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=-nelements&page=109",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=107",
"results": [
{
"id": "jvasp-112009",
"created_at": "2022-09-04T14:38:41.679503Z",
"updated_at": "2022-09-04T14:38:41.679539Z",
"structure_string": "Sn1 H12 C7 O6\n1.0\n4.458250 -0.205343 -0.791939\n-2.154830 5.626038 -1.003487\n-0.229940 0.428830 9.342442\nSn H C O\n1 12 7 6\ndirect\n0.229003 0.663066 0.392361 Sn\n0.667091 0.074521 0.407305 H\n0.841381 0.008568 0.803207 H\n0.775079 0.302707 0.241134 H\n0.557830 0.388184 0.857390 H\n0.410860 0.149525 0.700624 H\n0.024127 0.257574 0.954054 H\n0.105878 0.547047 0.793734 H\n0.795094 0.729044 0.987951 H\n0.996810 0.987245 0.128089 H\n0.517140 0.114845 0.046797 H\n0.337112 0.865932 0.899561 H\n0.961620 0.305013 0.644540 H\n0.575025 0.992082 0.971879 C\n0.752013 0.861308 0.061981 C\n0.880989 0.422584 0.710924 C\n0.632002 0.272780 0.785562 C\n0.777739 0.565452 0.605440 C\n0.584073 0.736261 0.170269 C\n0.786366 0.132535 0.878715 C\n0.000771 0.721737 0.562556 O\n0.492102 0.008868 0.457494 O\n0.956333 0.309993 0.321150 O\n0.732972 0.668949 0.277046 O\n0.285795 0.704544 0.162077 O\n0.476256 0.530279 0.563851 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.2272640235650547,
"density_atomic": 0.11217806567156847,
"volume": 231.7743655530842,
"volume_molar": 5.368376361232186,
"formula_full": "Sn1 H12 C7 O6",
"formula_reduced": "SnH12C7O6",
"formula_anonymous": "AB6C7D12",
"energy_above_hull": 4.30821895,
"spacegroup": 1
},
{
"id": "jvasp-112086",
"created_at": "2022-09-04T14:38:42.760343Z",
"updated_at": "2022-09-04T14:38:42.760373Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.881351 -0.259415 -0.341115\n-1.454358 4.502232 -0.145239\n-0.389294 0.039697 8.247701\nZn H C O\n1 6 5 4\ndirect\n0.009482 0.764176 0.244531 Zn\n-0.001038 0.383227 0.630458 H\n0.548627 0.369099 0.553514 H\n0.704502 0.930158 0.799726 H\n0.908149 0.470684 0.919117 H\n0.260954 0.933952 0.723824 H\n0.470527 0.474993 0.846657 H\n0.667786 0.007738 0.462119 C\n0.706417 0.229214 0.602669 C\n0.556702 0.078675 0.755052 C\n0.613618 0.321297 0.889958 C\n0.472937 0.212133 0.048545 C\n0.923812 0.081203 0.372563 O\n0.379505 0.760364 0.435793 O\n0.243916 0.937544 0.049361 O\n0.569325 0.397049 0.174787 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.3115804289154758,
"density_atomic": 0.11392418715126758,
"volume": 140.44427614616495,
"volume_molar": 5.286094999303224,
"formula_full": "Zn1 H6 C5 O4",
"formula_reduced": "ZnH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.145447149999999,
"spacegroup": 1
},
{
"id": "jvasp-24241",
"created_at": "2022-09-04T14:38:32.418633Z",
"updated_at": "2022-09-04T14:38:32.418650Z",
"structure_string": "K2 Li6 Pb2 O8\n1.0\n-5.945894 0.011567 -0.008287\n-0.178532 -5.976161 0.032738\n2.154909 1.967301 6.315576\nK Li Pb O\n2 6 2 8\ndirect\n0.510631 0.990885 0.250460 K\n0.489368 0.009115 0.749540 K\n0.051394 0.126934 0.906605 Li\n0.948605 0.873066 0.093395 Li\n0.681883 0.459196 0.153802 Li\n0.064498 0.165351 0.447043 Li\n0.935501 0.834649 0.552957 Li\n0.318116 0.540804 0.846199 Li\n0.241314 0.494525 0.295033 Pb\n0.758685 0.505475 0.704968 Pb\n0.359504 0.361582 0.566709 O\n0.879754 0.168000 0.633405 O\n0.120245 0.832000 0.366595 O\n0.656097 0.673791 0.973183 O\n0.343902 0.326209 0.026818 O\n0.065461 0.769228 0.835324 O\n0.934538 0.230772 0.164676 O\n0.640495 0.638418 0.433292 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Li",
"Pb",
"O"
],
"chemical_system": "K-Li-O-Pb",
"density": 4.893775042350554,
"density_atomic": 0.08010385981197415,
"volume": 224.7082730126983,
"volume_molar": 7.51791583343877,
"formula_full": "K2 Li6 Pb2 O8",
"formula_reduced": "KLi3PbO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.2604636466666663,
"spacegroup": 2
},
{
"id": "jvasp-26327",
"created_at": "2022-09-04T14:38:31.003695Z",
"updated_at": "2022-09-04T14:38:31.003718Z",
"structure_string": "Tm1 Bi2 Cl1 O4\n1.0\n3.862416 -0.000000 0.000000\n-0.000000 3.862416 0.000000\n-0.000000 -0.000000 8.937726\nTm Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.278952 Bi\n0.500001 0.500001 0.721048 Bi\n0.000000 0.000000 0.500000 Cl\n0.500001 0.000000 0.849470 O\n0.000000 0.500001 0.849470 O\n0.500001 0.000000 0.150531 O\n0.000000 0.500001 0.150531 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tm",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Tm",
"density": 8.547651876041671,
"density_atomic": 0.05999911651832637,
"volume": 133.3352966548507,
"volume_molar": 10.03704905914835,
"formula_full": "Tm1 Bi2 Cl1 O4",
"formula_reduced": "TmBi2ClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.5970951146875003,
"spacegroup": 123
},
{
"id": "jvasp-54943",
"created_at": "2022-09-04T14:38:32.486440Z",
"updated_at": "2022-09-04T14:38:32.486456Z",
"structure_string": "Pr6 Cu2 Ge2 Se14\n1.0\n5.338457 -9.246478 0.000000\n5.338457 9.246478 0.000000\n0.000000 0.000000 6.152957\nPr Cu Ge Se\n6 2 2 14\ndirect\n0.774889 0.130909 0.748438 Pr\n0.356020 0.225111 0.748438 Pr\n0.869091 0.643980 0.748438 Pr\n0.130909 0.356020 0.248437 Pr\n0.643980 0.774889 0.248437 Pr\n0.225111 0.869091 0.248437 Pr\n0.000000 0.000000 0.219830 Cu\n0.000000 0.000000 0.719830 Cu\n0.333333 0.666667 0.830957 Ge\n0.666667 0.333333 0.330957 Ge\n0.743002 0.837978 0.730801 Se\n0.481261 0.902495 0.989027 Se\n0.905025 0.743002 0.230801 Se\n0.902495 0.421235 0.489027 Se\n0.518740 0.097506 0.489027 Se\n0.097506 0.578765 0.989027 Se\n0.094976 0.256998 0.730801 Se\n0.162023 0.905025 0.730801 Se\n0.666667 0.333333 0.948219 Se\n0.421235 0.518740 0.989027 Se\n0.837978 0.094976 0.230801 Se\n0.256998 0.162023 0.230801 Se\n0.333333 0.666667 0.448218 Se\n0.578765 0.481261 0.489027 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Pr",
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Ge-Pr-Se",
"density": 6.077612076141979,
"density_atomic": 0.039509840494727416,
"volume": 607.4436064403449,
"volume_molar": 15.242128757274164,
"formula_full": "Pr6 Cu2 Ge2 Se14",
"formula_reduced": "Pr3CuGeSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.430034126388889,
"spacegroup": 173
},
{
"id": "jvasp-44582",
"created_at": "2022-09-04T14:38:31.481562Z",
"updated_at": "2022-09-04T14:38:31.481584Z",
"structure_string": "Li4 Fe6 Sn2 O16\n1.0\n5.709572 -0.000086 -0.000378\n-2.854860 4.944764 0.000756\n0.000602 -0.001044 9.629979\nLi Fe Sn O\n4 6 2 16\ndirect\n0.333313 0.666681 0.894419 Li\n0.000082 0.000042 0.994211 Li\n0.999917 -0.000039 0.494211 Li\n0.666686 0.333368 0.394419 Li\n0.826860 0.653821 0.714498 Fe\n0.346101 0.173063 0.714504 Fe\n0.826858 0.173058 0.714502 Fe\n0.173141 0.346198 0.214502 Fe\n0.173138 0.826960 0.214498 Fe\n0.653898 0.826960 0.214504 Fe\n0.333292 0.666660 0.493953 Sn\n0.666707 0.333369 0.993953 Sn\n0.312656 0.156342 0.105472 O\n0.843752 0.687441 0.105451 O\n0.666606 0.333321 0.604045 O\n0.514773 0.029645 0.833606 O\n0.514762 0.485152 0.833598 O\n0.687343 0.843685 0.605472 O\n0.485226 0.514871 0.333606 O\n0.029663 0.514838 0.333583 O\n0.156223 0.312561 0.605445 O\n0.999931 -0.000035 0.806633 O\n0.000068 0.000032 0.306633 O\n0.333393 0.666714 0.104045 O\n0.970336 0.485173 0.833582 O\n0.156246 0.843687 0.605451 O\n0.485237 0.970389 0.333599 O\n0.843776 0.156338 0.105445 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-Li-O-Sn",
"density": 5.229692437639002,
"density_atomic": 0.1029881692717512,
"volume": 271.8758882500125,
"volume_molar": 5.847410243898591,
"formula_full": "Li4 Fe6 Sn2 O16",
"formula_reduced": "Li2Fe3SnO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.648470442857143,
"spacegroup": 186
},
{
"id": "jvasp-119365",
"created_at": "2022-09-04T14:38:31.487438Z",
"updated_at": "2022-09-04T14:38:31.487470Z",
"structure_string": "Li2 Mn3 Fe1 O8\n1.0\n4.957417 -0.003439 2.829592\n1.641393 4.677801 2.829592\n-0.004855 -0.003439 5.708112\nLi Mn Fe O\n2 3 1 8\ndirect\n0.123708 0.123707 0.123707 Li\n0.876294 0.876292 0.876291 Li\n0.500001 -0.000000 0.499999 Mn\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500001 0.500000 0.499999 Fe\n0.261444 0.261443 0.261443 O\n0.712252 0.261584 0.261584 O\n0.261585 0.261584 0.712251 O\n0.261585 0.712251 0.261584 O\n0.738417 0.287748 0.738415 O\n0.738416 0.738415 0.287748 O\n0.287749 0.738415 0.738415 O\n0.738557 0.738556 0.738556 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.543479647009242,
"density_atomic": 0.10566130861756638,
"volume": 132.49883219478198,
"volume_molar": 5.699475842947121,
"formula_full": "Li2 Mn3 Fe1 O8",
"formula_reduced": "Li2Mn3FeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1096110874384237,
"spacegroup": 166
},
{
"id": "jvasp-112014",
"created_at": "2022-09-04T14:38:42.708621Z",
"updated_at": "2022-09-04T14:38:42.708643Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.400509 0.021239 0.531141\n2.052486 4.374434 0.467124\n0.127107 0.108510 7.429993\nZn H C O\n1 6 5 4\ndirect\n0.024048 -0.001278 0.258615 Zn\n0.576095 0.283490 0.577711 H\n0.872132 0.262060 0.718364 H\n0.208417 0.820083 0.650335 H\n0.007398 0.730738 0.953392 H\n0.510631 0.833761 0.776406 H\n0.231820 0.350889 0.879423 H\n0.872753 0.522237 0.470165 C\n0.682623 0.422420 0.629134 C\n0.409647 0.680957 0.737163 C\n0.257012 0.555887 0.909217 C\n0.485491 0.471677 0.059647 C\n0.082780 0.325537 0.361162 O\n0.825267 0.802370 0.456284 O\n0.454192 0.671815 0.166970 O\n0.723003 0.199892 0.063968 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.2813921745471224,
"density_atomic": 0.11243638586284609,
"volume": 142.30268855775364,
"volume_molar": 5.356042631382712,
"formula_full": "Zn1 H6 C5 O4",
"formula_reduced": "ZnH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.144438399999999,
"spacegroup": 1
},
{
"id": "jvasp-113215",
"created_at": "2022-09-04T14:38:42.707974Z",
"updated_at": "2022-09-04T14:38:42.707996Z",
"structure_string": "Li4 Cr3 Ni1 O8\n1.0\n4.824914 -0.004284 -1.459685\n-0.877193 4.964589 -0.003473\n-0.009044 0.005256 5.833576\nLi Cr Ni O\n4 3 1 8\ndirect\n0.496462 0.747731 0.871233 Li\n0.503539 0.252271 0.128769 Li\n0.501733 0.742112 0.378578 Li\n0.498268 0.257890 0.621424 Li\n0.000000 0.500000 0.000000 Cr\n0.000481 -0.000313 0.253175 Cr\n-0.000480 0.000314 0.746826 Cr\n0.000001 0.500000 0.500001 Ni\n0.223917 0.869873 0.055571 O\n0.776084 0.130129 0.944431 O\n0.229764 0.365217 0.297191 O\n0.773253 0.635859 0.182447 O\n0.230463 0.888304 0.558607 O\n0.769538 0.111698 0.441395 O\n0.226748 0.364142 0.817555 O\n0.770237 0.634784 0.702811 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Ni-O",
"density": 4.404645902806147,
"density_atomic": 0.11456790061279952,
"volume": 139.65517317171194,
"volume_molar": 5.256394441888906,
"formula_full": "Li4 Cr3 Ni1 O8",
"formula_reduced": "Li4Cr3NiO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.7914714125,
"spacegroup": 2
},
{
"id": "jvasp-19151",
"created_at": "2022-09-04T14:38:35.535924Z",
"updated_at": "2022-09-04T14:38:35.535947Z",
"structure_string": "Y1 Cu3 Sb4 O12\n1.0\n6.453046 0.000003 -2.281628\n-3.226467 5.588550 -2.281474\n-0.000118 -0.000014 6.844553\nY Cu Sb O\n1 3 4 12\ndirect\n0.999997 0.999996 0.999995 Y\n0.499997 0.999997 0.500001 Cu\n0.500000 0.500000 0.999997 Cu\n0.000003 0.500004 0.500001 Cu\n0.500001 0.000002 0.000002 Sb\n1.000000 0.000000 0.499999 Sb\n0.000000 0.500000 -0.000000 Sb\n0.499999 0.499999 0.499999 Sb\n0.706456 0.539283 0.832819 O\n0.167183 0.293532 0.460710 O\n0.539241 0.832797 0.706426 O\n0.706459 0.873633 0.167175 O\n0.126375 0.832812 0.293572 O\n0.167181 0.706474 0.873649 O\n0.293547 0.460718 0.167179 O\n0.832817 0.706472 0.539293 O\n0.873623 0.167185 0.706429 O\n0.832821 0.293532 0.126353 O\n0.460759 0.167201 0.293578 O\n0.293541 0.126366 0.832823 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Y",
"Cu",
"Sb",
"O"
],
"chemical_system": "Cu-O-Sb-Y",
"density": 6.448668102399094,
"density_atomic": 0.08102593995084255,
"volume": 246.83453239954704,
"volume_molar": 7.432361492694264,
"formula_full": "Y1 Cu3 Sb4 O12",
"formula_reduced": "YCu3(SbO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.26774616,
"spacegroup": 204
},
{
"id": "jvasp-9485",
"created_at": "2022-09-04T14:38:32.517301Z",
"updated_at": "2022-09-04T14:38:32.517316Z",
"structure_string": "Ti2 Zn2 P2 O10\n1.0\n5.161547 -0.080706 -0.103230\n-0.886769 5.535033 0.022630\n-1.952249 -2.287592 6.510370\nTi Zn P O\n2 2 2 10\ndirect\n0.499530 0.000352 0.499952 Ti\n0.499532 0.000338 -0.000043 Ti\n0.218139 0.338697 0.716803 Zn\n0.780920 0.661973 0.283121 Zn\n0.820217 0.641788 0.759941 P\n0.178848 0.358911 0.239975 P\n0.574427 0.639236 0.848151 O\n0.759764 0.765456 0.588664 O\n0.424634 0.361445 0.151759 O\n0.239314 0.235259 0.411259 O\n0.170135 0.643712 0.341235 O\n0.897672 0.226237 0.067026 O\n0.828934 0.356989 0.658667 O\n0.101387 0.774457 0.932895 O\n0.621091 0.943984 0.263001 O\n0.377989 0.056697 0.736911 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ti",
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Ti-Zn",
"density": 4.037042596739417,
"density_atomic": 0.08673173628284458,
"volume": 184.4768787727449,
"volume_molar": 6.9434108183432866,
"formula_full": "Ti2 Zn2 P2 O10",
"formula_reduced": "TiZnPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2196339666666667,
"spacegroup": 2
},
{
"id": "jvasp-116630",
"created_at": "2022-09-04T14:38:32.519930Z",
"updated_at": "2022-09-04T14:38:32.519956Z",
"structure_string": "Y4 Ti2 Sn2 O14\n1.0\n6.318426 0.004425 -3.630959\n-2.100982 5.937990 -3.665042\n0.007079 -0.004425 7.287408\nY Ti Sn O\n4 2 2 14\ndirect\n0.000000 0.500000 0.500001 Y\n0.500000 0.500000 0.000000 Y\n0.500000 -0.000000 -0.000000 Y\n0.500001 0.500000 0.500001 Y\n0.500000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.091168 0.329195 0.171167 O\n0.681249 0.931248 0.750001 O\n0.658028 0.329195 0.738028 O\n0.658028 0.919999 0.328833 O\n0.904134 0.654132 0.250000 O\n0.908833 0.080000 0.238028 O\n0.341973 0.080001 0.671168 O\n0.318752 0.068752 0.250000 O\n0.341973 0.670805 0.261973 O\n0.091168 0.920000 0.761973 O\n0.376779 0.626778 0.750001 O\n0.623223 0.373222 0.250000 O\n0.908833 0.670805 0.828834 O\n0.095868 0.345868 0.750001 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Y",
"Ti",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ti-Y",
"density": 5.541853835463867,
"density_atomic": 0.08043920481095836,
"volume": 273.4984769143678,
"volume_molar": 7.486574207381516,
"formula_full": "Y4 Ti2 Sn2 O14",
"formula_reduced": "Y2TiSnO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.67217413030303,
"spacegroup": 74
}
]
}