cr\n0.700274 0.035734 0.892001 O\n0.628770 0.628769 0.108000 O\n-0.035804 0.299660 0.107998 O\n0.464239 0.130997 0.607884 O\n0.797749 0.797748 0.607907 O\n0.535817 0.869058 0.392118 O\n0.869059 0.535817 0.392118 O\n0.371159 0.371158 0.891999 O\n0.035734 0.700272 0.892001 O\n0.299660 -0.035803 0.107998 O\n0.130997 0.464238 0.607885 O\n0.202307 0.202307 0.392095 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O",
"density": 4.52416235802783,
"density_atomic": 0.094550280177546,
"volume": 190.37489858517284,
"volume_molar": 6.369246869170198,
"formula_full": "Mn5 Cr1 O12",
"formula_reduced": "Mn5CrO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.735714200383142,
"spacegroup": 12
},
{
"id": "jvasp-119231",
"created_at": "2022-09-04T14:38:26.570996Z",
"updated_at": "2022-09-04T14:38:26.571017Z",
"structure_string": "Mg9 Mn2 N8\n1.0\n7.816005 -0.027339 2.464317\n1.199044 4.132771 0.000000\n0.028606 -0.008299 7.076869\nMg Mn N\n9 2 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.077792 0.961104 0.787376 Mg\n0.922208 0.038895 0.212625 Mg\n0.661571 0.669215 0.428294 Mg\n0.338430 0.330784 0.571707 Mg\n0.811452 0.594274 0.952917 Mg\n0.188548 0.405726 0.047083 Mg\n0.341500 0.829249 0.254446 Mg\n0.658501 0.170750 0.745554 Mg\n0.582582 0.208709 0.202827 Mn\n0.417418 0.791290 0.797173 Mn\n0.219576 0.890211 0.015959 N\n0.780425 0.109788 0.984041 N\n0.358065 0.820967 0.580531 N\n0.641935 0.179032 0.419470 N\n0.656062 0.671968 0.740231 N\n0.343939 0.328031 0.259769 N\n0.931551 0.534224 0.252694 N\n0.068450 0.465775 0.747307 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"N"
],
"chemical_system": "Mg-Mn-N",
"density": 3.2022796510169647,
"density_atomic": 0.08314682142091513,
"volume": 228.51144127105084,
"volume_molar": 7.242779287393375,
"formula_full": "Mg9 Mn2 N8",
"formula_reduced": "Mg9(MnN4)2",
"formula_anonymous": "A2B8C9",
"energy_above_hull": 2.751096417513612,
"spacegroup": 12
},
{
"id": "jvasp-117416",
"created_at": "2022-09-04T14:38:26.585344Z",
"updated_at": "2022-09-04T14:38:26.585368Z",
"structure_string": "Li3 Cr2 Cu1 O6\n1.0\n4.900541 -0.268441 14.700906\n1.712440 2.322026 9.276316\n0.277819 -0.124597 9.709870\nLi Cr Cu O\n3 2 1 6\ndirect\n0.166667 0.500000 0.500000 Li\n0.488193 0.509078 0.509078 Li\n0.845140 0.490922 0.490923 Li\n0.005551 0.994141 0.994141 Cr\n0.327783 0.005859 0.005859 Cr\n0.666666 0.000000 0.000000 Cu\n0.202148 0.286911 0.286911 O\n0.587409 0.254714 0.254714 O\n0.131185 0.713089 0.713089 O\n0.964310 0.223900 0.223900 O\n0.369023 0.776101 0.776101 O\n0.745923 0.745287 0.745287 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-Li-O",
"density": 4.400381480734015,
"density_atomic": 0.1118298228027042,
"volume": 107.30590194326788,
"volume_molar": 5.385093715675972,
"formula_full": "Li3 Cr2 Cu1 O6",
"formula_reduced": "Li3Cr2CuO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.4484138541666667,
"spacegroup": 12
},
{
"id": "jvasp-109333",
"created_at": "2022-09-04T14:38:26.748989Z",
"updated_at": "2022-09-04T14:38:26.749021Z",
"structure_string": "La2 C2 I2\n1.0\n4.338935 0.020841 0.233063\n2.334688 3.657324 0.233063\n-0.011351 -0.006256 10.827974\nLa C I\n2 2 2\ndirect\n0.855366 0.855363 0.139220 La\n0.144637 0.144635 0.860780 La\n0.573684 0.573682 0.028713 C\n0.426319 0.426315 0.971286 C\n0.826581 0.826577 0.658716 I\n0.173422 0.173421 0.341283 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"C",
"I"
],
"chemical_system": "C-I-La",
"density": 5.385818317416192,
"density_atomic": 0.03502348424488031,
"volume": 171.31362368314547,
"volume_molar": 17.194579265426192,
"formula_full": "La2 C2 I2",
"formula_reduced": "LaCI",
"formula_anonymous": "ABC",
"energy_above_hull": 1.900150425,
"spacegroup": 12
},
{
"id": "jvasp-109194",
"created_at": "2022-09-04T14:38:26.908982Z",
"updated_at": "2022-09-04T14:38:26.909001Z",
"structure_string": "Cr3 Te2 Se2\n1.0\n6.389627 -0.002309 3.108755\n5.209025 3.700459 3.108755\n-0.001999 -0.000637 6.642084\nCr Te Se\n3 2 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.261434 0.261432 0.774749 Cr\n0.738568 0.738567 0.225249 Cr\n0.370399 0.370398 0.301473 Te\n0.629603 0.629601 0.698524 Te\n0.127217 0.127217 0.192348 Se\n0.872784 0.872782 0.807650 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cr",
"Te",
"Se"
],
"chemical_system": "Cr-Se-Te",
"density": 6.013365909542588,
"density_atomic": 0.04454219903806677,
"volume": 157.1543424252054,
"volume_molar": 13.520079587568956,
"formula_full": "Cr3 Te2 Se2",
"formula_reduced": "Cr3(TeSe)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 3.04740920952381,
"spacegroup": 12
},
{
"id": "jvasp-108867",
"created_at": "2022-09-04T14:38:26.913054Z",
"updated_at": "2022-09-04T14:38:26.913078Z",
"structure_string": "Na2 Pd1 O6\n1.0\n5.918761 -0.281183 1.522579\n-3.029508 5.092433 1.522579\n0.293680 0.489042 3.883519\nNa Pd O\n2 1 6\ndirect\n0.669858 0.330142 0.500000 Na\n0.330142 0.669857 0.500001 Na\n-0.000000 -0.000000 0.500000 Pd\n0.782722 0.068008 0.225019 O\n0.068007 0.782722 0.225020 O\n0.400222 0.400222 -0.035622 O\n0.217277 0.931991 0.774982 O\n0.931992 0.217278 0.774981 O\n0.599777 0.599778 0.035622 O\n",
"nsites": 9,
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"elements": [
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"Pd",
"O"
],
"chemical_system": "Na-O-Pd",
"density": 3.9403493947301578,
"density_atomic": 0.08597727064286485,
"volume": 104.6788288661138,
"volume_molar": 7.0043404669298726,
"formula_full": "Na2 Pd1 O6",
"formula_reduced": "Na2PdO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.840072744444445,
"spacegroup": 12
},
{
"id": "jvasp-24272",
"created_at": "2022-09-04T14:38:27.115852Z",
"updated_at": "2022-09-04T14:38:27.115871Z",
"structure_string": "Nd2 Ta2 Cl2 O7\n1.0\n-3.945806 -0.000002 -0.000114\n-0.000076 -6.955380 0.012971\n1.972862 3.128729 7.061052\nNd Ta Cl O\n2 2 2 7\ndirect\n0.307954 0.834215 0.615905 Nd\n0.692049 0.165784 0.384095 Nd\n0.965491 0.201845 0.930974 Ta\n0.034512 0.798154 0.069026 Ta\n0.677672 0.565906 0.355343 Cl\n0.322331 0.434093 0.644657 Cl\n0.455481 0.163108 0.910958 O\n0.544522 0.836891 0.089042 O\n0.918068 0.846777 0.836138 O\n0.000000 0.500000 -0.000000 O\n0.824992 0.069779 0.649984 O\n0.081934 0.153222 0.163862 O\n0.175010 0.930221 0.350017 O\n",
"nsites": 13,
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"elements": [
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"Cl",
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],
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"density": 7.134436064866297,
"density_atomic": 0.06702890642737956,
"volume": 193.94617476095118,
"volume_molar": 8.984393571338519,
"formula_full": "Nd2 Ta2 Cl2 O7",
"formula_reduced": "Nd2Ta2Cl2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.947288771923077,
"spacegroup": 12
},
{
"id": "jvasp-26813",
"created_at": "2022-09-04T14:38:27.223647Z",
"updated_at": "2022-09-04T14:38:27.223675Z",
"structure_string": "Na1 Zr2 Fe1 F11\n1.0\n5.340992 0.014318 2.029022\n1.010698 5.244510 2.029022\n0.002353 0.001948 7.849986\nNa Zr Fe F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.505337 0.505338 0.764981 Zr\n0.494663 0.494663 0.235019 Zr\n-0.000000 0.000000 0.500000 Fe\n0.812242 0.223265 0.689107 F\n0.776736 0.187758 0.310893 F\n0.187758 0.776736 0.310893 F\n0.223264 0.812243 0.689107 F\n0.500000 0.500000 0.500000 F\n0.328601 0.671399 -0.000000 F\n0.671399 0.328601 -0.000000 F\n0.247094 0.247095 0.348628 F\n0.752905 0.752906 0.651372 F\n0.266243 0.266244 0.891918 F\n0.733756 0.733756 0.108081 F\n",
"nsites": 15,
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"elements": [
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"Fe",
"F"
],
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"density": 3.553888655455274,
"density_atomic": 0.06826579193621296,
"volume": 219.7293779879663,
"volume_molar": 8.82160828900519,
"formula_full": "Na1 Zr2 Fe1 F11",
"formula_reduced": "NaZr2FeF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.5777864405000006,
"spacegroup": 12
},
{
"id": "jvasp-108754",
"created_at": "2022-09-04T14:38:27.312129Z",
"updated_at": "2022-09-04T14:38:27.312155Z",
"structure_string": "Mn4 Fe1 S5\n1.0\n5.413007 0.008938 2.916643\n4.240138 3.364811 2.916643\n-0.039987 -0.013975 8.692628\nMn Fe S\n4 1 5\ndirect\n0.599685 0.599684 0.603714 Mn\n0.201999 0.201999 0.195500 Mn\n0.798002 0.798000 0.804499 Mn\n0.400316 0.400315 0.396286 Mn\n0.000000 0.000000 0.000000 Fe\n0.000000 -0.000001 0.500000 S\n0.597675 0.597674 0.098776 S\n0.199621 0.199619 0.702376 S\n0.800381 0.800380 0.297624 S\n0.402327 0.402325 0.901224 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"S"
],
"chemical_system": "Fe-Mn-S",
"density": 4.568848299258574,
"density_atomic": 0.0631173380045266,
"volume": 158.43507213949405,
"volume_molar": 9.541183057447874,
"formula_full": "Mn4 Fe1 S5",
"formula_reduced": "Mn4FeS5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 3.532888446551724,
"spacegroup": 12
}
]
}