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=nsites&page=4047",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4045",
"results": [
{
"id": "jvasp-34672",
"created_at": "2022-09-04T14:38:08.532358Z",
"updated_at": "2022-09-04T14:38:08.532385Z",
"structure_string": "Ca4 Bi2 As2 O12\n1.0\n5.614676 0.000000 0.000000\n0.000000 7.117716 -2.100274\n-0.000000 0.051908 7.420939\nCa Bi As O\n4 2 2 12\ndirect\n0.763387 0.698224 0.907919 Ca\n0.763387 0.092082 0.301777 Ca\n0.263387 0.907919 0.698224 Ca\n0.263387 0.301777 0.092082 Ca\n0.251696 0.407346 0.592655 Bi\n0.751697 0.592655 0.407346 Bi\n0.803655 0.182281 0.817720 As\n0.303655 0.817720 0.182281 As\n0.423910 0.597815 0.086900 O\n0.423348 0.952769 0.047232 O\n0.011608 0.658334 0.650802 O\n0.497492 0.188826 0.811174 O\n0.011608 0.349199 0.341666 O\n0.923910 0.402186 0.913101 O\n0.511608 0.341666 0.349199 O\n0.423910 0.913101 0.402186 O\n0.923349 0.047232 0.952769 O\n0.511608 0.650802 0.658334 O\n0.997493 0.811175 0.188827 O\n0.923910 0.086900 0.597815 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-Ca-O",
"density": 5.141248579373234,
"density_atomic": 0.0672992642562167,
"volume": 297.18006906966326,
"volume_molar": 8.948301035020172,
"formula_full": "Ca4 Bi2 As2 O12",
"formula_reduced": "Ca2BiAsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.784665789,
"spacegroup": 36
},
{
"id": "jvasp-55728",
"created_at": "2022-09-04T14:38:08.646030Z",
"updated_at": "2022-09-04T14:38:08.646060Z",
"structure_string": "Rb4 H4 C4 O8\n1.0\n4.619222 -0.000000 0.000000\n0.000000 7.269219 0.000000\n0.000000 0.000000 9.194425\nRb H C O\n4 4 4 8\ndirect\n0.950764 0.500000 0.250000 Rb\n0.049236 0.000000 0.750000 Rb\n0.049236 0.500000 0.750000 Rb\n0.950764 0.000000 0.250000 Rb\n0.423095 0.750000 0.034951 H\n0.423095 0.250000 0.465049 H\n0.576905 0.750000 0.534951 H\n0.576905 0.250000 0.965050 H\n0.603920 0.250000 0.546084 C\n0.603920 0.750000 0.953917 C\n0.396080 0.750000 0.453916 C\n0.396080 0.250000 0.046084 C\n0.139486 0.250000 0.996677 O\n0.139486 0.750000 0.503324 O\n0.860514 0.250000 0.496677 O\n0.860514 0.750000 0.003323 O\n0.465017 0.250000 0.179745 O\n0.465017 0.750000 0.320255 O\n0.534982 0.750000 0.820256 O\n0.534982 0.250000 0.679745 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Rb",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Rb",
"density": 2.8073031624803075,
"density_atomic": 0.06478117680701627,
"volume": 308.73165610405914,
"volume_molar": 9.296127450632786,
"formula_full": "Rb4 H4 C4 O8",
"formula_reduced": "RbHCO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.3878334000000003,
"spacegroup": 57
},
{
"id": "jvasp-46859",
"created_at": "2022-09-04T14:38:04.170474Z",
"updated_at": "2022-09-04T14:38:04.170498Z",
"structure_string": "Li4 Mn4 F12\n1.0\n4.921054 -0.000000 0.000000\n-0.000000 5.341697 0.000000\n0.000000 0.000000 8.812052\nLi Mn F\n4 4 12\ndirect\n0.000000 0.250000 0.200353 Li\n0.000000 0.750000 0.799647 Li\n0.500000 0.750000 0.700353 Li\n0.500000 0.250000 0.299647 Li\n0.000000 0.750000 0.403010 Mn\n0.000000 0.250000 0.596989 Mn\n0.500000 0.750000 0.096989 Mn\n0.500000 0.250000 0.903010 Mn\n0.250000 0.046568 0.750000 F\n0.250000 0.546568 0.250000 F\n0.278934 0.588081 0.908787 F\n0.278934 0.088081 0.091213 F\n0.721065 0.911920 0.908787 F\n0.778933 0.411920 0.408787 F\n0.749999 0.953433 0.250000 F\n0.749999 0.453432 0.750000 F\n0.221066 0.088081 0.408787 F\n0.778933 0.911920 0.591213 F\n0.721065 0.411920 0.091213 F\n0.221066 0.588081 0.591213 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4086504215876525,
"density_atomic": 0.08634069974445084,
"volume": 231.64046688520625,
"volume_molar": 6.9748574864741535,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.418811617775862,
"spacegroup": 52
},
{
"id": "jvasp-45907",
"created_at": "2022-09-04T14:38:05.983683Z",
"updated_at": "2022-09-04T14:38:05.983714Z",
"structure_string": "Zn3 Ni7 O10\n1.0\n2.123017 -2.123017 -0.000000\n-2.123017 0.000000 -2.123017\n14.743700 14.743700 -12.620682\nZn Ni O\n3 7 10\ndirect\n0.999392 0.998784 0.998173 Zn\n0.100000 0.200000 0.300000 Zn\n0.200609 0.401217 0.601827 Zn\n0.299010 0.598020 0.897030 Ni\n0.900991 0.801981 0.702970 Ni\n0.500148 0.000294 0.500441 Ni\n0.600001 0.200000 0.800000 Ni\n0.699853 0.399707 0.099559 Ni\n0.399534 0.799070 0.198602 Ni\n0.800467 0.600932 0.401398 Ni\n0.949447 0.898893 0.848338 O\n0.349977 0.699955 0.049931 O\n0.049690 0.099378 0.149069 O\n0.749405 0.498809 0.248213 O\n0.450596 0.901192 0.351787 O\n0.150310 0.300622 0.450931 O\n0.850025 0.700047 0.550069 O\n0.551230 0.102457 0.653687 O\n0.250554 0.501108 0.751662 O\n0.648771 0.297542 0.946313 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zn",
"density": 6.711419870798905,
"density_atomic": 0.10537985389528977,
"volume": 189.78959697432217,
"volume_molar": 5.714698338815191,
"formula_full": "Zn3 Ni7 O10",
"formula_reduced": "Zn3Ni7O10",
"formula_anonymous": "A3B7C10",
"energy_above_hull": 1.6380936499999998,
"spacegroup": 166
},
{
"id": "jvasp-33853",
"created_at": "2022-09-04T14:38:07.684205Z",
"updated_at": "2022-09-04T14:38:07.684232Z",
"structure_string": "Cr4 Sb4 S12\n1.0\n3.657658 0.000000 0.000000\n-0.000000 8.793071 0.000000\n0.000000 0.000000 12.778733\nCr Sb S\n4 4 12\ndirect\n0.250000 0.657474 0.455777 Cr\n0.750000 0.342526 0.544222 Cr\n0.250000 0.157474 0.044223 Cr\n0.750000 0.842526 0.955777 Cr\n0.250000 0.021053 0.662203 Sb\n0.250000 0.521053 0.837797 Sb\n0.750000 0.478947 0.162203 Sb\n0.750000 0.978947 0.337797 Sb\n0.750000 0.327140 0.986976 S\n0.750000 0.502178 0.394877 S\n0.750000 0.711753 0.788944 S\n0.250000 0.288247 0.211055 S\n0.250000 0.497822 0.605123 S\n0.750000 0.002178 0.105123 S\n0.250000 0.997822 0.894876 S\n0.250000 0.172860 0.486976 S\n0.750000 0.827140 0.513024 S\n0.250000 0.672860 0.013024 S\n0.750000 0.211753 0.711055 S\n0.250000 0.788247 0.288945 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cr",
"Sb",
"S"
],
"chemical_system": "Cr-S-Sb",
"density": 4.362774026107346,
"density_atomic": 0.04866296025163414,
"volume": 410.99020480013615,
"volume_molar": 12.375204321438236,
"formula_full": "Cr4 Sb4 S12",
"formula_reduced": "CrSbS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.4605107000000004,
"spacegroup": 62
},
{
"id": "jvasp-27539",
"created_at": "2022-09-04T14:38:06.078073Z",
"updated_at": "2022-09-04T14:38:06.078093Z",
"structure_string": "Li4 Sn2 Te2 O12\n1.0\n4.924758 0.000000 0.000000\n0.000000 5.256432 0.000000\n0.000000 0.000000 8.656663\nLi Sn Te O\n4 2 2 12\ndirect\n0.000000 0.000000 0.307455 Li\n0.500000 0.500000 0.807455 Li\n0.500000 0.000000 0.187697 Li\n0.000000 0.500000 0.687697 Li\n0.500000 0.000000 0.595693 Sn\n0.000000 0.500000 0.095693 Sn\n0.000000 0.000000 0.904508 Te\n0.500000 0.500000 0.404508 Te\n0.211426 0.687949 0.911921 O\n0.288575 0.187949 0.411922 O\n0.265862 0.665391 0.251991 O\n0.788575 0.312051 0.911921 O\n0.234138 0.165391 0.751990 O\n0.709815 0.338533 0.573361 O\n0.734138 0.334609 0.251991 O\n0.290185 0.661467 0.573361 O\n0.711426 0.812051 0.411922 O\n0.790185 0.838533 0.073361 O\n0.765863 0.834608 0.751990 O\n0.209815 0.161467 0.073361 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Sn",
"Te",
"O"
],
"chemical_system": "Li-O-Sn-Te",
"density": 5.278765977879573,
"density_atomic": 0.08924903721984095,
"volume": 224.09205323678046,
"volume_molar": 6.747569438946527,
"formula_full": "Li4 Sn2 Te2 O12",
"formula_reduced": "Li2SnTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.886076046666667,
"spacegroup": 34
},
{
"id": "jvasp-13383",
"created_at": "2022-09-04T14:38:04.757563Z",
"updated_at": "2022-09-04T14:38:04.757594Z",
"structure_string": "Na6 Cr2 Cl12\n1.0\n3.390842 -5.873112 -0.000000\n3.390842 5.873112 0.000000\n-0.000000 -0.000000 11.969998\nNa Cr Cl\n6 2 12\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.542775 Na\n0.333333 0.666667 0.957225 Na\n0.666667 0.333333 0.457225 Na\n0.666667 0.333333 0.042775 Na\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.678425 0.056065 0.633820 Cl\n0.943934 0.622359 0.633820 Cl\n0.943935 0.321574 0.866180 Cl\n0.678425 0.622359 0.866180 Cl\n0.056065 0.377640 0.366180 Cl\n0.321574 0.377640 0.133820 Cl\n0.622359 0.678425 0.366180 Cl\n0.321574 0.943935 0.366180 Cl\n0.377640 0.321574 0.633820 Cl\n0.056065 0.678425 0.133820 Cl\n0.377640 0.056065 0.866180 Cl\n0.622359 0.943934 0.133820 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Na",
"density": 2.324415672983299,
"density_atomic": 0.04194981843090299,
"volume": 476.76010881769844,
"volume_molar": 14.355582420265486,
"formula_full": "Na6 Cr2 Cl12",
"formula_reduced": "Na3CrCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.2299978805000006,
"spacegroup": 163
},
{
"id": "jvasp-44714",
"created_at": "2022-09-04T14:38:04.714661Z",
"updated_at": "2022-09-04T14:38:04.714687Z",
"structure_string": "Li5 Fe3 Ni2 O10\n1.0\n4.993068 0.013853 0.086265\n0.762489 5.023766 0.086759\n2.483239 2.249496 6.948832\nLi Fe Ni O\n5 3 2 10\ndirect\n0.499052 0.804256 0.417024 Li\n0.508880 0.608333 0.783549 Li\n-0.000000 0.500001 0.500000 Li\n0.491121 0.391668 0.216450 Li\n0.500948 0.195745 0.582975 Li\n0.500000 -0.000000 -0.000000 Fe\n0.008263 0.301659 0.894075 Fe\n0.991738 0.698343 0.105924 Fe\n-0.005116 0.104766 0.307532 Ni\n0.005116 0.895235 0.692468 Ni\n0.251922 0.318358 0.042556 O\n0.230652 0.924150 0.857818 O\n0.748079 0.681644 0.957444 O\n0.762186 0.864996 0.548315 O\n0.240002 0.763960 0.227648 O\n0.223917 0.537986 0.669844 O\n0.776084 0.462015 0.330156 O\n0.759999 0.236041 0.772351 O\n0.237814 0.135006 0.451684 O\n0.769348 0.075851 0.142181 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.621495930520372,
"density_atomic": 0.11605542972689575,
"volume": 172.33144581916116,
"volume_molar": 5.18902112048651,
"formula_full": "Li5 Fe3 Ni2 O10",
"formula_reduced": "Li5Fe3(NiO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.445424315,
"spacegroup": 2
},
{
"id": "jvasp-46697",
"created_at": "2022-09-04T14:38:07.770774Z",
"updated_at": "2022-09-04T14:38:07.770797Z",
"structure_string": "Li2 Mn6 O2 F10\n1.0\n6.221437 -0.017105 -0.007206\n-0.229886 6.265611 -0.020806\n-0.270383 -0.271557 6.240233\nLi Mn O F\n2 6 2 10\ndirect\n0.488262 0.502214 0.514124 Li\n0.007029 0.016076 0.023043 Li\n0.726752 0.445514 0.913432 Mn\n0.065591 0.242351 0.550091 Mn\n0.589387 0.077830 0.263421 Mn\n0.437101 0.905933 0.752422 Mn\n0.926863 0.759215 0.426211 Mn\n0.262753 0.565760 0.057623 Mn\n0.460785 0.597162 0.819754 O\n0.909324 0.061492 0.321494 O\n0.933113 0.681961 0.073695 F\n0.688325 0.096944 0.909589 F\n0.067034 0.307859 0.900486 F\n0.406402 0.184217 0.548833 F\n0.817120 0.474150 0.582997 F\n0.187132 0.534737 0.390173 F\n0.545112 0.403570 0.205064 F\n0.090667 0.909607 0.705829 F\n0.576628 0.794806 0.449011 F\n0.314624 0.938596 0.092688 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.8614536335243104,
"density_atomic": 0.08224403532099321,
"volume": 243.17872927734246,
"volume_molar": 7.322282687730447,
"formula_full": "Li2 Mn6 O2 F10",
"formula_reduced": "LiMn3OF5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.5772986636637931,
"spacegroup": 1
},
{
"id": "jvasp-20327",
"created_at": "2022-09-04T14:38:13.592047Z",
"updated_at": "2022-09-04T14:38:13.592081Z",
"structure_string": "Pr8 C12\n1.0\n7.104836 -0.000000 -2.511939\n-3.552418 6.152968 -2.511939\n0.000000 0.000000 7.535817\nPr C\n8 12\ndirect\n0.604511 0.604511 0.604511 Pr\n0.500000 0.000000 0.395490 Pr\n-0.000000 0.395490 0.500000 Pr\n0.500000 -0.000000 0.895490 Pr\n-0.000000 0.895490 0.500000 Pr\n0.895490 0.500000 -0.000000 Pr\n0.104510 0.104510 0.104510 Pr\n0.395490 0.500000 -0.000000 Pr\n0.750000 0.799144 0.049143 C\n0.750000 0.950857 0.200856 C\n0.250000 0.549144 0.299144 C\n0.200857 0.750000 0.950857 C\n0.950857 0.200857 0.750000 C\n0.250000 0.700857 0.450857 C\n0.700857 0.450857 0.250000 C\n0.799144 0.049144 0.750000 C\n0.049143 0.750000 0.799144 C\n0.450857 0.250000 0.700857 C\n0.549144 0.299144 0.250000 C\n0.299144 0.250000 0.549144 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pr",
"C"
],
"chemical_system": "C-Pr",
"density": 6.408534025214377,
"density_atomic": 0.06071009858571648,
"volume": 329.4344839806517,
"volume_molar": 9.919504168647249,
"formula_full": "Pr8 C12",
"formula_reduced": "Pr2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.51962194,
"spacegroup": 220
},
{
"id": "jvasp-45286",
"created_at": "2022-09-04T14:38:13.494587Z",
"updated_at": "2022-09-04T14:38:13.494607Z",
"structure_string": "Nd6 Ga2 O12\n1.0\n5.632531 -0.000000 -0.000000\n-0.000000 7.230063 -1.654286\n0.000000 0.012172 7.416895\nNd Ga O\n6 2 12\ndirect\n0.531156 0.298755 0.086804 Nd\n0.531156 0.913195 0.701244 Nd\n0.031157 0.086804 0.298755 Nd\n0.575180 0.395953 0.604046 Nd\n0.075180 0.604047 0.395952 Nd\n0.031157 0.701244 0.913195 Nd\n0.998287 0.191767 0.808232 Ga\n0.498287 0.808233 0.191766 Ga\n0.329008 0.894265 0.415232 O\n0.829008 0.105734 0.584767 O\n0.825530 0.784355 0.215644 O\n0.801507 0.354168 0.327065 O\n0.301508 0.645831 0.672934 O\n0.801507 0.672934 0.645831 O\n0.301508 0.327065 0.354168 O\n0.865818 0.040933 0.959066 O\n0.365818 0.959066 0.040933 O\n0.325530 0.215644 0.784355 O\n0.829008 0.415232 0.894265 O\n0.329008 0.584767 0.105734 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"O"
],
"chemical_system": "Ga-Nd-O",
"density": 6.577680534765326,
"density_atomic": 0.0661910310754462,
"volume": 302.1557403631241,
"volume_molar": 9.098121999543736,
"formula_full": "Nd6 Ga2 O12",
"formula_reduced": "Nd3GaO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.9435327825,
"spacegroup": 36
},
{
"id": "jvasp-55714",
"created_at": "2022-09-04T14:38:06.502294Z",
"updated_at": "2022-09-04T14:38:06.502303Z",
"structure_string": "H8 I2 N2 O8\n1.0\n5.567223 0.000001 -2.395290\n-1.030570 5.471005 -2.395289\n-0.072369 -0.087275 7.499216\nH I N O\n8 2 2 8\ndirect\n0.641620 0.059299 0.348961 H\n0.289661 0.141620 0.848961 H\n0.559299 0.207339 0.848961 H\n0.707340 0.789661 0.348961 H\n0.358379 0.940699 0.651038 H\n0.710338 0.858378 0.151038 H\n0.440700 0.792659 0.151038 H\n0.292659 0.210337 0.651039 H\n0.874999 0.624999 0.750000 I\n0.125000 0.374999 0.250000 I\n0.375000 0.124999 0.750000 N\n0.624999 0.874999 0.249999 N\n0.658285 0.337427 0.586954 O\n0.341714 0.662571 0.413045 O\n0.071331 0.250474 0.413045 O\n0.750474 0.841712 0.913045 O\n0.837427 0.428668 0.086954 O\n0.249525 0.158286 0.086954 O\n0.928668 0.749524 0.586954 O\n0.162572 0.571330 0.913045 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"I",
"N",
"O"
],
"chemical_system": "H-I-N-O",
"density": 3.0692236057607696,
"density_atomic": 0.08846199722090077,
"volume": 226.08578404642478,
"volume_molar": 6.807602076812662,
"formula_full": "H8 I2 N2 O8",
"formula_reduced": "H4INO4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 2.928641352500001,
"spacegroup": 88
}
]
}