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=508",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=506",
"results": [
{
"id": "jvasp-50381",
"created_at": "2022-09-04T14:36:47.923394Z",
"updated_at": "2022-09-04T14:36:47.923417Z",
"structure_string": "Tb6 Nb2 O14\n1.0\n5.326210 3.672439 -0.000000\n-5.326210 3.672439 -0.000000\n0.000000 -0.000000 7.539556\nTb Nb O\n6 2 14\ndirect\n0.064421 0.519211 0.250000 Tb\n0.480789 0.935579 0.750000 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.519211 0.064421 0.250000 Tb\n0.935579 0.480789 0.750000 Tb\n0.500000 0.500000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.436029 0.176325 0.961728 O\n0.823675 0.563972 0.461728 O\n0.823675 0.563972 0.038273 O\n0.436029 0.176325 0.538273 O\n0.585946 0.585946 0.750000 O\n0.414054 0.414054 0.250000 O\n0.176325 0.436029 0.538273 O\n0.563972 0.823675 0.461728 O\n0.563972 0.823675 0.038273 O\n0.890813 0.154942 0.250000 O\n0.109188 0.845058 0.750000 O\n0.154942 0.890813 0.250000 O\n0.176325 0.436029 0.961728 O\n0.845058 0.109188 0.750000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Nb",
"O"
],
"chemical_system": "Nb-O-Tb",
"density": 7.675556526148783,
"density_atomic": 0.07458887165951623,
"volume": 294.95016495792754,
"volume_molar": 8.073779138917542,
"formula_full": "Tb6 Nb2 O14",
"formula_reduced": "Tb3NbO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.611619918181818,
"spacegroup": 63
},
{
"id": "jvasp-45322",
"created_at": "2022-09-04T14:36:47.947134Z",
"updated_at": "2022-09-04T14:36:47.947157Z",
"structure_string": "Sr2 P12 Pt8\n1.0\n5.814618 0.000806 0.050244\n0.192227 5.811440 0.050244\n-0.007541 -0.007296 11.588201\nSr P Pt\n2 12 8\ndirect\n0.597912 0.402089 0.250000 Sr\n0.402089 0.597912 0.750000 Sr\n0.129821 0.089453 0.305365 P\n0.608863 0.116376 0.948766 P\n0.116376 0.608862 0.448766 P\n0.391138 0.883625 0.051233 P\n0.615779 0.885576 0.446900 P\n0.883625 0.391138 0.551233 P\n0.384222 0.114425 0.553099 P\n0.885576 0.615778 0.946900 P\n0.089454 0.129820 0.805365 P\n0.870180 0.910547 0.694635 P\n0.910547 0.870180 0.194635 P\n0.114425 0.384222 0.053099 P\n0.506706 0.922687 0.249781 Pt\n0.922687 0.506706 0.749781 Pt\n0.493295 0.077313 0.750218 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n0.000000 -0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.077314 0.493295 0.250218 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"P",
"Pt"
],
"chemical_system": "P-Pt-Sr",
"density": 8.93743705778744,
"density_atomic": 0.05618223063568522,
"volume": 391.58288574655273,
"volume_molar": 10.7189420780579,
"formula_full": "Sr2 P12 Pt8",
"formula_reduced": "Sr(P3Pt2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.9816522645454544,
"spacegroup": 15
},
{
"id": "jvasp-103953",
"created_at": "2022-09-04T14:36:55.141387Z",
"updated_at": "2022-09-04T14:36:55.141406Z",
"structure_string": "Hf1 H10 C7 O4\n1.0\n4.506718 0.087208 -0.395826\n1.638008 4.649790 0.093969\n-1.000897 0.186846 9.135966\nHf H C O\n1 10 7 4\ndirect\n0.675907 0.163472 0.806399 Hf\n-0.282217 0.914736 0.339345 H\n0.170295 0.773776 0.528895 H\n0.243150 0.403063 0.502365 H\n0.614209 0.565093 0.164756 H\n0.552293 0.695401 0.420783 H\n0.088409 0.684966 0.149428 H\n0.321669 0.432635 0.297960 H\n0.337011 0.785027 0.856961 H\n0.517030 0.172703 0.114583 H\n0.848851 0.269041 0.298131 H\n-0.022315 0.566276 0.667919 C\n0.055992 0.609275 0.517079 C\n0.122067 0.121582 -0.015295 C\n0.769257 0.691882 0.383342 C\n0.824332 0.487719 0.256932 C\n0.124441 0.469371 0.200993 C\n0.253246 0.243278 0.097960 C\n0.881973 0.328390 0.674946 O\n0.271805 0.513027 0.779147 O\n0.741211 0.812942 0.701438 O\n0.383073 0.950619 0.910412 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 2.972000595409697,
"density_atomic": 0.11696456396901704,
"volume": 188.09115558988978,
"volume_molar": 5.1486882485153505,
"formula_full": "Hf1 H10 C7 O4",
"formula_reduced": "HfH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.772040318181818,
"spacegroup": 1
},
{
"id": "jvasp-103779",
"created_at": "2022-09-04T14:37:02.776827Z",
"updated_at": "2022-09-04T14:37:02.776847Z",
"structure_string": "H8 C12 S2\n1.0\n5.493492 0.025744 -0.152941\n-2.755757 5.141659 -0.545276\n0.319020 0.063140 9.040384\nH C S\n8 12 2\ndirect\n0.221617 0.459644 0.421041 H\n0.432132 0.273078 0.910711 H\n0.858760 0.904195 0.948434 H\n0.089403 0.841508 0.703117 H\n0.696389 0.330143 0.039807 H\n0.057289 0.585207 0.202952 H\n0.868653 0.637883 0.445288 H\n0.405693 0.407738 0.179025 H\n0.288425 0.236490 0.235636 C\n0.179857 0.266437 0.371869 C\n0.352197 0.945955 0.027051 C\n0.247080 0.989821 0.171510 C\n0.030172 0.052451 0.450739 C\n0.092615 0.776438 0.251181 C\n0.931892 0.068053 0.599817 C\n0.550618 0.183077 0.953952 C\n0.709975 0.124789 0.834117 C\n0.849821 0.983957 0.846604 C\n0.971212 0.948040 0.714531 C\n0.988089 0.806104 0.386579 C\n0.735425 0.220659 0.657362 S\n0.249304 0.649887 0.943065 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.4006777460596964,
"density_atomic": 0.08578498567315426,
"volume": 256.45513404666485,
"volume_molar": 7.020040526607655,
"formula_full": "H8 C12 S2",
"formula_reduced": "H4C6S",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.33078090909091,
"spacegroup": 1
},
{
"id": "jvasp-22442",
"created_at": "2022-09-04T14:37:03.255400Z",
"updated_at": "2022-09-04T14:37:03.255429Z",
"structure_string": "Ba6 Na2 Ir2 O12\n1.0\n7.123308 -0.003472 -0.195872\n-0.201236 7.120466 -0.195872\n-0.003378 -0.003472 7.125999\nBa Na Ir O\n6 2 2 12\ndirect\n0.893404 0.606596 0.250000 Ba\n0.249999 0.893405 0.606596 Ba\n0.606595 0.250001 0.893405 Ba\n0.106595 0.393405 0.750000 Ba\n0.750000 0.106596 0.393405 Ba\n0.393404 0.750001 0.106596 Ba\n0.750000 0.750001 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500001 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.949461 0.267447 0.083238 O\n0.767446 0.449462 0.583238 O\n0.416762 0.232554 0.550539 O\n0.550539 0.416762 0.232554 O\n0.232554 0.550539 0.416762 O\n0.732554 0.916763 0.050539 O\n0.050538 0.732555 0.916762 O\n0.916762 0.050539 0.732554 O\n0.583238 0.767447 0.449462 O\n0.449461 0.583239 0.767446 O\n0.083238 0.949462 0.267446 O\n0.267446 0.083239 0.949461 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Na-O",
"density": 6.645225739434842,
"density_atomic": 0.060870156107504216,
"volume": 361.4250629018477,
"volume_molar": 9.893420922667186,
"formula_full": "Ba6 Na2 Ir2 O12",
"formula_reduced": "Ba3NaIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.7389771827272726,
"spacegroup": 167
},
{
"id": "jvasp-13425",
"created_at": "2022-09-04T14:36:41.226738Z",
"updated_at": "2022-09-04T14:36:41.226772Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n8.290076 -0.121868 2.234658\n1.709531 8.112812 2.234658\n-0.116956 -0.093463 8.593405\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.706418 0.706418 0.706590 S\n0.293582 0.293582 0.293411 S\n0.968146 0.968146 0.293170 Cl\n0.653538 0.653539 0.953485 Cl\n0.346462 0.346461 0.046516 Cl\n0.046511 0.346277 0.346148 Cl\n0.653723 0.953488 0.653853 Cl\n0.953489 0.653723 0.653853 Cl\n0.346277 0.046511 0.346148 Cl\n0.685543 0.685543 0.358880 Cl\n0.314457 0.314457 0.641121 Cl\n0.358394 0.685233 0.685404 Cl\n0.641605 0.314767 0.314597 Cl\n0.685233 0.358395 0.685404 Cl\n0.968359 0.293347 0.968397 Cl\n0.706653 0.031641 0.031604 Cl\n0.031641 0.706653 0.031604 Cl\n0.293347 0.968359 0.968397 Cl\n0.031854 0.031854 0.706831 Cl\n0.314767 0.641605 0.314597 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.692638259482217,
"density_atomic": 0.03771815573197773,
"volume": 583.2734812468108,
"volume_molar": 15.966159116561432,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4429702461363634,
"spacegroup": 166
},
{
"id": "jvasp-49180",
"created_at": "2022-09-04T14:36:40.195307Z",
"updated_at": "2022-09-04T14:36:40.195337Z",
"structure_string": "Ca4 Sb4 O14\n1.0\n6.350860 0.000000 3.666670\n2.116953 5.987648 3.666670\n0.000000 0.000000 7.333341\nCa Sb O\n4 4 14\ndirect\n0.500000 -0.000000 0.500000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n-0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.360396 0.889604 0.360397 O\n0.889604 0.360397 0.889604 O\n0.889604 0.360397 0.360397 O\n0.125000 0.125000 0.125000 O\n0.639604 0.110396 0.110396 O\n0.110396 0.639604 0.110396 O\n0.110396 0.110396 0.639604 O\n0.639604 0.639604 0.110396 O\n0.639604 0.110396 0.639604 O\n0.360396 0.889604 0.889604 O\n0.110396 0.639604 0.639604 O\n0.875000 0.875000 0.875000 O\n0.889604 0.889604 0.360397 O\n0.360397 0.360397 0.889604 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 5.188572178327192,
"density_atomic": 0.07889182456453377,
"volume": 278.86286217152866,
"volume_molar": 7.633415494242841,
"formula_full": "Ca4 Sb4 O14",
"formula_reduced": "Ca2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.942807049090909,
"spacegroup": 227
},
{
"id": "jvasp-103786",
"created_at": "2022-09-04T14:37:03.333687Z",
"updated_at": "2022-09-04T14:37:03.333699Z",
"structure_string": "H8 C12 S2\n1.0\n3.953421 0.005556 0.598814\n0.139636 6.237265 0.388710\n-0.077077 0.020574 9.806654\nH C S\n8 12 2\ndirect\n0.317535 0.269624 0.150915 H\n0.688483 0.812180 0.030319 H\n0.241647 0.671392 0.605041 H\n0.159346 0.862554 0.836453 H\n0.254072 0.799966 0.083091 H\n0.831403 0.673626 0.484442 H\n0.778039 0.839313 0.256632 H\n0.385078 0.098472 0.380877 H\n0.476852 0.259593 0.351936 C\n0.440588 0.356642 0.222249 C\n0.609190 0.373260 0.450276 C\n0.544673 0.567320 0.186156 C\n0.720604 0.582340 0.412289 C\n0.691603 0.675787 0.282433 C\n0.439953 0.596922 0.925586 C\n0.481408 0.697233 0.056678 C\n0.523876 0.415509 0.702959 C\n0.336452 0.606860 0.697884 C\n0.289275 0.707938 0.822956 C\n0.638345 0.280995 0.591577 C\n0.628520 0.359066 0.869381 S\n0.817648 0.041679 0.618071 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.4839264672611578,
"density_atomic": 0.09088358196032009,
"volume": 242.06792388096272,
"volume_molar": 6.626214141327832,
"formula_full": "H8 C12 S2",
"formula_reduced": "H4C6S",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.329367272727273,
"spacegroup": 1
},
{
"id": "jvasp-44474",
"created_at": "2022-09-04T14:36:56.333353Z",
"updated_at": "2022-09-04T14:36:56.333371Z",
"structure_string": "Li4 Ni4 Bi2 O12\n1.0\n5.345840 0.038443 0.000000\n2.692600 4.679543 0.000000\n0.000000 0.000000 9.961409\nLi Ni Bi O\n4 4 2 12\ndirect\n0.500000 0.151127 0.750000 Li\n0.500000 0.348872 0.250000 Li\n0.500000 0.651127 0.750000 Li\n0.500000 0.848872 0.250000 Li\n0.328074 0.335963 0.000000 Ni\n0.328074 0.835963 0.500000 Ni\n0.671927 0.164036 0.500000 Ni\n0.671927 0.664036 0.000000 Ni\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.623747 0.344230 0.888799 O\n0.623746 0.032024 0.111201 O\n0.376254 0.655769 0.111201 O\n0.376254 0.467975 0.611201 O\n0.376254 0.155769 0.388799 O\n0.000000 0.136038 0.599969 O\n0.376254 0.967975 0.888799 O\n0.000000 0.636038 0.900031 O\n0.000000 0.363961 0.099969 O\n0.623747 0.532023 0.388799 O\n0.000000 0.863961 0.400031 O\n0.623747 0.844230 0.611201 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Bi",
"O"
],
"chemical_system": "Bi-Li-Ni-O",
"density": 5.838089317929019,
"density_atomic": 0.08865092328630433,
"volume": 248.164364052357,
"volume_molar": 6.793094236087172,
"formula_full": "Li4 Ni4 Bi2 O12",
"formula_reduced": "Li2Ni2BiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.9552745545454544,
"spacegroup": 64
},
{
"id": "jvasp-14282",
"created_at": "2022-09-04T14:36:56.138314Z",
"updated_at": "2022-09-04T14:36:56.138325Z",
"structure_string": "Sn6 F16\n1.0\n0.000000 5.162632 -0.038388\n5.358932 0.000000 0.000000\n0.000000 -4.977041 -12.461123\nSn F\n6 16\ndirect\n0.350924 0.450586 0.833806 Sn\n0.649075 0.950586 0.666194 Sn\n0.649075 0.549414 0.166194 Sn\n0.350924 0.049414 0.333806 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.781532 0.317409 0.948685 F\n0.218467 0.817408 0.551315 F\n0.218467 0.682591 0.051315 F\n0.781532 0.182591 0.448685 F\n-0.012617 0.460934 0.647416 F\n0.012617 0.960934 0.852584 F\n0.012617 0.539066 0.352584 F\n0.352651 0.305824 0.539898 F\n0.647349 0.805824 0.960102 F\n0.352651 0.194176 0.039898 F\n0.413931 0.393836 0.254363 F\n0.586068 0.893836 0.245637 F\n0.586068 0.606163 0.745636 F\n0.413931 0.106163 0.754363 F\n-0.012617 0.039066 0.147416 F\n0.647349 0.694175 0.460102 F\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Sn",
"F"
],
"chemical_system": "F-Sn",
"density": 4.880322521200326,
"density_atomic": 0.06362505830726417,
"volume": 345.77571455817787,
"volume_molar": 9.4650455657224,
"formula_full": "Sn6 F16",
"formula_reduced": "Sn3F8",
"formula_anonymous": "A3B8",
"energy_above_hull": 0.4414163636363636,
"spacegroup": 14
},
{
"id": "jvasp-43150",
"created_at": "2022-09-04T14:36:40.968230Z",
"updated_at": "2022-09-04T14:36:40.968250Z",
"structure_string": "Li4 Cr4 Fe2 O12\n1.0\n4.963798 0.034409 0.000000\n-2.464739 4.308774 -0.000000\n-0.000000 0.000000 9.954226\nLi Cr Fe O\n4 4 2 12\ndirect\n0.148486 0.648486 0.750000 Li\n0.351514 0.851513 0.250000 Li\n0.648486 0.148486 0.750000 Li\n0.851514 0.351514 0.250000 Li\n0.161365 0.838633 0.500000 Cr\n0.338634 0.661365 0.000000 Cr\n0.661366 0.338634 0.000000 Cr\n0.838634 0.161366 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.506294 0.168491 0.394146 O\n0.823215 0.823215 0.397888 O\n0.331509 0.993706 0.894147 O\n0.676784 0.676784 0.897888 O\n0.323216 0.323215 0.102112 O\n0.006293 0.668490 0.105854 O\n0.493706 0.831509 0.605854 O\n0.168490 0.506293 0.394146 O\n0.993707 0.331509 0.894147 O\n0.831509 0.493706 0.605854 O\n0.176784 0.176784 0.602112 O\n0.668491 0.006294 0.105854 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.190744158665457,
"density_atomic": 0.1029268471808374,
"volume": 213.74403863111715,
"volume_molar": 5.850894032943024,
"formula_full": "Li4 Cr4 Fe2 O12",
"formula_reduced": "Li2Cr2FeO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.9986655727272726,
"spacegroup": 64
},
{
"id": "jvasp-103948",
"created_at": "2022-09-04T14:36:55.987947Z",
"updated_at": "2022-09-04T14:36:55.987965Z",
"structure_string": "Zr1 H10 C7 O4\n1.0\n4.535444 0.119088 -0.354564\n1.704864 4.663976 0.107826\n-1.068404 0.242907 9.141648\nZr H C O\n1 10 7 4\ndirect\n0.673062 0.168122 0.808054 Zr\n-0.289670 0.911592 0.338139 H\n0.169803 0.766454 0.525147 H\n0.241710 0.395157 0.504729 H\n0.619579 0.561385 0.164726 H\n0.553182 0.689248 0.419876 H\n0.088161 0.684332 0.149987 H\n0.326020 0.429603 0.298339 H\n0.333228 0.789375 0.857142 H\n0.523925 0.170173 0.114171 H\n0.860286 0.265006 0.298699 H\n-0.028789 0.574523 0.667012 C\n0.054634 0.605841 0.516331 C\n0.127102 0.121593 -0.012382 C\n0.768379 0.687955 0.382509 C\n0.829929 0.484487 0.257067 C\n0.128891 0.467836 0.201467 C\n0.259846 0.242653 0.098666 C\n0.877773 0.340123 0.678381 O\n0.261304 0.523546 0.780047 O\n0.729247 0.826910 0.694193 O\n0.384075 0.948365 0.912190 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.1855277143519136,
"density_atomic": 0.11611154958263659,
"volume": 189.4729687018999,
"volume_molar": 5.186513126081436,
"formula_full": "Zr1 H10 C7 O4",
"formula_reduced": "ZrH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.704912204545455,
"spacegroup": 1
}
]
}