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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4447",
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"results": [
{
"id": "jvasp-119163",
"created_at": "2022-09-04T14:38:51.770319Z",
"updated_at": "2022-09-04T14:38:51.770346Z",
"structure_string": "Na2 Ca2 Ga2 Si4 O14\n1.0\n7.745355 -0.000000 0.000000\n0.000000 5.069019 0.130716\n0.000000 -0.014432 7.775180\nNa Ca Ga Si O\n2 2 2 4 14\ndirect\n0.661972 0.494153 0.930045 Na\n0.161972 0.505847 0.069956 Na\n0.343322 0.491175 0.595134 Ca\n0.843322 0.508826 0.404866 Ca\n0.499653 0.000942 0.253704 Ga\n-0.000347 0.999058 0.746297 Ga\n0.859646 0.047949 0.112351 Si\n0.359646 0.952051 0.887650 Si\n0.141740 0.057914 0.393677 Si\n0.641739 0.942087 0.606324 Si\n0.828099 0.796731 0.647759 O\n0.328099 0.203269 0.352241 O\n0.184750 0.795870 0.819323 O\n0.684750 0.204131 0.180677 O\n0.902198 0.182362 0.922728 O\n0.402198 0.817639 0.077273 O\n0.352195 0.266230 0.870360 O\n0.573839 0.779145 0.434446 O\n0.642037 0.255867 0.583761 O\n0.142038 0.744133 0.416239 O\n0.510544 0.823178 0.758972 O\n0.852195 0.733771 0.129641 O\n0.073839 0.220855 0.565554 O\n0.010545 0.176823 0.241028 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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"Ga",
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],
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"density": 3.274069375012503,
"density_atomic": 0.07861669013999925,
"volume": 305.2786877348972,
"volume_molar": 7.660130119031818,
"formula_full": "Na2 Ca2 Ga2 Si4 O14",
"formula_reduced": "NaCaGaSi2O7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 1.9599061204166663,
"spacegroup": 4
},
{
"id": "jvasp-116864",
"created_at": "2022-09-04T14:38:51.669436Z",
"updated_at": "2022-09-04T14:38:51.669455Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n4.231365 0.000188 -2.030792\n-0.000226 8.337413 0.000261\n-0.229984 -0.000222 7.127630\nLi V P O\n2 2 4 14\ndirect\n0.318488 0.483520 0.788267 Li\n0.681511 0.983519 0.211731 Li\n0.271132 0.839976 0.730646 V\n0.728869 0.339977 0.269355 V\n0.434979 0.186844 0.545856 P\n0.061893 0.790772 0.008829 P\n0.938109 0.290771 0.991172 P\n0.565024 0.686843 0.454145 P\n0.685339 0.527631 0.416870 O\n0.804937 0.824593 0.491523 O\n0.566639 0.167876 0.385723 O\n0.218975 0.943456 0.971018 O\n0.244290 0.740338 0.249218 O\n0.755710 0.240337 0.750782 O\n0.314662 0.027631 0.583131 O\n0.433365 0.667876 0.614280 O\n0.195065 0.324594 0.508477 O\n0.882748 0.164096 0.128732 O\n0.117255 0.664095 0.871270 O\n0.274312 0.323689 0.021703 O\n0.781024 0.443456 0.028981 O\n0.725688 0.823689 -0.021703 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.1100117355442727,
"density_atomic": 0.08886767199623544,
"volume": 247.55908988965024,
"volume_molar": 6.776525844240758,
"formula_full": "Li2 V2 P4 O14",
"formula_reduced": "LiVP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.8534554272727277,
"spacegroup": 4
},
{
"id": "jvasp-119541",
"created_at": "2022-09-04T14:38:51.282386Z",
"updated_at": "2022-09-04T14:38:51.282396Z",
"structure_string": "Na6 Fe2 O8\n1.0\n7.191212 0.163998 0.000067\n0.132631 6.013269 0.000067\n-0.000027 -0.000034 5.448350\nNa Fe O\n6 2 8\ndirect\n0.004878 0.145496 0.481386 Na\n0.244218 0.327582 0.979559 Na\n0.255781 0.672419 0.479557 Na\n0.495120 0.854504 0.981386 Na\n0.738682 0.675301 0.496449 Na\n0.761317 0.324700 0.996450 Na\n0.998571 0.820393 0.998806 Fe\n0.501430 0.179609 0.498805 Fe\n0.012697 0.092878 0.903352 O\n0.987893 0.800394 0.311779 O\n0.208846 0.701895 0.896224 O\n0.291150 0.298107 0.396224 O\n0.512106 0.199607 0.811781 O\n0.487303 0.907123 0.403353 O\n0.705043 0.305957 0.417179 O\n0.794955 0.694047 0.917181 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 2.662865660357963,
"density_atomic": 0.06794551051632551,
"volume": 235.48281377848537,
"volume_molar": 8.863191569593166,
"formula_full": "Na6 Fe2 O8",
"formula_reduced": "Na3FeO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.3941083125,
"spacegroup": 4
},
{
"id": "jvasp-117134",
"created_at": "2022-09-04T14:38:50.838304Z",
"updated_at": "2022-09-04T14:38:50.838330Z",
"structure_string": "La6 Mn2 O14\n1.0\n5.311074 0.000000 0.000000\n-0.000000 5.328689 1.464310\n-0.000000 0.047274 10.546288\nLa Mn O\n6 2 14\ndirect\n0.239139 0.403569 0.140203 La\n0.245434 0.063541 0.855088 La\n0.234509 0.241622 0.500280 La\n0.739139 0.596431 0.859797 La\n0.745434 0.936459 0.144912 La\n0.734509 0.758378 0.499720 La\n0.236997 0.648713 0.676073 Mn\n0.736996 0.351287 0.323927 Mn\n0.735530 0.308497 0.495145 O\n0.484953 0.418705 0.709134 O\n0.499837 0.103907 0.326536 O\n0.477283 0.900589 0.668195 O\n0.497267 0.589544 0.291831 O\n0.219654 0.024558 0.075865 O\n-0.000163 0.896092 0.673464 O\n0.235530 0.691503 0.504855 O\n0.977283 0.099410 0.331805 O\n0.739361 0.406401 0.099494 O\n0.997267 0.410456 0.708169 O\n0.984952 0.581294 0.290866 O\n0.239362 0.593598 0.900507 O\n0.719653 0.975441 0.924135 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.502265623802251,
"density_atomic": 0.07379987308474015,
"volume": 298.10349368404286,
"volume_molar": 8.160096363695805,
"formula_full": "La6 Mn2 O14",
"formula_reduced": "La3MnO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.6666115219435733,
"spacegroup": 4
},
{
"id": "jvasp-118971",
"created_at": "2022-09-04T14:38:50.670890Z",
"updated_at": "2022-09-04T14:38:50.670916Z",
"structure_string": "K2 Gd2 Ge2 S8\n1.0\n6.680460 0.000000 0.000000\n-0.000000 6.237253 1.949195\n-0.000000 0.091642 8.551302\nK Gd Ge S\n2 2 2 8\ndirect\n0.493764 0.261686 0.936993 K\n0.993764 0.738313 0.063006 K\n0.507523 0.230683 0.446785 Gd\n0.007523 0.769316 0.553215 Gd\n0.973264 0.219931 0.680128 Ge\n0.473264 0.780068 0.319872 Ge\n0.409687 0.568614 0.575772 S\n0.909686 0.431385 0.424228 S\n0.970300 0.421472 0.844588 S\n0.470300 0.578527 0.155412 S\n0.245890 0.012444 0.709432 S\n0.745890 0.987556 0.290567 S\n0.232573 0.030842 0.274487 S\n0.732573 0.969157 0.725513 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Gd",
"Ge",
"S"
],
"chemical_system": "Gd-Ge-K-S",
"density": 3.7150622162294913,
"density_atomic": 0.039423301054318266,
"volume": 355.11993226316844,
"volume_molar": 15.2755872769319,
"formula_full": "K2 Gd2 Ge2 S8",
"formula_reduced": "KGdGeS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.066029635714287,
"spacegroup": 4
},
{
"id": "jvasp-119692",
"created_at": "2022-09-04T14:38:50.390135Z",
"updated_at": "2022-09-04T14:38:50.390173Z",
"structure_string": "V6 O8 F4\n1.0\n4.623959 -0.027189 0.012688\n0.045246 7.518622 -0.608680\n-0.015538 -0.035980 5.489860\nV O F\n6 8 4\ndirect\n0.010249 0.675185 0.689441 V\n0.513333 0.355747 0.824556 V\n0.013340 0.977589 0.008777 V\n0.510260 0.658143 0.143909 V\n0.470910 0.012178 0.482745 V\n0.970909 0.321153 0.350585 V\n0.200845 0.905027 0.697420 O\n0.700854 0.428312 0.135912 O\n0.298490 0.569462 0.864568 O\n0.798487 0.763867 0.968779 O\n0.802683 0.092480 0.296845 O\n0.305424 0.889867 0.200413 O\n0.805429 0.443464 0.632908 O\n0.302690 0.240845 0.536474 O\n0.696425 0.766327 0.465924 F\n0.701633 0.105701 0.799554 F\n0.201597 0.227651 0.033758 F\n0.196447 0.567000 0.367436 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.4361846726356156,
"density_atomic": 0.09435640404537346,
"volume": 190.76606598259386,
"volume_molar": 6.382333897659043,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 4
},
{
"id": "jvasp-119057",
"created_at": "2022-09-04T14:38:50.207974Z",
"updated_at": "2022-09-04T14:38:50.208004Z",
"structure_string": "Mg2 Si2 H12 O12\n1.0\n5.164977 -0.000000 0.000000\n0.000000 5.115752 0.006663\n-0.000000 -0.001061 7.320674\nMg Si H O\n2 2 12 12\ndirect\n0.008020 0.752297 0.251245 Mg\n0.508020 0.247703 0.748754 Mg\n0.507691 0.252156 0.249337 Si\n0.007690 0.747844 0.750662 Si\n0.687660 0.591294 0.952096 H\n0.187660 0.408706 0.047903 H\n0.354413 0.929380 0.450097 H\n0.957505 0.227834 0.268950 H\n0.457505 0.772166 0.731049 H\n0.854414 0.070620 0.549902 H\n0.042689 0.299399 0.774465 H\n0.708413 0.035013 0.013195 H\n0.208412 0.964987 0.986804 H\n0.794988 0.539872 0.509801 H\n0.294987 0.460128 0.490198 H\n0.542690 0.700601 0.225534 H\n0.849866 0.052806 0.685640 O\n0.349866 0.947194 0.314359 O\n0.666861 0.560970 0.187029 O\n0.166861 0.439030 0.812970 O\n0.812839 0.111549 0.311198 O\n0.041963 0.870600 0.980290 O\n0.541964 0.129399 0.019708 O\n0.963984 0.628920 0.520413 O\n0.463984 0.371079 0.479586 O\n0.204111 0.399989 0.184393 O\n0.312838 0.888451 0.688801 O\n0.704111 0.600011 0.815606 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 2.651517561161086,
"density_atomic": 0.14475347795265844,
"volume": 193.43231261881934,
"volume_molar": 4.160273621867337,
"formula_full": "Mg2 Si2 H12 O12",
"formula_reduced": "MgSi(HO)6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 2.718247760714285,
"spacegroup": 4
},
{
"id": "jvasp-117157",
"created_at": "2022-09-04T14:38:48.847509Z",
"updated_at": "2022-09-04T14:38:48.847526Z",
"structure_string": "Na2 V2 H4 I4 O18\n1.0\n5.120652 0.000000 0.000000\n-0.000000 8.400385 3.231343\n-0.000000 0.080014 9.081694\nNa V H I O\n2 2 4 4 18\ndirect\n0.745293 0.038879 0.181373 Na\n0.245293 0.961120 0.818626 Na\n0.723376 0.726881 0.118213 V\n0.223377 0.273118 0.881786 V\n0.038239 0.117330 0.421021 H\n0.538238 0.882669 0.578978 H\n0.221054 0.030781 0.337003 H\n0.721054 0.969218 0.662996 H\n0.806333 0.325389 0.559933 I\n0.306333 0.674610 0.440067 I\n0.887435 0.624742 0.811034 I\n0.387435 0.375257 0.188965 I\n0.444174 0.218160 0.776122 O\n0.944174 0.781839 0.223877 O\n0.038598 0.116213 0.967526 O\n0.538598 0.883786 0.032473 O\n0.981467 0.393757 0.713528 O\n0.481467 0.606242 0.286472 O\n0.941953 0.122609 0.618179 O\n0.441953 0.877390 0.381820 O\n0.652607 0.523053 0.077477 O\n0.548515 0.572380 0.591726 O\n0.091485 0.750499 0.649047 O\n0.591485 0.249500 0.350952 O\n0.152607 0.476946 0.922522 O\n0.088889 0.118331 0.315199 O\n0.959709 0.744399 0.939271 O\n0.459709 0.255600 0.060728 O\n0.048516 0.427619 0.408273 O\n0.588889 0.881668 0.684801 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
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"V",
"H",
"I",
"O"
],
"chemical_system": "H-I-Na-O-V",
"density": 4.0412153406256985,
"density_atomic": 0.07705561653572346,
"volume": 389.329179996786,
"volume_molar": 7.815317079720073,
"formula_full": "Na2 V2 H4 I4 O18",
"formula_reduced": "NaVH2I2O9",
"formula_anonymous": "ABC2D2E9",
"energy_above_hull": 2.3919884833333334,
"spacegroup": 4
},
{
"id": "jvasp-117035",
"created_at": "2022-09-04T14:38:47.805552Z",
"updated_at": "2022-09-04T14:38:47.805570Z",
"structure_string": "Ba2 Sr2 Mg2 Si4 O14\n1.0\n8.155322 -0.000000 0.000000\n0.000000 5.298872 0.089848\n-0.000000 -0.006828 8.161398\nBa Sr Mg Si O\n2 2 2 4 14\ndirect\n0.166536 0.487531 0.088912 Ba\n0.666536 0.512468 0.911088 Ba\n0.833375 0.495831 0.416141 Sr\n0.333375 0.504168 0.583860 Sr\n0.500232 0.997891 0.252667 Mg\n0.000232 0.002108 0.747333 Mg\n0.637837 0.054991 0.600492 Si\n0.137837 0.945008 0.399508 Si\n0.361564 0.043472 0.876397 Si\n0.861564 0.956528 0.123604 Si\n0.139428 0.250273 0.405131 O\n0.639428 0.749726 0.594869 O\n0.809534 0.188541 0.661166 O\n0.309534 0.811458 0.338835 O\n0.193348 0.190515 0.818508 O\n0.693348 0.809484 0.181493 O\n0.499533 0.151982 0.739283 O\n0.422601 0.164866 0.050398 O\n0.077996 0.793609 0.566730 O\n0.577995 0.206390 0.433271 O\n0.358015 0.738374 0.871835 O\n0.999532 0.848017 0.260718 O\n0.922601 0.835133 0.949603 O\n0.858015 0.261625 0.128165 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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"Sr",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Mg-O-Si-Sr",
"density": 3.930572745224369,
"density_atomic": 0.0680480965802425,
"volume": 352.6917166845238,
"volume_molar": 8.849829844834344,
"formula_full": "Ba2 Sr2 Mg2 Si4 O14",
"formula_reduced": "BaSrMgSi2O7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 1.9177410858333332,
"spacegroup": 4
},
{
"id": "jvasp-113200",
"created_at": "2022-09-04T14:38:47.451169Z",
"updated_at": "2022-09-04T14:38:47.451177Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n8.348879 0.000000 0.000000\n-0.000000 4.280854 1.976298\n-0.000000 0.308808 7.113990\nLi Fe P O\n2 2 4 14\ndirect\n0.515534 0.680416 0.787522 Li\n0.015534 0.319583 0.212478 Li\n0.157874 0.718193 0.727823 Fe\n0.657875 0.281806 0.272177 Fe\n0.812469 0.563233 0.551408 P\n0.208903 0.936460 0.005825 P\n0.708903 0.063540 0.994175 P\n0.312469 0.436767 0.448592 P\n0.473005 0.311759 0.414928 O\n0.174372 0.204626 0.480291 O\n0.831050 0.438982 0.387311 O\n0.056255 0.773567 0.978139 O\n0.271075 0.760972 0.242330 O\n0.771075 0.239028 0.757670 O\n0.973005 0.688241 0.585073 O\n0.331050 0.561017 0.612689 O\n0.674373 0.795373 0.519709 O\n0.832993 0.109680 0.138462 O\n0.332993 0.890319 0.861538 O\n0.673680 0.729778 0.022754 O\n0.556255 0.226432 0.021861 O\n0.173679 0.270221 -0.022754 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.1553748530694765,
"density_atomic": 0.08829629689031246,
"volume": 249.16107214926424,
"volume_molar": 6.820377492706296,
"formula_full": "Li2 Fe2 P4 O14",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.774172818181818,
"spacegroup": 4
},
{
"id": "jvasp-117839",
"created_at": "2022-09-04T14:38:47.531572Z",
"updated_at": "2022-09-04T14:38:47.531598Z",
"structure_string": "P2 Br2\n1.0\n7.644966 -0.271926 -2.916699\n4.320168 -4.637121 -2.009370\n1.930390 -3.292828 -4.178526\nP Br\n2 2\ndirect\n0.668282 0.834594 -0.018549 P\n0.549189 0.454436 0.218073 P\n0.901584 0.052071 0.102869 Br\n0.315786 0.142604 0.190837 Br\n",
"nsites": 4,
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"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.3758941482802065,
"density_atomic": 0.03667121231907507,
"volume": 109.07738651223542,
"volume_molar": 16.42198438274018,
"formula_full": "P2 Br2",
"formula_reduced": "PBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.8840298025000002,
"spacegroup": 4
},
{
"id": "jvasp-112235",
"created_at": "2022-09-04T14:38:47.205937Z",
"updated_at": "2022-09-04T14:38:47.205957Z",
"structure_string": "H24 C16 O4\n1.0\n7.464379 0.000000 -1.456496\n0.000000 6.257319 0.000000\n-0.165071 0.000000 7.528081\nH C O\n24 16 4\ndirect\n0.191939 0.558525 0.066803 H\n0.602519 0.729202 0.662404 H\n0.397481 0.229202 0.337596 H\n0.181782 0.196544 0.534439 H\n0.882640 0.430404 0.529155 H\n0.117360 0.930404 0.470844 H\n0.015364 0.584473 0.409828 H\n0.984636 0.084473 0.590172 H\n0.666403 0.115692 0.646537 H\n0.333598 0.615692 0.353463 H\n0.500255 0.591137 0.907373 H\n0.499745 0.091137 0.092627 H\n0.818218 0.696544 0.465560 H\n0.108689 0.189040 0.919871 H\n0.891312 0.689040 0.080129 H\n0.808061 0.058525 0.933197 H\n-0.001259 0.281371 0.204475 H\n0.174545 0.628800 0.740746 H\n0.001259 0.781371 0.795524 H\n0.371130 0.933324 0.745595 H\n0.628871 0.433324 0.254405 H\n0.304420 0.292514 0.859441 H\n0.695581 0.792514 0.140559 H\n0.825456 0.128800 0.259253 H\n0.876145 0.550315 0.421499 C\n0.754292 0.647059 0.095057 C\n0.123855 0.050315 0.578500 C\n0.616766 0.274800 0.677657 C\n0.383234 0.774800 0.322343 C\n0.645578 0.582941 0.907985 C\n0.354423 0.082941 0.092015 C\n0.245708 0.147059 0.904943 C\n0.149992 0.767844 0.822535 C\n0.233389 0.971673 0.760844 C\n0.850009 0.267844 0.177464 C\n0.784400 0.218879 0.981079 C\n0.215600 0.718879 0.018920 C\n0.690160 0.357758 0.858681 C\n0.309840 0.857758 0.141318 C\n0.766611 0.471673 0.239156 C\n0.312265 0.237502 0.218778 O\n0.499446 0.867905 0.437239 O\n0.500554 0.367905 0.562761 O\n0.687736 0.737502 0.781221 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3297195575890919,
"density_atomic": 0.1256749078737107,
"volume": 350.10966583890485,
"volume_molar": 4.791840202541929,
"formula_full": "H24 C16 O4",
"formula_reduced": "H6C4O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 4.597050318181819,
"spacegroup": 4
}
]
}