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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4419",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4417",
"results": [
{
"id": "jvasp-117223",
"created_at": "2022-09-04T14:38:48.771121Z",
"updated_at": "2022-09-04T14:38:48.771148Z",
"structure_string": "Ca2 Ti2 Si1 Ge1 O10\n1.0\n5.364429 -0.013955 1.342773\n-1.916062 5.010589 1.342773\n-0.012341 -0.017882 7.120537\nCa Ti Si Ge O\n2 2 1 1 10\ndirect\n0.827799 0.172200 0.500000 Ca\n0.171805 0.828195 -0.000000 Ca\n0.499202 0.504029 0.746351 Ti\n0.495971 0.500798 0.253649 Ti\n0.179831 0.820170 0.500000 Si\n0.817018 0.182981 -0.000000 Ge\n0.386150 0.812565 0.633838 O\n0.187435 0.613851 0.366162 O\n0.597249 0.181173 0.856292 O\n0.818827 0.402750 0.143708 O\n0.755239 0.868326 0.177024 O\n0.131674 0.244761 0.822976 O\n0.250708 0.120864 0.340359 O\n0.879136 0.749292 0.659640 O\n0.431998 0.568002 -0.000000 O\n0.569964 0.430036 0.500000 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ca",
"Ti",
"Si",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O-Si-Ti",
"density": 3.7867243432595346,
"density_atomic": 0.08356826691973716,
"volume": 191.46023472482852,
"volume_molar": 7.206253021597233,
"formula_full": "Ca2 Ti2 Si1 Ge1 O10",
"formula_reduced": "Ca2Ti2SiGeO10",
"formula_anonymous": "ABC2D2E10",
"energy_above_hull": 2.525365441041666,
"spacegroup": 5
},
{
"id": "jvasp-117129",
"created_at": "2022-09-04T14:38:48.671322Z",
"updated_at": "2022-09-04T14:38:48.671348Z",
"structure_string": "Li1 Cr1 P2 S7\n1.0\n6.383617 0.089057 0.886153\n-0.894540 6.321257 0.886153\n0.056623 0.066126 6.260678\nLi Cr P S\n1 1 2 7\ndirect\n0.750280 0.249721 0.500000 Li\n0.516388 0.483613 -0.000001 Cr\n0.965044 0.627990 0.075642 P\n0.372011 0.034958 0.924357 P\n0.878241 0.506935 0.813110 S\n0.516267 0.822882 0.765681 S\n0.684376 0.603152 0.285804 S\n0.034620 0.965381 -0.000001 S\n0.396848 0.315625 0.714195 S\n0.177119 0.483733 0.234318 S\n0.493067 0.121760 0.186889 S\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"S"
],
"chemical_system": "Cr-Li-P-S",
"density": 2.2720474442056737,
"density_atomic": 0.04358274415636286,
"volume": 252.39346931746738,
"volume_molar": 13.817718173950269,
"formula_full": "Li1 Cr1 P2 S7",
"formula_reduced": "LiCrP2S7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.671490763636364,
"spacegroup": 5
},
{
"id": "jvasp-118382",
"created_at": "2022-09-04T14:38:48.394366Z",
"updated_at": "2022-09-04T14:38:48.394400Z",
"structure_string": "Ga1 P2\n1.0\n4.133032 -1.053150 0.765131\n2.869427 -4.741458 0.323855\n0.613271 -1.714110 -3.472800\nGa P\n1 2\ndirect\n0.846997 0.137255 0.609387 Ga\n0.514365 0.140237 0.146993 P\n0.639141 0.674576 0.612695 P\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"P"
],
"chemical_system": "Ga-P",
"density": 3.7627706346827607,
"density_atomic": 0.05162871779294715,
"volume": 58.1071955346879,
"volume_molar": 11.664323689291132,
"formula_full": "Ga1 P2",
"formula_reduced": "GaP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.649931108333334,
"spacegroup": 5
},
{
"id": "jvasp-113662",
"created_at": "2022-09-04T14:38:48.159002Z",
"updated_at": "2022-09-04T14:38:48.159026Z",
"structure_string": "Li1 Br2\n1.0\n4.219697 0.713139 -0.046354\n-1.140942 -5.632288 -0.052105\n0.322959 3.260294 -3.415423\nLi Br\n1 2\ndirect\n-0.012117 0.031606 0.027075 Li\n0.132932 0.885436 0.381237 Br\n0.618170 0.400422 0.396326 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Br"
],
"chemical_system": "Br-Li",
"density": 3.4967094471903812,
"density_atomic": 0.03788510245053227,
"volume": 79.18679918886828,
"volume_molar": 15.895801701640618,
"formula_full": "Li1 Br2",
"formula_reduced": "LiBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2341847016666666,
"spacegroup": 5
},
{
"id": "jvasp-113210",
"created_at": "2022-09-04T14:38:47.901357Z",
"updated_at": "2022-09-04T14:38:47.901390Z",
"structure_string": "Li1 Mn2 P2 O8\n1.0\n4.887867 -0.039003 0.124586\n-0.237601 4.882242 -0.124603\n0.042998 -0.041261 7.080957\nLi Mn P O\n1 2 2 8\ndirect\n0.493742 0.493741 0.000001 Li\n0.961384 0.961381 -0.000001 Mn\n0.549840 0.549842 0.500003 Mn\n0.479833 0.016245 0.250475 P\n0.016245 0.479832 0.749526 P\n0.562695 0.710760 0.239378 O\n0.638524 0.152633 0.076566 O\n0.147219 0.570644 0.561375 O\n0.171691 0.044797 0.222553 O\n0.044795 0.171687 0.777447 O\n0.570641 0.147219 0.438625 O\n0.152636 0.638523 0.923436 O\n0.710758 0.562697 0.760626 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.016572767896254,
"density_atomic": 0.07698561707802927,
"volume": 168.86271089863143,
"volume_molar": 7.8224231857441895,
"formula_full": "Li1 Mn2 P2 O8",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0910394986737404,
"spacegroup": 5
},
{
"id": "jvasp-117034",
"created_at": "2022-09-04T14:38:47.867978Z",
"updated_at": "2022-09-04T14:38:47.868003Z",
"structure_string": "Ca1 Co3 Si4 O12\n1.0\n5.082729 -0.031816 1.117593\n1.318214 6.479087 0.599072\n-0.049940 0.041874 6.638609\nCa Co Si O\n1 3 4 12\ndirect\n0.750002 0.700396 0.299605 Ca\n0.749998 0.092791 0.907207 Co\n0.250003 0.903204 0.096796 Co\n0.250001 0.242615 0.757388 Co\n0.741538 0.613653 0.795646 Si\n0.758458 0.204349 0.386347 Si\n0.266286 0.384404 0.201343 Si\n0.233712 0.798660 0.615595 Si\n0.006030 0.331444 0.380064 O\n0.493964 0.619940 0.668558 O\n0.329726 0.892672 0.387370 O\n0.170277 0.612628 0.107329 O\n0.632567 0.134373 0.621467 O\n0.852311 0.030041 0.215307 O\n0.143501 0.962079 0.799507 O\n0.356498 0.200493 0.037921 O\n0.521257 0.389635 0.311908 O\n0.647693 0.784685 0.969960 O\n0.867433 0.378534 0.865617 O\n0.978740 0.688097 0.610362 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Si",
"O"
],
"chemical_system": "Ca-Co-O-Si",
"density": 3.948524662550863,
"density_atomic": 0.0912433088881039,
"volume": 219.19415509719153,
"volume_molar": 6.600090278822794,
"formula_full": "Ca1 Co3 Si4 O12",
"formula_reduced": "CaCo3(SiO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.1004454759999995,
"spacegroup": 5
},
{
"id": "jvasp-116926",
"created_at": "2022-09-04T14:38:47.575827Z",
"updated_at": "2022-09-04T14:38:47.575857Z",
"structure_string": "Na6 N6 O9\n1.0\n6.060567 -0.010889 1.799734\n4.557541 3.994923 1.799734\n-0.324936 -0.121920 11.734741\nNa N O\n6 6 9\ndirect\n0.934151 0.723742 0.597427 Na\n0.657925 0.298603 0.781682 Na\n0.269098 0.047585 0.927433 Na\n0.952416 0.730901 0.072567 Na\n0.701397 0.342074 0.218317 Na\n0.276257 0.065849 0.402572 Na\n0.740204 0.259796 0.500000 N\n0.034762 0.634566 0.339301 N\n0.419269 0.961168 0.185069 N\n0.737447 0.262553 -0.000000 N\n0.365434 0.965237 0.660699 N\n0.038831 0.580731 0.814930 N\n0.523497 0.358441 0.588369 O\n0.280115 0.888095 0.758361 O\n0.123405 0.225652 0.601207 O\n0.440944 0.559056 -0.000000 O\n0.801901 0.808063 0.884504 O\n0.111905 0.719884 0.241638 O\n0.774349 0.876594 0.398793 O\n0.191936 0.198099 0.115495 O\n0.641559 0.476503 0.411630 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Na",
"N",
"O"
],
"chemical_system": "N-Na-O",
"density": 2.1147380493323564,
"density_atomic": 0.0730764156383476,
"volume": 287.37041652300246,
"volume_molar": 8.240881421720717,
"formula_full": "Na6 N6 O9",
"formula_reduced": "Na2N2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.5267335714285712,
"spacegroup": 5
},
{
"id": "jvasp-119340",
"created_at": "2022-09-04T14:38:47.316812Z",
"updated_at": "2022-09-04T14:38:47.316833Z",
"structure_string": "Li6 Mn2 O1 F11\n1.0\n4.793635 -0.018756 1.429154\n-2.699124 4.696473 0.357818\n0.020839 0.029325 8.685617\nLi Mn O F\n6 2 1 11\ndirect\n0.144891 0.341960 0.060050 Li\n0.363016 0.407451 0.689086 Li\n0.633111 0.604285 0.336971 Li\n0.866020 0.145173 0.412078 Li\n0.824564 0.617225 0.930250 Li\n0.637690 0.132251 0.818812 Li\n0.164231 0.897561 0.568607 Mn\n0.335513 0.851887 0.180454 Mn\n0.410587 0.874721 0.374535 O\n0.553305 0.113421 0.614010 F\n0.453602 0.374690 0.874548 F\n0.727998 0.195241 0.043501 F\n0.767575 0.724412 0.530383 F\n0.073734 0.024961 0.218710 F\n0.243533 0.268685 0.470271 F\n0.554114 0.636057 0.135034 F\n0.076386 0.554236 0.705579 F\n0.945273 0.480748 0.278802 F\n0.254541 0.782756 0.980720 F\n0.952662 0.966700 0.768336 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.209480827257829,
"density_atomic": 0.1026706178676897,
"volume": 194.7976978747098,
"volume_molar": 5.865495781627276,
"formula_full": "Li6 Mn2 O1 F11",
"formula_reduced": "Li6Mn2OF11",
"formula_anonymous": "AB2C6D11",
"energy_above_hull": 0.7061115545129306,
"spacegroup": 5
},
{
"id": "jvasp-119354",
"created_at": "2022-09-04T14:38:47.392677Z",
"updated_at": "2022-09-04T14:38:47.392705Z",
"structure_string": "Mn6 O4 F8\n1.0\n5.336534 -0.017237 1.955472\n1.522850 5.114667 1.955472\n-0.009860 -0.007328 7.723273\nMn O F\n6 4 8\ndirect\n0.669535 0.642647 0.842806 Mn\n0.309494 0.350070 0.670077 Mn\n0.649930 0.690506 0.329922 Mn\n0.357353 0.330464 0.157194 Mn\n0.018998 0.981002 0.500000 Mn\n0.013065 0.986935 -0.000000 Mn\n0.314870 0.685130 -0.000000 O\n0.709702 0.290298 -0.000000 O\n0.364093 0.987784 0.325001 O\n0.012216 0.635907 0.674999 O\n0.775800 0.768093 0.037062 F\n0.621180 0.034598 0.671791 F\n0.965400 0.378819 0.328209 F\n0.898632 0.899866 0.302385 F\n0.558227 0.570542 0.625153 F\n0.231906 0.224199 0.962937 F\n0.100133 0.101367 0.697614 F\n0.429458 0.441772 0.374846 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.290642898131739,
"density_atomic": 0.08524344496373457,
"volume": 211.15993150743503,
"volume_molar": 7.064637946720738,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.981284428237548,
"spacegroup": 5
},
{
"id": "jvasp-120587",
"created_at": "2022-09-04T14:38:46.903561Z",
"updated_at": "2022-09-04T14:38:46.903586Z",
"structure_string": "Li3 Fe5 Co2 O12\n1.0\n4.932034 0.014927 0.447827\n-2.605264 4.187813 0.447827\n-0.012315 -0.022245 9.514218\nLi Fe Co O\n3 5 2 12\ndirect\n0.673024 0.841862 0.744135 Li\n0.158139 0.326977 0.255866 Li\n0.076750 0.923250 0.500000 Li\n0.923478 0.076522 0.000000 Fe\n-0.005582 0.518292 0.736367 Fe\n0.481708 0.005583 0.263633 Fe\n0.582504 0.417496 0.000000 Fe\n0.423013 0.576988 0.500000 Fe\n0.746754 0.253246 0.500000 Co\n0.249440 0.750560 0.000000 Co\n0.035611 0.229886 0.614744 O\n0.394430 0.860254 0.613098 O\n0.222403 0.046717 0.113192 O\n0.537423 0.714630 0.107919 O\n0.770114 0.964389 0.385256 O\n0.874850 0.362313 0.107207 O\n0.953283 0.777598 0.886809 O\n0.705571 0.536125 0.614880 O\n0.637687 0.125151 0.892794 O\n0.285370 0.462578 0.892082 O\n0.463876 0.294429 0.385121 O\n0.139746 0.605570 0.386902 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 5.141539011467409,
"density_atomic": 0.11168708743003007,
"volume": 196.97890334710894,
"volume_molar": 5.391975830485115,
"formula_full": "Li3 Fe5 Co2 O12",
"formula_reduced": "Li3Fe5(CoO6)2",
"formula_anonymous": "A2B3C5D12",
"energy_above_hull": 3.092765513636364,
"spacegroup": 5
},
{
"id": "jvasp-120252",
"created_at": "2022-09-04T14:38:46.409814Z",
"updated_at": "2022-09-04T14:38:46.409842Z",
"structure_string": "Ge2 I1\n1.0\n3.844347 0.264581 1.542321\n-1.724209 -3.715750 -0.668528\n-2.885474 1.168289 -7.925554\nGe I\n2 1\ndirect\n0.159136 0.688513 0.640401 Ge\n0.637462 0.970767 0.520101 Ge\n0.014759 0.944492 0.079618 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ge",
"I"
],
"chemical_system": "Ge-I",
"density": 4.835596635895816,
"density_atomic": 0.03209658906330388,
"volume": 93.46787579462482,
"volume_molar": 18.762556819114252,
"formula_full": "Ge2 I1",
"formula_reduced": "Ge2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.439352975,
"spacegroup": 5
},
{
"id": "jvasp-112983",
"created_at": "2022-09-04T14:38:46.217241Z",
"updated_at": "2022-09-04T14:38:46.217268Z",
"structure_string": "Mg4 B2 P4 O20\n1.0\n6.449753 0.026968 0.683877\n0.888793 6.388278 0.683877\n-0.043789 -0.038280 8.252881\nMg B P O\n4 2 4 20\ndirect\n0.918608 0.765144 0.331907 Mg\n0.539294 0.136044 0.343452 Mg\n0.234856 0.081391 0.668093 Mg\n0.863956 0.460706 0.656548 Mg\n0.725030 0.727545 0.976153 B\n0.272455 0.274969 0.023848 B\n0.323962 0.540751 0.741650 P\n0.459248 0.676038 0.258350 P\n0.025456 0.245944 0.322684 P\n0.754055 0.974545 0.677317 P\n0.460489 0.185314 0.097786 O\n0.301292 0.478278 0.931573 O\n0.521722 0.698708 0.068428 O\n0.183427 0.410960 0.666734 O\n0.258229 0.773933 0.711208 O\n0.515795 0.446747 0.320735 O\n0.814685 0.539511 0.902214 O\n0.249559 0.117536 0.919892 O\n0.882464 0.750442 0.080109 O\n0.857269 0.780392 0.589646 O\n0.090673 0.318868 0.141004 O\n0.681131 0.909328 0.858996 O\n0.923488 0.446646 0.402401 O\n0.907442 0.133423 0.679897 O\n0.219609 0.142730 0.410355 O\n0.866576 0.092558 0.320104 O\n0.589039 0.816574 0.333267 O\n0.553253 0.484205 0.679265 O\n0.553354 0.076511 0.597600 O\n0.226067 0.741770 0.288793 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Mg",
"B",
"P",
"O"
],
"chemical_system": "B-Mg-O-P",
"density": 2.7468586968259414,
"density_atomic": 0.08818855559011406,
"volume": 340.1801945757574,
"volume_molar": 6.828710051664665,
"formula_full": "Mg4 B2 P4 O20",
"formula_reduced": "Mg2B(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 2.573071778888889,
"spacegroup": 5
}
]
}