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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4320",
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"results": [
{
"id": "jvasp-16103",
"created_at": "2022-09-04T14:36:33.714777Z",
"updated_at": "2022-09-04T14:36:33.714802Z",
"structure_string": "Nd2 Co2 C4\n1.0\n3.757303 -0.005923 0.568387\n-0.083011 3.756390 0.568387\n-0.030564 -0.031197 7.417844\nNd Co C\n2 2 4\ndirect\n0.922473 0.070565 0.450860 Nd\n0.070566 0.922472 0.950859 Nd\n0.482615 0.626193 0.258279 Co\n0.626194 0.482614 0.758278 Co\n0.555047 0.402345 0.025927 C\n0.402345 0.555047 0.525926 C\n0.146228 0.506535 0.677936 C\n0.506536 0.146227 0.177936 C\n",
"nsites": 8,
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"elements": [
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"density": 7.198105067880665,
"density_atomic": 0.07631804858523847,
"volume": 104.82448317667507,
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"formula_full": "Nd2 Co2 C4",
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{
"id": "jvasp-52835",
"created_at": "2022-09-04T14:36:33.972285Z",
"updated_at": "2022-09-04T14:36:33.972305Z",
"structure_string": "H8 C2 N10 Cl2\n1.0\n2.432705 5.453919 -0.169677\n-2.432705 5.453919 0.169677\n-0.271767 0.000000 9.588276\nH C N Cl\n8 2 10 2\ndirect\n0.323169 0.966435 0.054227 H\n0.033565 0.676831 0.554227 H\n0.522028 0.930014 0.910594 H\n0.069987 0.477972 0.410594 H\n0.819834 0.488159 0.803821 H\n0.511842 0.180166 0.303820 H\n0.754090 0.236516 0.820519 H\n0.763484 0.245910 0.320519 H\n0.517000 0.596883 0.940581 C\n0.403117 0.483000 0.440581 C\n0.576972 0.283318 0.350657 N\n0.716682 0.423029 0.850657 N\n0.140073 0.569010 0.465992 N\n0.430990 0.859928 0.965992 N\n0.210878 0.044530 0.623957 N\n0.403492 0.484073 0.007291 N\n0.338694 0.832505 0.566204 N\n0.167496 0.661306 0.066204 N\n0.515927 0.596508 0.507291 N\n0.955470 0.789122 0.123957 N\n0.834113 0.855109 0.746660 Cl\n0.144892 0.165887 0.246660 Cl\n",
"nsites": 22,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N",
"density": 1.5894601248783127,
"density_atomic": 0.08663900249377154,
"volume": 253.9272079174916,
"volume_molar": 6.950842676695094,
"formula_full": "H8 C2 N10 Cl2",
"formula_reduced": "H4CN5Cl",
"formula_anonymous": "ABC4D5",
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"spacegroup": 9
},
{
"id": "jvasp-99968",
"created_at": "2022-09-04T14:36:34.919133Z",
"updated_at": "2022-09-04T14:36:34.919168Z",
"structure_string": "Li2 Nb2 O4 F2\n1.0\n4.706328 -0.005399 2.435144\n1.831871 4.335182 2.435144\n0.011046 0.007315 5.609363\nLi Nb O F\n2 2 4 2\ndirect\n0.727462 0.331676 0.676402 Li\n0.331676 0.727461 0.176403 Li\n0.493266 0.997956 0.520095 Nb\n0.997957 0.493265 0.020096 Nb\n0.621644 0.700534 0.315164 O\n0.241989 0.358308 0.276329 O\n0.358309 0.241989 0.776329 O\n0.700535 0.621644 0.815163 O\n0.921644 0.061522 0.278004 F\n0.061522 0.921644 0.778004 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Nb",
"O",
"F"
],
"chemical_system": "F-Li-Nb-O",
"density": 4.381600562416791,
"density_atomic": 0.08746291974933754,
"volume": 114.33416616617971,
"volume_molar": 6.885364423299638,
"formula_full": "Li2 Nb2 O4 F2",
"formula_reduced": "LiNbO2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.7903473364999998,
"spacegroup": 9
},
{
"id": "jvasp-100066",
"created_at": "2022-09-04T14:36:37.118249Z",
"updated_at": "2022-09-04T14:36:37.118265Z",
"structure_string": "Mn4 O2 F4\n1.0\n4.919015 0.008555 -2.331718\n-3.151211 4.770998 -0.479504\n0.028564 -0.008199 5.443589\nMn O F\n4 2 4\ndirect\n0.217738 0.908565 0.565349 Mn\n0.701630 0.062728 0.337704 Mn\n0.343222 0.408570 0.190825 Mn\n0.725019 0.562724 0.861096 Mn\n0.519031 0.243894 0.482033 O\n0.761862 0.743898 0.224866 O\n0.199917 0.796375 0.924027 F\n0.872362 0.296392 0.096470 F\n0.169855 0.238423 0.749059 F\n0.489361 0.738424 0.568572 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.247229424394256,
"density_atomic": 0.07804068779301916,
"volume": 128.13828635803634,
"volume_molar": 7.716667971932827,
"formula_full": "Mn4 O2 F4",
"formula_reduced": "Mn2OF2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.869321709551724,
"spacegroup": 9
},
{
"id": "jvasp-52841",
"created_at": "2022-09-04T14:36:37.125411Z",
"updated_at": "2022-09-04T14:36:37.125438Z",
"structure_string": "Na2 H6 S2 O10\n1.0\n3.369743 3.873931 -1.947130\n-3.369743 3.873931 1.947130\n-0.038891 0.000000 8.163178\nNa H S O\n2 6 2 10\ndirect\n0.948420 0.496464 0.491771 Na\n0.503535 0.051580 0.991771 Na\n0.303088 0.597284 0.780343 H\n0.402716 0.696912 0.280343 H\n0.495723 0.528869 0.695130 H\n0.471131 0.504277 0.195130 H\n0.822907 0.591537 0.002184 H\n0.408463 0.177093 0.502184 H\n0.126038 0.137416 0.244790 S\n0.862583 0.873962 0.744790 S\n0.355005 0.462141 0.740768 O\n0.775365 0.687047 0.653099 O\n0.312953 0.224635 0.153099 O\n0.717991 0.141306 0.629014 O\n0.858693 0.282009 0.129013 O\n0.777750 0.789495 0.922039 O\n0.210505 0.222250 0.422039 O\n0.146967 0.870891 0.813862 O\n0.129109 0.853033 0.313862 O\n0.537858 0.644995 0.240768 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"H",
"S",
"O"
],
"chemical_system": "H-Na-O-S",
"density": 2.1575222675452213,
"density_atomic": 0.09409992642605199,
"volume": 212.54001740072468,
"volume_molar": 6.399729509600067,
"formula_full": "Na2 H6 S2 O10",
"formula_reduced": "NaH3SO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.37123365,
"spacegroup": 9
},
{
"id": "jvasp-8039",
"created_at": "2022-09-04T14:36:38.062456Z",
"updated_at": "2022-09-04T14:36:38.062471Z",
"structure_string": "B4 N4\n1.0\n3.031064 -0.000500 1.042532\n1.115823 4.186534 0.383787\n-0.023508 -0.000250 4.995881\nB N\n4 4\ndirect\n0.566125 0.999813 0.868531 B\n0.434656 0.499813 0.131471 B\n0.564532 0.508096 0.613511 B\n0.178043 0.008096 0.386490 B\n0.777724 0.159583 0.608946 N\n0.386669 0.659582 0.391055 N\n0.510721 0.678605 0.868598 N\n0.379321 0.178606 0.131402 N\n",
"nsites": 8,
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"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.595896649653724,
"density_atomic": 0.1259814973025664,
"volume": 63.501388468074914,
"volume_molar": 4.780178747627349,
"formula_full": "B4 N4",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.6069229166666665,
"spacegroup": 9
},
{
"id": "jvasp-11410",
"created_at": "2022-09-04T14:36:38.900404Z",
"updated_at": "2022-09-04T14:36:38.900423Z",
"structure_string": "Si2 Cu4 Se6\n1.0\n6.680735 0.033616 1.027574\n1.621920 5.639820 3.317338\n0.031786 0.010236 6.816364\nSi Cu Se\n2 4 6\ndirect\n0.524099 0.885418 0.169916 Si\n0.024100 0.055334 0.830083 Si\n0.502450 0.232623 0.510011 Cu\n0.002450 0.742634 0.489987 Cu\n0.500394 0.584932 0.826700 Cu\n0.000394 0.411633 0.173298 Cu\n0.122921 0.698100 0.829999 Se\n0.622920 0.528100 0.169999 Se\n0.627014 0.866888 0.484037 Se\n0.127014 0.350924 0.515962 Se\n0.144621 0.031003 0.157215 Se\n0.644621 0.188219 0.842784 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Cu",
"Se"
],
"chemical_system": "Cu-Se-Si",
"density": 5.0848392230428505,
"density_atomic": 0.04686294875682561,
"volume": 256.065832781216,
"volume_molar": 12.850537406959209,
"formula_full": "Si2 Cu4 Se6",
"formula_reduced": "Cu2SiSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.148274933333333,
"spacegroup": 9
},
{
"id": "jvasp-103803",
"created_at": "2022-09-04T14:36:45.285011Z",
"updated_at": "2022-09-04T14:36:45.285026Z",
"structure_string": "H4 C4 S2\n1.0\n4.290693 -0.023214 -1.659103\n-0.533976 4.589687 0.018997\n-0.039748 0.173930 6.160690\nH C S\n4 4 2\ndirect\n0.278387 0.947913 0.456259 H\n0.343951 0.449566 0.589504 H\n0.905154 0.028628 0.264551 H\n0.160012 0.534739 0.781555 H\n0.026472 0.926957 0.433292 C\n0.901066 0.610658 0.426963 C\n0.995622 0.113030 0.618865 C\n0.114793 0.429170 0.612673 C\n0.560738 0.485186 0.234728 S\n0.843449 -0.007950 0.810389 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"H",
"C",
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],
"chemical_system": "C-H-S",
"density": 1.5936361768695047,
"density_atomic": 0.08258799293808235,
"volume": 121.08297640187448,
"volume_molar": 7.291787275318464,
"formula_full": "H4 C4 S2",
"formula_reduced": "H2C2S",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.096326,
"spacegroup": 9
},
{
"id": "jvasp-101746",
"created_at": "2022-09-04T14:36:47.847255Z",
"updated_at": "2022-09-04T14:36:47.847277Z",
"structure_string": "Al4 S6\n1.0\n5.750717 -0.019490 2.942021\n2.164748 5.327757 2.942021\n-0.018173 -0.012187 7.045057\nAl S\n4 6\ndirect\n0.181227 0.987536 0.496897 Al\n0.810446 0.673300 0.509679 Al\n0.987537 0.181226 0.996897 Al\n0.673300 0.810445 0.009678 Al\n0.297571 0.127774 0.113177 S\n0.964586 0.793586 0.124331 S\n0.627380 0.453573 0.130871 S\n0.127775 0.297571 0.613177 S\n0.793586 0.964586 0.624331 S\n0.453573 0.627380 0.630872 S\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Al-S",
"density": 2.3027525277574528,
"density_atomic": 0.04617633670123176,
"volume": 216.56113746531238,
"volume_molar": 13.04161652961821,
"formula_full": "Al4 S6",
"formula_reduced": "Al2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6844191200000005,
"spacegroup": 9
},
{
"id": "jvasp-101813",
"created_at": "2022-09-04T14:36:49.536981Z",
"updated_at": "2022-09-04T14:36:49.537014Z",
"structure_string": "H8 C6 O4\n1.0\n4.935872 0.052383 0.172686\n0.401289 4.420484 1.821953\n0.023416 -0.154886 6.684113\nH C O\n8 6 4\ndirect\n0.958062 0.269293 0.266393 H\n0.528170 0.951294 0.234492 H\n0.286984 0.094128 0.022937 H\n0.201406 0.108150 0.477849 H\n0.701406 0.601548 0.490944 H\n0.786954 0.132961 0.945870 H\n0.028155 0.201488 0.734333 H\n0.458050 0.551389 0.702385 H\n0.676346 0.530741 0.665920 C\n0.818746 0.738517 0.740572 C\n0.810496 0.214158 0.771294 C\n0.310513 0.000901 0.197516 C\n0.318755 0.494569 0.228231 C\n0.176356 0.212195 0.302871 C\n0.539534 0.518257 0.136755 O\n0.181025 0.721035 0.278207 O\n0.681002 0.014923 0.690610 O\n0.039533 0.670782 0.832044 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "C-H-O",
"density": 1.6273323865009715,
"density_atomic": 0.1223937921300994,
"volume": 147.06628242114408,
"volume_molar": 4.920299187722462,
"formula_full": "H8 C6 O4",
"formula_reduced": "H4C3O2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 9
},
{
"id": "jvasp-106894",
"created_at": "2022-09-04T14:36:50.799668Z",
"updated_at": "2022-09-04T14:36:50.799690Z",
"structure_string": "Li2 Mn2 O2 F4\n1.0\n4.465087 0.002292 2.773792\n-1.736278 4.567130 -2.189567\n-0.022353 0.029637 5.016583\nLi Mn O F\n2 2 2 4\ndirect\n0.410646 0.342065 0.446314 Li\n0.981141 0.842001 0.946264 Li\n0.733533 0.212785 0.734703 Mn\n0.240598 0.712795 0.234710 Mn\n0.362994 0.998143 0.025049 O\n0.106144 0.498163 0.525076 O\n0.002472 0.014050 0.662332 F\n0.632268 0.960287 0.326487 F\n0.497614 0.460326 0.826507 F\n0.845283 0.514030 0.162360 F\n",
"nsites": 10,
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"elements": [
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"O",
"F"
],
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"density": 3.745253246670272,
"density_atomic": 0.09732208546945044,
"volume": 102.75160002750883,
"volume_molar": 6.187845986808782,
"formula_full": "Li2 Mn2 O2 F4",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.006466261275862,
"spacegroup": 9
},
{
"id": "jvasp-103940",
"created_at": "2022-09-04T14:36:51.748268Z",
"updated_at": "2022-09-04T14:36:51.748278Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.430871 0.003373 -1.560805\n-0.597716 5.623625 -1.682741\n-0.032265 -0.019033 6.977235\nMg H C O\n2 4 6 8\ndirect\n0.522574 0.482781 0.185362 Mg\n0.030327 0.982790 0.185360 Mg\n0.847332 0.511885 0.715282 H\n0.937631 0.812336 0.694732 H\n0.124640 0.312323 0.694720 H\n0.235547 0.011894 0.715283 H\n0.171621 0.826060 0.698703 C\n0.894630 0.326050 0.698702 C\n0.400785 0.789520 0.896471 C\n0.183348 0.699819 0.479697 C\n0.663879 0.199817 0.479698 C\n0.863226 0.289518 0.896478 C\n0.406677 0.110598 0.454532 O\n0.743969 0.213605 0.321745 O\n0.415356 0.610591 0.454527 O\n0.610955 0.319531 0.920292 O\n0.676872 0.819533 0.920272 O\n0.097308 0.243844 0.038475 O\n0.308700 0.743837 0.038478 O\n0.945315 0.713605 0.321745 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.4195775284073955,
"density_atomic": 0.11532227601042808,
"volume": 173.42703154932087,
"volume_molar": 5.2220099778948565,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.710164305,
"spacegroup": 9
}
]
}