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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4034",
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"results": [
{
"id": "jvasp-117124",
"created_at": "2022-09-04T14:38:48.066486Z",
"updated_at": "2022-09-04T14:38:48.066514Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.842634 -0.004521 0.019026\n-1.404443 6.064942 -1.180153\n-0.064321 0.010154 9.558238\nLi Mn Co O\n6 2 2 10\ndirect\n0.098079 0.196061 0.304047 Li\n0.909015 0.817604 0.701566 Li\n0.508251 0.016197 0.513670 Li\n0.286954 0.573471 0.891061 Li\n0.699849 0.399844 0.091305 Li\n0.599368 0.198470 0.793240 Li\n0.003101 0.006455 0.995533 Mn\n0.801682 0.603487 0.400945 Mn\n0.199000 0.397610 0.605695 Co\n0.398251 0.796979 0.199120 Co\n0.858534 0.717617 0.064239 O\n0.538605 0.077482 0.140938 O\n0.342277 0.684389 0.536385 O\n0.939691 0.879914 0.336113 O\n0.747538 0.494660 0.731898 O\n0.139964 0.280086 0.958296 O\n0.662499 0.324646 0.459467 O\n0.451259 0.902794 0.868995 O\n0.058214 0.116106 0.645007 O\n0.257867 0.516119 0.262486 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
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"density": 4.327331964393376,
"density_atomic": 0.12138269923742546,
"volume": 164.7681269707131,
"volume_molar": 4.961284266895933,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.404603564137931,
"spacegroup": 8
},
{
"id": "jvasp-105495",
"created_at": "2022-09-04T14:38:44.558034Z",
"updated_at": "2022-09-04T14:38:44.558064Z",
"structure_string": "Hf1 Nb2 V1 C4\n1.0\n3.125264 -0.001451 9.956011\n1.524716 2.728097 9.956011\n-0.002474 -0.001451 10.435009\nHf Nb V C\n1 2 1 4\ndirect\n0.003133 0.003134 0.003133 Hf\n0.496872 0.496872 0.496871 Nb\n0.248821 0.248821 0.248820 Nb\n0.751578 0.751579 0.751576 V\n0.873097 0.873098 0.873095 C\n0.624904 0.624905 0.624903 C\n0.380147 0.380147 0.380146 C\n0.121450 0.121450 0.121449 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Hf",
"Nb",
"V",
"C"
],
"chemical_system": "C-Hf-Nb-V",
"density": 8.635878616235791,
"density_atomic": 0.08980432413755442,
"volume": 89.08257009702895,
"volume_molar": 6.705847204835939,
"formula_full": "Hf1 Nb2 V1 C4",
"formula_reduced": "HfNb2VC4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 6.467914499999999,
"spacegroup": 160
},
{
"id": "jvasp-112105",
"created_at": "2022-09-04T14:38:44.553347Z",
"updated_at": "2022-09-04T14:38:44.553375Z",
"structure_string": "Sn1 H14 C8 O6\n1.0\n5.232450 0.055293 -0.039729\n-0.380411 5.460621 -1.803360\n0.175931 -0.262598 9.186663\nSn H C O\n1 14 8 6\ndirect\n0.265714 0.332244 0.680772 Sn\n0.944842 0.310292 0.485309 H\n0.878873 0.377251 0.837346 H\n0.896820 0.424196 0.097039 H\n0.777715 0.859269 0.263559 H\n0.069357 0.767354 0.313820 H\n0.924192 0.809791 0.560749 H\n0.863653 0.335026 0.261271 H\n0.650863 0.074950 0.905932 H\n0.760940 0.928095 0.028768 H\n0.406959 0.065254 0.210104 H\n0.218208 0.120409 0.068128 H\n0.396275 0.498296 0.281947 H\n0.446947 0.501153 0.092306 H\n0.652506 0.615768 0.487035 H\n0.503770 0.412110 0.175112 C\n0.414203 0.137388 0.113421 C\n0.584656 0.977022 0.985011 C\n0.763444 0.777398 0.478375 C\n0.861146 0.729335 0.311646 C\n0.599848 0.993884 0.541532 C\n0.449787 0.746737 0.880615 C\n0.792802 0.462567 0.206830 C\n0.628157 0.191559 0.510101 O\n-0.007034 0.238663 0.806107 O\n0.130099 0.356797 0.487671 O\n0.580878 0.549127 0.815501 O\n0.215722 0.731309 0.844473 O\n0.416817 0.979319 0.636067 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.0733227784559958,
"density_atomic": 0.11144533247865093,
"volume": 260.2172684581061,
"volume_molar": 5.403672478749734,
"formula_full": "Sn1 H14 C8 O6",
"formula_reduced": "SnH14(C4O3)2",
"formula_anonymous": "AB6C8D14",
"energy_above_hull": 4.375528713793104,
"spacegroup": 1
},
{
"id": "jvasp-112166",
"created_at": "2022-09-04T14:38:43.380966Z",
"updated_at": "2022-09-04T14:38:43.380992Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.979400 0.039162 0.281456\n-0.843888 3.869634 -0.193331\n0.671732 -0.060153 7.762560\nCd H C O\n1 4 4 4\ndirect\n0.809636 0.265858 0.261407 Cd\n0.527550 0.081858 0.665318 H\n0.066680 -0.017719 0.709304 H\n0.552565 0.549323 0.813498 H\n0.091696 0.449865 0.857521 H\n0.282759 0.653794 0.516814 C\n0.301206 0.872191 0.684095 C\n0.318080 0.659483 0.838716 C\n0.336673 0.877881 0.005992 C\n0.522543 0.724611 0.387047 O\n0.027199 0.402465 0.511672 O\n0.592308 0.129160 0.011085 O\n0.096987 0.807100 0.135803 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.187686177182635,
"density_atomic": 0.10922338138020465,
"volume": 119.02213459906748,
"volume_molar": 5.513600370086543,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.929642596153847,
"spacegroup": 2
},
{
"id": "jvasp-111870",
"created_at": "2022-09-04T14:38:39.293741Z",
"updated_at": "2022-09-04T14:38:39.293766Z",
"structure_string": "Li2 V6 Zn4 O16\n1.0\n5.940839 -0.067864 -0.000010\n-0.071988 8.308967 0.000068\n-0.000009 0.000048 5.880486\nLi V Zn O\n2 6 4 16\ndirect\n0.250003 0.374998 0.997600 Li\n0.750002 0.874998 0.497593 Li\n0.249995 0.874995 0.505751 V\n0.495277 0.119648 0.742017 V\n0.004717 0.630355 0.742049 V\n0.749996 0.374996 0.005752 V\n0.995280 0.619646 0.242001 V\n0.504714 0.130356 0.242041 V\n0.493264 0.753056 0.008854 Zn\n0.993260 0.253052 0.508857 Zn\n0.006736 0.996961 0.008850 Zn\n0.506742 0.496965 0.508853 Zn\n0.483215 0.896063 0.272484 O\n0.983217 0.396060 0.772488 O\n0.511548 0.363167 0.233772 O\n0.011547 0.863165 0.733769 O\n0.284091 0.127038 0.996517 O\n0.784107 0.627033 0.496515 O\n0.516787 0.353938 0.772479 O\n0.265205 0.118331 0.494691 O\n0.488446 0.886837 0.733757 O\n0.988447 0.386835 0.233760 O\n0.734775 0.131669 0.994690 O\n0.234775 0.631667 0.494687 O\n0.215937 0.622957 0.996512 O\n0.765204 0.618331 0.994689 O\n0.016788 0.853934 0.272473 O\n0.715921 0.122962 0.496514 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Zn",
"O"
],
"chemical_system": "Li-O-V-Zn",
"density": 4.789510889010589,
"density_atomic": 0.0964701554503344,
"volume": 290.24520453286925,
"volume_molar": 6.242490987899746,
"formula_full": "Li2 V6 Zn4 O16",
"formula_reduced": "LiV3Zn2O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.4777879571428576,
"spacegroup": 5
},
{
"id": "jvasp-111672",
"created_at": "2022-09-04T14:38:37.909238Z",
"updated_at": "2022-09-04T14:38:37.909260Z",
"structure_string": "Pr4 Mg2 Ir2 O12\n1.0\n5.728567 0.000000 0.000000\n0.000000 4.519007 3.179031\n0.000000 -0.011216 9.640763\nPr Mg Ir O\n4 2 2 12\ndirect\n0.556799 0.235303 0.750618 Pr\n0.943202 0.235304 0.250618 Pr\n0.443202 0.764696 0.249381 Pr\n0.056798 0.764696 0.749381 Pr\n0.500000 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 -0.000000 Ir\n0.206941 0.253088 0.047764 O\n0.293059 0.253088 0.547764 O\n0.476187 0.659072 0.750960 O\n0.023813 0.659072 0.250960 O\n0.523813 0.340928 0.249040 O\n0.704353 0.156131 0.047469 O\n0.295648 0.843868 0.952531 O\n0.204353 0.843869 0.452531 O\n0.706941 0.746912 0.452236 O\n0.795648 0.156131 0.547469 O\n0.976188 0.340928 0.749040 O\n0.793059 0.746912 0.952236 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Pr",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ir-Mg-O-Pr",
"density": 7.902304134255049,
"density_atomic": 0.08007082189897614,
"volume": 249.77887731980104,
"volume_molar": 7.521017790473067,
"formula_full": "Pr4 Mg2 Ir2 O12",
"formula_reduced": "Pr2MgIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.319607085,
"spacegroup": 14
},
{
"id": "jvasp-110340",
"created_at": "2022-09-04T14:38:39.595759Z",
"updated_at": "2022-09-04T14:38:39.595787Z",
"structure_string": "K2 Li1 Co1 F6\n1.0\n4.820749 0.000000 2.783261\n1.606916 4.545045 2.783261\n0.000000 0.000000 5.566521\nK Li Co F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750001 0.749999 K\n0.500000 0.500001 0.499999 Li\n0.000000 0.000000 0.000000 Co\n0.762055 0.237945 0.237945 F\n0.237945 0.762056 0.762054 F\n0.237945 0.762056 0.237944 F\n0.762055 0.237945 0.762054 F\n0.237945 0.237945 0.762055 F\n0.762056 0.762056 0.237944 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Co",
"F"
],
"chemical_system": "Co-F-K-Li",
"density": 3.5134621125128964,
"density_atomic": 0.08199048225586303,
"volume": 121.96537603954529,
"volume_molar": 7.34492662356473,
"formula_full": "K2 Li1 Co1 F6",
"formula_reduced": "K2LiCoF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112026",
"created_at": "2022-09-04T14:38:43.370899Z",
"updated_at": "2022-09-04T14:38:43.370929Z",
"structure_string": "Ti1 H20 C11 O4\n1.0\n4.729766 -0.240666 1.099100\n0.080969 6.353156 1.544591\n-0.251441 -0.335518 10.077601\nTi H C O\n1 20 11 4\ndirect\n0.279233 0.299300 0.822441 Ti\n0.289633 0.357248 0.142082 H\n0.563342 0.221820 0.213009 H\n0.304927 0.893318 0.919762 H\n0.382095 0.518432 0.321775 H\n0.232117 0.711257 0.758859 H\n0.983982 0.643726 0.172403 H\n-0.091173 0.405985 0.293731 H\n0.918682 0.607601 0.724029 H\n0.024953 0.677889 0.412321 H\n0.491657 0.696088 0.163284 H\n0.254277 0.590732 0.611165 H\n0.882094 0.994916 0.264062 H\n0.528851 0.903822 0.307182 H\n-0.050377 0.955187 0.990325 H\n0.503392 0.920327 0.555040 H\n0.554291 0.163964 0.441359 H\n0.234759 0.022838 0.064073 H\n0.067479 0.165445 0.449355 H\n0.026144 0.917596 0.559456 H\n0.672028 0.592833 0.475840 H\n0.509026 0.369467 0.151219 C\n0.544194 0.547581 0.225712 C\n0.831624 0.564484 0.263747 C\n0.817934 0.679057 0.383588 C\n0.722080 0.904657 0.348568 C\n0.688190 0.385618 0.008278 C\n0.912691 0.060319 0.527878 C\n0.836371 0.160364 0.652750 C\n0.144084 0.587866 0.718770 C\n0.170550 0.007456 0.967888 C\n0.657342 0.015357 0.470978 C\n0.581250 0.219938 0.682369 O\n0.551854 0.397729 0.908164 O\n0.017660 0.179126 0.722552 O\n0.950740 0.378812 -0.010906 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.4273790094350032,
"density_atomic": 0.11715389364384046,
"volume": 307.2881223175014,
"volume_molar": 5.140367573533586,
"formula_full": "Ti1 H20 C11 O4",
"formula_reduced": "TiH20C11O4",
"formula_anonymous": "AB4C11D20",
"energy_above_hull": 4.707780064814815,
"spacegroup": 1
},
{
"id": "jvasp-112211",
"created_at": "2022-09-04T14:38:46.700872Z",
"updated_at": "2022-09-04T14:38:46.700897Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.728836 -0.107218 -0.418973\n-0.525296 5.550421 -0.194993\n0.122626 0.516385 14.882531\nH Pb C O\n20 1 12 4\ndirect\n0.634251 0.552160 0.381348 H\n0.972058 0.401201 0.496888 H\n0.404825 0.176948 0.927409 H\n0.032774 0.443463 0.059787 H\n0.460026 0.434618 0.762998 H\n0.922661 0.429693 0.797081 H\n0.611671 0.695755 0.621532 H\n0.066549 0.664437 0.655406 H\n0.781927 0.948450 0.486335 H\n0.230575 0.898841 0.517993 H\n0.959419 0.171944 0.350287 H\n0.390478 0.097562 0.381727 H\n0.374169 0.636064 0.906514 H\n0.844465 0.685319 0.936732 H\n0.556286 0.893218 0.769658 H\n0.016289 0.882672 0.803047 H\n0.758371 0.151235 0.635923 H\n0.213010 0.114559 0.667163 H\n0.207677 0.613339 0.334542 H\n0.420362 0.345253 0.526687 H\n0.770376 0.960303 0.106878 Pb\n0.824232 0.304511 0.028877 C\n0.609379 0.323988 0.953359 C\n0.627713 0.557682 0.901848 C\n0.695615 0.535398 0.802489 C\n0.780182 0.785932 0.762225 C\n0.853831 0.781093 0.663231 C\n0.217711 0.241611 0.388452 C\n0.031894 0.025431 0.527021 C\n0.164635 0.270427 0.488091 C\n0.384007 0.468334 0.342858 C\n0.471748 0.399088 0.251084 C\n0.966272 0.032154 0.626544 C\n0.229354 0.788060 0.068055 O\n0.797452 0.790426 0.243803 O\n0.362938 0.201468 0.213628 O\n0.703621 0.541828 0.206435 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.348186698576382,
"density_atomic": 0.12014681129525547,
"volume": 307.9565708079771,
"volume_molar": 5.012318425331202,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.675878238378379,
"spacegroup": 1
},
{
"id": "jvasp-117267",
"created_at": "2022-09-04T14:38:46.707863Z",
"updated_at": "2022-09-04T14:38:46.707899Z",
"structure_string": "Tm2 Mo2 Cl2 O8\n1.0\n6.017389 0.016401 1.525114\n1.749903 5.757350 1.525114\n0.006014 0.004470 6.786866\nTm Mo Cl O\n2 2 2 8\ndirect\n0.778221 0.778221 0.108790 Tm\n0.221778 0.221779 0.891210 Tm\n0.362585 0.362585 0.269764 Mo\n0.637414 0.637415 0.730236 Mo\n0.991120 0.991121 0.762584 Cl\n0.008879 0.008879 0.237416 Cl\n0.705006 0.705007 0.461232 O\n0.294993 0.294993 0.538767 O\n0.509009 0.893521 0.845490 O\n0.455652 0.455652 0.801317 O\n0.106479 0.490991 0.154509 O\n0.893520 0.509009 0.845490 O\n0.544348 0.544348 0.198683 O\n0.490991 0.106479 0.154509 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Tm",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Tm",
"density": 5.152036407527575,
"density_atomic": 0.05961274479289089,
"volume": 234.84910900579047,
"volume_molar": 10.10210279852467,
"formula_full": "Tm2 Mo2 Cl2 O8",
"formula_reduced": "TmMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.397371173928572,
"spacegroup": 12
},
{
"id": "jvasp-118987",
"created_at": "2022-09-04T14:38:47.449559Z",
"updated_at": "2022-09-04T14:38:47.449592Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n14.267422 -0.071523 1.523669\n14.000152 2.749578 1.523669\n0.047240 0.004475 5.723009\nLi Mn Co O\n8 2 4 14\ndirect\n0.428114 0.428118 0.786563 Li\n0.275349 0.275351 0.345750 Li\n0.150955 0.150959 0.936474 Li\n0.854437 0.854441 0.074786 Li\n0.713952 0.713957 0.644751 Li\n0.575504 0.575507 0.213976 Li\n0.001663 0.001664 0.498242 Li\n0.713550 0.713554 0.141592 Li\n0.000407 0.000407 -0.000790 Mn\n0.856506 0.856511 0.571420 Mn\n0.284071 0.284075 0.862038 Co\n0.144381 0.144383 0.425144 Co\n0.571637 0.571642 0.714255 Co\n0.428858 0.428861 0.286262 Co\n0.497699 0.497702 0.235357 O\n0.501432 0.501437 0.765207 O\n0.360818 0.360821 0.335939 O\n0.220049 0.220052 0.886629 O\n0.932084 0.932088 0.052647 O\n0.790186 0.790192 0.617939 O\n0.642496 0.642500 0.204268 O\n0.073999 0.074000 0.487903 O\n0.356182 0.356186 0.802554 O\n0.208216 0.208218 0.400440 O\n0.067524 0.067528 0.949635 O\n0.786081 0.786084 0.080199 O\n0.638148 0.638153 0.661507 O\n0.925651 0.925656 0.519323 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.512557448030564,
"density_atomic": 0.12172012773190342,
"volume": 230.0359071399583,
"volume_molar": 4.947530759468278,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 8
},
{
"id": "jvasp-117071",
"created_at": "2022-09-04T14:38:48.306735Z",
"updated_at": "2022-09-04T14:38:48.306768Z",
"structure_string": "Li2 Mn4 Ni2 O12\n1.0\n4.944299 0.006243 -0.400146\n-2.513527 4.257628 0.400535\n-0.180573 0.102841 10.060659\nLi Mn Ni O\n2 4 2 12\ndirect\n0.354182 0.854278 0.249992 Li\n0.645818 0.145722 0.750007 Li\n0.166355 0.834264 0.504826 Mn\n0.334264 0.666356 0.995180 Mn\n0.665735 0.333643 0.004819 Mn\n0.833644 0.165735 0.495173 Mn\n0.499999 0.500000 0.500000 Ni\n0.000002 -0.000000 0.000000 Ni\n0.179169 0.158243 0.597087 O\n0.658268 0.679208 0.902911 O\n0.980346 0.341727 0.901351 O\n0.019654 0.658273 0.098647 O\n0.820830 0.841756 0.402912 O\n0.653764 0.981315 0.103298 O\n0.841702 0.480311 0.598648 O\n0.346236 0.018685 0.896700 O\n0.341731 0.320791 0.097086 O\n0.518662 0.846196 0.603295 O\n0.481337 0.153803 0.396704 O\n0.158298 0.519688 0.401351 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.262603637978958,
"density_atomic": 0.09454640035421703,
"volume": 211.53634538248122,
"volume_molar": 6.3695082387463895,
"formula_full": "Li2 Mn4 Ni2 O12",
"formula_reduced": "LiMn2NiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.787915788275862,
"spacegroup": 15
}
]
}