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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4166",
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"results": [
{
"id": "jvasp-34153",
"created_at": "2022-09-04T14:37:20.129604Z",
"updated_at": "2022-09-04T14:37:20.129624Z",
"structure_string": "Tb6 Br7\n1.0\n3.693849 -0.000000 0.676512\n1.164623 9.735090 4.063714\n-0.042966 0.193085 10.657321\nTb Br\n6 7\ndirect\n0.128085 0.299782 0.444046 Tb\n0.871913 0.700217 0.555954 Tb\n0.319407 0.002075 0.359112 Tb\n0.680592 -0.002075 0.640888 Tb\n0.774362 0.300459 0.150816 Tb\n0.225636 0.699541 0.849183 Tb\n0.499999 0.500000 0.500000 Br\n0.048249 0.169783 0.733718 Br\n0.951750 0.830216 0.266282 Br\n0.163300 0.515318 0.158083 Br\n0.836699 0.484682 0.841917 Br\n0.397660 0.152451 0.052228 Br\n0.602339 0.847549 0.947771 Br\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Tb",
"Br"
],
"chemical_system": "Br-Tb",
"density": 6.597613746302057,
"density_atomic": 0.03414103092260522,
"volume": 380.77350474477123,
"volume_molar": 17.639012640396462,
"formula_full": "Tb6 Br7",
"formula_reduced": "Tb6Br7",
"formula_anonymous": "A6B7",
"energy_above_hull": 0.8280646153846155,
"spacegroup": 12
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{
"id": "jvasp-34157",
"created_at": "2022-09-04T14:37:20.173187Z",
"updated_at": "2022-09-04T14:37:20.173216Z",
"structure_string": "Tb4 Fe2 Si4\n1.0\n4.033695 -0.000000 0.953221\n1.963289 5.286039 0.703252\n0.005618 -0.062897 8.987429\nTb Fe Si\n4 2 4\ndirect\n0.188914 0.728772 0.893402 Tb\n0.811088 0.271227 0.106598 Tb\n0.997867 0.332198 0.672072 Tb\n0.002136 0.667802 0.327928 Tb\n0.726743 0.923456 0.623061 Fe\n0.273259 0.076544 0.376939 Fe\n0.500724 0.126554 0.872000 Si\n0.499278 0.873445 0.127999 Si\n0.340898 0.752112 0.566094 Si\n0.659104 0.247888 0.433906 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Fe",
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],
"chemical_system": "Fe-Si-Tb",
"density": 7.448530042911849,
"density_atomic": 0.052174425687085454,
"volume": 191.6647834319193,
"volume_molar": 11.54232304561934,
"formula_full": "Tb4 Fe2 Si4",
"formula_reduced": "Tb2FeSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.5379239,
"spacegroup": 12
},
{
"id": "jvasp-26758",
"created_at": "2022-09-04T14:37:26.950827Z",
"updated_at": "2022-09-04T14:37:26.950862Z",
"structure_string": "Tb5 Se2 Cl3 O10\n1.0\n5.485318 -0.000000 0.000000\n-2.742658 6.080902 -0.032311\n0.000000 0.032447 9.784056\nTb Se Cl O\n5 2 3 10\ndirect\n0.210934 0.421868 0.105083 Tb\n0.900796 0.801590 0.236521 Tb\n0.099204 0.198410 0.763479 Tb\n0.500000 0.000000 -0.000000 Tb\n0.789066 0.578132 0.894918 Tb\n0.410097 0.820195 0.678196 Se\n0.589903 0.179805 0.321805 Se\n0.335386 0.670772 0.352929 Cl\n0.000000 0.000000 0.500000 Cl\n0.664614 0.329228 0.647071 Cl\n0.273989 0.547978 0.704299 O\n0.899424 0.289319 0.939464 O\n0.318631 0.114006 0.205347 O\n0.795375 0.114006 0.205347 O\n0.610106 0.710682 0.060536 O\n0.204625 0.885994 0.794653 O\n0.100577 0.710682 0.060536 O\n0.681369 0.885994 0.794653 O\n0.726011 0.452022 0.295702 O\n0.389894 0.289319 0.939464 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tb",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-O-Se-Tb",
"density": 6.2018418678769525,
"density_atomic": 0.061282094302707237,
"volume": 326.3596035280483,
"volume_molar": 9.826917354118496,
"formula_full": "Tb5 Se2 Cl3 O10",
"formula_reduced": "Tb5Se2Cl3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.0321067967916666,
"spacegroup": 12
},
{
"id": "jvasp-43034",
"created_at": "2022-09-04T14:37:27.052901Z",
"updated_at": "2022-09-04T14:37:27.052925Z",
"structure_string": "Li4 V2 O6\n1.0\n4.970403 -0.004048 0.058331\n-2.478753 4.316579 -0.024235\n-0.922404 -1.449541 4.752182\nLi V O\n4 2 6\ndirect\n0.500665 0.000474 0.999529 Li\n0.000593 0.500416 0.499488 Li\n0.158864 0.339518 0.996489 Li\n0.842409 0.661399 0.002456 Li\n0.337560 0.173037 0.499080 V\n0.663622 0.827787 0.499908 V\n0.724434 0.226604 0.731199 O\n0.276754 0.774231 0.267779 O\n0.430538 0.579852 0.731416 O\n0.926153 0.072479 0.273992 O\n0.570647 0.420978 0.267569 O\n0.075027 0.928352 0.724994 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.6670226917174786,
"density_atomic": 0.11744191140854077,
"volume": 102.1781734993741,
"volume_molar": 5.127761195107771,
"formula_full": "Li4 V2 O6",
"formula_reduced": "Li2VO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.984934116666667,
"spacegroup": 12
},
{
"id": "jvasp-52444",
"created_at": "2022-09-04T14:37:27.223116Z",
"updated_at": "2022-09-04T14:37:27.223136Z",
"structure_string": "Cr2 Cd1 H14 N4 O8\n1.0\n5.949831 3.040546 -2.230663\n-5.949831 3.040546 2.230663\n-0.014199 0.000000 7.624164\nCr Cd H N O\n2 1 14 4 8\ndirect\n0.337590 0.662412 0.778865 Cr\n0.662412 0.337590 0.221135 Cr\n0.000000 0.000000 0.000000 Cd\n0.420033 0.851465 0.204213 H\n0.148536 0.579968 0.204213 H\n0.851465 0.420033 0.795786 H\n0.354858 0.645143 0.410417 H\n0.645143 0.354858 0.589583 H\n0.408560 0.591441 0.237693 H\n0.579968 0.148536 0.795786 H\n0.181132 0.092379 0.358177 H\n0.907623 0.818870 0.358177 H\n0.818870 0.907623 0.641823 H\n0.092379 0.181132 0.641823 H\n0.922281 0.077720 0.302422 H\n0.077720 0.922282 0.697576 H\n0.591441 0.408560 0.762307 H\n0.333867 0.666134 0.264744 N\n0.666134 0.333867 0.735255 N\n-0.001037 0.001037 0.708578 N\n0.001037 -0.001037 0.291422 N\n0.208411 0.791590 0.625738 O\n0.130888 0.420394 0.912745 O\n0.579607 0.869113 0.912745 O\n0.869113 0.579607 0.087255 O\n0.420394 0.130888 0.087255 O\n0.428700 0.571301 0.665525 O\n0.571301 0.428701 0.334475 O\n0.791590 0.208411 0.374261 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Cr",
"Cd",
"H",
"N",
"O"
],
"chemical_system": "Cd-Cr-H-N-O",
"density": 2.497104022480177,
"density_atomic": 0.10520173567093218,
"volume": 275.66085117370227,
"volume_molar": 5.724373957894643,
"formula_full": "Cr2 Cd1 H14 N4 O8",
"formula_reduced": "Cr2CdH14(NO2)4",
"formula_anonymous": "AB2C4D8E14",
"energy_above_hull": 3.671372605172414,
"spacegroup": 12
},
{
"id": "jvasp-46544",
"created_at": "2022-09-04T14:37:27.282385Z",
"updated_at": "2022-09-04T14:37:27.282408Z",
"structure_string": "Li3 Co1 Cu4 O8\n1.0\n-0.263642 2.882820 -5.568844\n1.363508 -2.553626 -5.568844\n-4.977591 1.471918 -3.039828\nLi Co Cu O\n3 1 4 8\ndirect\n0.000000 -0.000000 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n-0.000000 0.500000 -0.000000 Cu\n0.467378 0.299816 0.832437 O\n0.985709 0.238590 0.713775 O\n0.524814 0.699485 0.713775 O\n0.963275 0.795851 0.832575 O\n0.036724 0.204149 0.167424 O\n0.475185 0.300515 0.286224 O\n0.014291 0.761410 0.286224 O\n0.532621 0.700183 0.167562 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-Li-O",
"density": 5.208898819838736,
"density_atomic": 0.10865145991597239,
"volume": 147.25987126518038,
"volume_molar": 5.542622956614972,
"formula_full": "Li3 Co1 Cu4 O8",
"formula_reduced": "Li3Co(CuO2)4",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 1.71465316875,
"spacegroup": 12
},
{
"id": "jvasp-9543",
"created_at": "2022-09-04T14:37:27.398484Z",
"updated_at": "2022-09-04T14:37:27.398511Z",
"structure_string": "Ca2 Cr3 O8\n1.0\n4.743615 -0.001871 -1.485069\n-0.871885 5.181929 -2.791506\n-0.003982 -0.038305 6.271711\nCa Cr O\n2 3 8\ndirect\n0.667099 0.726408 0.452815 Ca\n0.332903 0.273593 0.547184 Ca\n0.500002 0.999999 -0.000000 Cr\n1.000001 0.738721 -0.000000 Cr\n1.000000 0.261280 0.000000 Cr\n0.045651 0.399577 0.799156 O\n0.954352 0.600421 0.200843 O\n0.093563 0.901176 0.802353 O\n0.906439 0.098823 0.197646 O\n0.392405 0.321826 0.203048 O\n0.392406 0.881222 0.203048 O\n0.607598 0.118776 0.796951 O\n0.607598 0.678174 0.796951 O\n",
"nsites": 13,
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"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 3.937468149543209,
"density_atomic": 0.08465322678695493,
"volume": 153.56768422681438,
"volume_molar": 7.113893927700831,
"formula_full": "Ca2 Cr3 O8",
"formula_reduced": "Ca2Cr3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.90545008,
"spacegroup": 12
},
{
"id": "jvasp-30635",
"created_at": "2022-09-04T14:37:27.490452Z",
"updated_at": "2022-09-04T14:37:27.490477Z",
"structure_string": "Mg2 Mn3 O8\n1.0\n4.635697 0.032605 -1.387365\n-0.838534 4.983718 -2.684730\n-0.011741 -0.139875 5.843021\nMg Mn O\n2 3 8\ndirect\n0.650239 0.722763 0.445525 Mg\n0.349762 0.277240 0.554477 Mg\n0.500001 1.000000 0.000001 Mn\n1.000000 0.739299 0.000002 Mn\n1.000000 0.260703 0.000002 Mn\n0.071627 0.392605 0.785209 O\n0.928375 0.607396 0.214793 O\n0.091095 0.894773 0.789542 O\n0.908907 0.105229 0.210459 O\n0.398670 0.340313 0.226844 O\n0.398671 0.886532 0.226844 O\n0.601332 0.113469 0.773158 O\n0.601333 0.659689 0.773158 O\n",
"nsites": 13,
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"elements": [
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"Mn",
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],
"chemical_system": "Mg-Mn-O",
"density": 4.257349371567534,
"density_atomic": 0.09762149043380476,
"volume": 133.16739933216905,
"volume_molar": 6.168867872472709,
"formula_full": "Mg2 Mn3 O8",
"formula_reduced": "Mg2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.6912729095490717,
"spacegroup": 12
},
{
"id": "jvasp-34170",
"created_at": "2022-09-04T14:37:27.514751Z",
"updated_at": "2022-09-04T14:37:27.514771Z",
"structure_string": "Ga3 Pd7\n1.0\n3.935744 0.000000 -1.173984\n-0.412073 5.339144 -1.381460\n-0.005975 0.002206 7.164194\nGa Pd\n3 7\ndirect\n0.000000 0.000000 0.000000 Ga\n0.808920 0.335688 0.617840 Ga\n0.191081 0.664312 0.382160 Ga\n0.000000 0.500000 -0.000000 Pd\n0.794334 0.862553 0.588667 Pd\n0.205667 0.137447 0.411333 Pd\n0.626469 0.387493 0.252939 Pd\n0.373532 0.612507 0.747061 Pd\n0.581266 0.856172 0.162530 Pd\n0.418735 0.143828 0.837470 Pd\n",
"nsites": 10,
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],
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"density": 10.525715893234091,
"density_atomic": 0.06643616476810316,
"volume": 150.52042866871096,
"volume_molar": 9.064552086985167,
"formula_full": "Ga3 Pd7",
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"formula_anonymous": "A3B7",
"energy_above_hull": 1.1825466875,
"spacegroup": 12
},
{
"id": "jvasp-9102",
"created_at": "2022-09-04T14:37:27.588939Z",
"updated_at": "2022-09-04T14:37:27.588971Z",
"structure_string": "Sm6 O9\n1.0\n3.623282 0.000000 -0.000000\n-1.811641 7.032288 -1.247458\n-0.000000 0.020723 8.886888\nSm O\n6 9\ndirect\n0.033639 0.067277 0.812121 Sm\n0.966361 0.932722 0.187879 Sm\n0.309714 0.619426 0.862254 Sm\n0.690286 0.380574 0.137746 Sm\n0.365139 0.730277 0.511931 Sm\n0.634861 0.269723 0.488069 Sm\n0.500000 -0.000000 0.000000 O\n0.527029 0.054057 0.655698 O\n0.472971 0.945943 0.344302 O\n0.203752 0.407504 0.625966 O\n0.796248 0.592496 0.374033 O\n0.175188 0.350375 0.971840 O\n0.128858 0.257715 0.284676 O\n0.871142 0.742285 0.715323 O\n0.824812 0.649625 0.028159 O\n",
"nsites": 15,
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"elements": [
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"density_atomic": 0.06621603302259042,
"volume": 226.5312389656832,
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"formula_full": "Sm6 O9",
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"spacegroup": 12
},
{
"id": "jvasp-16771",
"created_at": "2022-09-04T14:37:27.704432Z",
"updated_at": "2022-09-04T14:37:27.704458Z",
"structure_string": "Ta2 As4\n1.0\n3.335614 -0.000000 0.831797\n1.528678 4.701445 0.973823\n0.009023 0.003692 7.067840\nTa As\n2 4\ndirect\n0.157305 0.880973 0.804417 Ta\n0.842695 0.119025 0.195583 Ta\n0.859746 0.752086 0.528420 As\n0.140253 0.247913 0.471580 As\n0.406247 0.295610 0.891892 As\n0.593752 0.704389 0.108108 As\n",
"nsites": 6,
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"elements": [
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],
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"density": 9.91530120609385,
"density_atomic": 0.05415321921153065,
"volume": 110.79673724590765,
"volume_molar": 11.120559124059845,
"formula_full": "Ta2 As4",
"formula_reduced": "TaAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.209720899999999,
"spacegroup": 12
},
{
"id": "jvasp-9538",
"created_at": "2022-09-04T14:37:27.872742Z",
"updated_at": "2022-09-04T14:37:27.872762Z",
"structure_string": "Mg4 V4 O8\n1.0\n2.875567 -0.001199 -0.003725\n-1.434097 8.503648 -0.462683\n-1.428981 -1.445485 8.030159\nMg V O\n4 4 8\ndirect\n0.589198 0.960628 0.218074 Mg\n0.434836 0.059452 0.810126 Mg\n0.269348 0.328518 0.210052 Mg\n0.754709 0.691575 0.818162 Mg\n0.161522 0.793730 0.529277 V\n0.388114 0.645428 0.130958 V\n0.635941 0.374648 0.897243 V\n0.862527 0.226351 0.498922 V\n0.445729 0.226556 0.664984 O\n0.207005 0.543683 0.870506 O\n0.817044 0.476403 0.157693 O\n0.578318 0.793521 0.363211 O\n0.803178 0.888574 0.717711 O\n0.941435 0.810994 0.072172 O\n0.220863 0.131507 0.310491 O\n0.082621 0.209090 0.956032 O\n",
"nsites": 16,
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"elements": [
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"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.6648816705624867,
"density_atomic": 0.08231757772694305,
"volume": 194.36917899933664,
"volume_molar": 7.315740970872757,
"formula_full": "Mg4 V4 O8",
"formula_reduced": "MgVO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5404775625,
"spacegroup": 12
}
]
}