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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=227",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=225",
"results": [
{
"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-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-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-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-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-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-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-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-119459",
"created_at": "2022-09-04T14:38:49.785178Z",
"updated_at": "2022-09-04T14:38:49.785195Z",
"structure_string": "Li2 B7 H7\n1.0\n5.507000 -0.032068 2.156898\n-2.861701 4.705182 2.156898\n-0.010925 -0.019300 5.534273\nLi B H\n2 7 7\ndirect\n0.585514 0.414486 0.500000 Li\n0.004314 -0.004313 0.500000 Li\n0.705306 0.914320 0.296164 B\n0.085680 0.294694 0.703836 B\n0.987453 0.286586 0.056118 B\n0.713415 0.012547 0.943882 B\n0.613722 0.148923 0.183569 B\n0.851078 0.386278 0.816431 B\n-0.000090 0.000090 0.000000 B\n0.124792 0.875207 0.000001 H\n0.129333 0.425027 0.115599 H\n0.574973 0.870667 0.884401 H\n0.410915 0.136383 0.360451 H\n0.863617 0.589085 0.639549 H\n0.571462 0.723876 0.561298 H\n0.276124 0.428538 0.438702 H\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 1.1191407073786097,
"density_atomic": 0.11161251848172857,
"volume": 143.35309531268453,
"volume_molar": 5.395578239716765,
"formula_full": "Li2 B7 H7",
"formula_reduced": "Li2(BH)7",
"formula_anonymous": "A2B7C7",
"energy_above_hull": 3.9437611302083337,
"spacegroup": 5
},
{
"id": "jvasp-117016",
"created_at": "2022-09-04T14:38:49.207031Z",
"updated_at": "2022-09-04T14:38:49.207059Z",
"structure_string": "Mn2 Ni2 P4 O14\n1.0\n4.511735 -0.007215 -0.002897\n-1.448005 6.391627 0.007667\n0.005433 -0.008442 8.371133\nMn Ni P O\n2 2 4 14\ndirect\n0.538246 0.713491 0.700030 Mn\n0.538242 0.213495 0.200032 Mn\n0.538408 0.713461 0.321490 Ni\n0.538407 0.213459 0.821492 Ni\n0.129488 0.497262 0.998228 P\n0.129489 0.997266 0.498229 P\n0.947163 0.929642 0.998213 P\n0.947163 0.429642 0.498213 P\n0.253187 0.589107 0.506732 O\n0.253191 0.089103 0.006732 O\n0.753810 0.957654 0.851088 O\n0.753808 0.457656 0.351089 O\n0.322912 0.969298 0.351124 O\n0.322912 0.469296 0.851122 O\n0.303960 0.508226 0.154784 O\n0.772661 0.418685 0.654758 O\n0.303962 0.008230 0.654784 O\n0.823511 0.337753 0.006748 O\n0.038250 0.213427 0.456800 O\n0.038250 0.713424 0.956800 O\n0.772661 0.918684 0.154758 O\n0.823512 0.837756 0.506748 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mn",
"Ni",
"P",
"O"
],
"chemical_system": "Mn-Ni-O-P",
"density": 3.9577408166433945,
"density_atomic": 0.09116752355776546,
"volume": 241.3140024151296,
"volume_molar": 6.6055767722858665,
"formula_full": "Mn2 Ni2 P4 O14",
"formula_reduced": "MnNiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.918422285579937,
"spacegroup": 5
},
{
"id": "jvasp-113578",
"created_at": "2022-09-04T14:38:49.357511Z",
"updated_at": "2022-09-04T14:38:49.357536Z",
"structure_string": "Cd1 N1 O2\n1.0\n3.567543 -2.151514 0.755875\n3.567543 2.151514 0.755875\n0.475614 0.000000 3.149047\nCd N O\n1 1 2\ndirect\n0.042063 0.957937 0.500000 Cd\n0.611685 0.388315 -0.000001 N\n0.266811 0.420498 0.162145 O\n0.579502 0.733189 0.837854 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"N",
"O"
],
"chemical_system": "Cd-N-O",
"density": 5.621495021665731,
"density_atomic": 0.08547956636792078,
"volume": 46.794809215376894,
"volume_molar": 7.04512319830862,
"formula_full": "Cd1 N1 O2",
"formula_reduced": "CdNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.931465,
"spacegroup": 5
},
{
"id": "jvasp-117752",
"created_at": "2022-09-04T14:38:50.019294Z",
"updated_at": "2022-09-04T14:38:50.019319Z",
"structure_string": "C1 Br2\n1.0\n3.793948 -0.801151 -0.390514\n-2.231849 -3.211179 0.628400\n0.146803 -0.194249 -5.697297\nC Br\n1 2\ndirect\n0.024467 0.028815 0.964635 C\n0.130616 0.439474 0.209933 Br\n0.431524 0.133442 0.716667 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"C",
"Br"
],
"chemical_system": "Br-C",
"density": 3.582819230160758,
"density_atomic": 0.03767268940304964,
"volume": 79.63328468280652,
"volume_molar": 15.985428318033758,
"formula_full": "C1 Br2",
"formula_reduced": "CBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.09520607,
"spacegroup": 5
}
]
}