HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4628",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4626",
"results": [
{
"id": "jvasp-99354",
"created_at": "2022-09-04T14:36:03.701454Z",
"updated_at": "2022-09-04T14:36:03.701479Z",
"structure_string": "Ca5 Mn1 Si9 Pb9 O33\n1.0\n9.819561 0.000000 0.000000\n-4.909781 8.503989 -0.000000\n-0.000000 0.000000 10.214128\nCa Mn Si Pb O\n5 1 9 9 33\ndirect\n0.333333 0.666667 0.662041 Ca\n0.666667 0.333333 0.676631 Ca\n0.333333 0.666667 0.337959 Ca\n0.666667 0.333333 0.323369 Ca\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Mn\n0.020705 0.400541 0.850828 Si\n0.379836 0.979295 0.149172 Si\n0.406738 0.384274 0.500000 Si\n0.599459 0.620164 0.149172 Si\n0.020705 0.400541 0.149172 Si\n0.977535 0.593262 0.500000 Si\n0.379836 0.979295 0.850828 Si\n0.599459 0.620164 0.850828 Si\n0.615726 0.022464 0.500000 Si\n0.270302 0.262860 0.825828 Pb\n0.992558 0.729698 0.825828 Pb\n0.737140 0.007442 0.174172 Pb\n0.751356 0.746479 0.500000 Pb\n0.992558 0.729698 0.174172 Pb\n0.253521 0.004877 0.500000 Pb\n0.995123 0.248644 0.500000 Pb\n0.737140 0.007442 0.825828 Pb\n0.270302 0.262860 0.174172 Pb\n0.879427 0.398821 0.500000 O\n0.461826 0.868318 0.170065 O\n0.907751 0.645590 0.373886 O\n0.406492 0.538174 0.829935 O\n0.235857 0.929537 0.745954 O\n0.835599 0.344545 0.149746 O\n0.907751 0.645590 0.626114 O\n0.078012 0.370906 0.000000 O\n0.601179 0.480605 0.500000 O\n0.519394 0.120573 0.500000 O\n0.835599 0.344545 0.850254 O\n0.131682 0.593508 0.170065 O\n0.166931 0.673543 0.500000 O\n0.406492 0.538174 0.170065 O\n0.070463 0.306320 0.745954 O\n0.461826 0.868318 0.829935 O\n0.326457 0.493388 0.500000 O\n0.506612 0.833070 0.500000 O\n0.629094 0.707105 0.000000 O\n0.292895 0.921988 0.000000 O\n0.737839 0.092249 0.626114 O\n0.354410 0.262161 0.373886 O\n0.693680 0.764143 0.254046 O\n0.070463 0.306320 0.254046 O\n0.508946 0.164401 0.149746 O\n0.655455 0.491054 0.850254 O\n0.508946 0.164401 0.850254 O\n0.131682 0.593508 0.829935 O\n0.655455 0.491054 0.149746 O\n0.235857 0.929537 0.254046 O\n0.693680 0.764143 0.745954 O\n0.354410 0.262161 0.626114 O\n0.737839 0.092249 0.373886 O\n",
"nsites": 57,
"nelements": 5,
"elements": [
"Ca",
"Mn",
"Si",
"Pb",
"O"
],
"chemical_system": "Ca-Mn-O-Pb-Si",
"density": 5.647580962563521,
"density_atomic": 0.06682805134013003,
"volume": 852.9352398724168,
"volume_molar": 9.011396620484312,
"formula_full": "Ca5 Mn1 Si9 Pb9 O33",
"formula_reduced": "Ca5MnSi9(Pb3O11)3",
"formula_anonymous": "AB5C9D9E33",
"energy_above_hull": 2.525958940725953,
"spacegroup": 174
},
{
"id": "jvasp-97867",
"created_at": "2022-09-04T14:36:04.289974Z",
"updated_at": "2022-09-04T14:36:04.290011Z",
"structure_string": "K4 Nb11 Al2 O20 F1\n1.0\n7.715780 0.000000 -4.404432\n-2.514201 7.294660 -4.404432\n-0.000582 -0.000815 8.959534\nK Nb Al O F\n4 11 2 20 1\ndirect\n0.500000 0.808217 0.000000 K\n0.191783 0.500000 0.000000 K\n0.808217 0.500000 0.000000 K\n0.500000 0.191783 0.000000 K\n0.324236 0.000728 0.324965 Nb\n0.316447 0.316446 0.632893 Nb\n0.000000 0.000000 0.000000 Nb\n0.000728 0.324236 0.324965 Nb\n0.324236 0.324236 0.324965 Nb\n0.683553 0.683553 0.367107 Nb\n0.000728 0.000728 0.324965 Nb\n0.675764 0.675763 0.675035 Nb\n0.999272 0.675763 0.675035 Nb\n0.675764 0.999271 0.675035 Nb\n0.999272 0.999271 0.675035 Nb\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.170332 0.170332 0.000000 O\n0.834239 0.494555 0.668478 O\n0.165761 0.826078 0.331522 O\n0.173922 0.834239 0.668478 O\n0.165761 0.505444 0.331522 O\n0.839061 0.839060 0.347115 O\n0.491945 0.491945 0.652885 O\n0.494556 0.834239 0.668478 O\n0.160940 0.491945 0.652885 O\n0.508055 0.839060 0.347115 O\n0.839061 0.508054 0.347115 O\n0.829668 0.170332 0.000000 O\n0.829668 0.829668 0.000000 O\n0.508055 0.508054 0.347115 O\n0.160940 0.160939 0.652885 O\n0.505445 0.165761 0.331522 O\n0.826078 0.165761 0.331522 O\n0.834239 0.173922 0.668477 O\n0.491945 0.160939 0.652885 O\n0.170332 0.829668 0.000000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 38,
"nelements": 5,
"elements": [
"K",
"Nb",
"Al",
"O",
"F"
],
"chemical_system": "Al-F-K-Nb-O",
"density": 5.174747721269667,
"density_atomic": 0.07536349245921883,
"volume": 504.2229169589347,
"volume_molar": 7.990793106169727,
"formula_full": "K4 Nb11 Al2 O20 F1",
"formula_reduced": "K4Nb11Al2O20F",
"formula_anonymous": "AB2C4D11E20",
"energy_above_hull": 3.6205245074342094,
"spacegroup": 139
},
{
"id": "jvasp-106122",
"created_at": "2022-09-04T14:36:01.450594Z",
"updated_at": "2022-09-04T14:36:01.450619Z",
"structure_string": "Ca1 La1 V1 Fe1 O6\n1.0\n4.651139 0.000000 2.685336\n1.550380 4.385136 2.685336\n-0.000000 0.000000 5.370673\nCa La V Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ca\n0.250000 0.250000 0.250000 La\n0.500000 0.500001 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.749610 0.749610 0.250391 O\n0.250390 0.749610 0.250390 O\n0.749610 0.250391 0.250391 O\n0.250390 0.250391 0.749610 O\n0.749610 0.250391 0.749610 O\n0.250390 0.749610 0.749610 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"La",
"V",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-La-O-V",
"density": 5.787295654166322,
"density_atomic": 0.09129119744405445,
"volume": 109.53958629065252,
"volume_molar": 6.596628074344757,
"formula_full": "Ca1 La1 V1 Fe1 O6",
"formula_reduced": "CaLaVFeO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.562332612,
"spacegroup": 216
},
{
"id": "jvasp-86519",
"created_at": "2022-09-04T14:36:06.397511Z",
"updated_at": "2022-09-04T14:36:06.397535Z",
"structure_string": "K2 Na2 Nd2 Nb2 O10\n1.0\n5.769467 -0.000000 0.000000\n0.000000 5.769467 0.000000\n0.000000 0.000000 8.303880\nK Na Nd Nb O\n2 2 2 2 10\ndirect\n0.250000 0.750000 0.000000 K\n0.750000 0.250000 0.000000 K\n0.250000 0.250000 0.757861 Na\n0.750000 0.750000 0.242139 Na\n0.250000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Nd\n0.250000 0.250000 0.255829 Nb\n0.750000 0.750000 0.744171 Nb\n0.981988 0.518013 0.671540 O\n0.518013 0.981988 0.671540 O\n0.250000 0.250000 0.030520 O\n0.481988 0.481988 0.328460 O\n0.981988 0.981988 0.671540 O\n0.750000 0.750000 0.969480 O\n0.518013 0.518013 0.671540 O\n0.018012 0.018012 0.328460 O\n0.481988 0.018012 0.328460 O\n0.018012 0.481988 0.328460 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"Na",
"Nd",
"Nb",
"O"
],
"chemical_system": "K-Na-Nb-Nd-O",
"density": 4.556519964496791,
"density_atomic": 0.06512084890501171,
"volume": 276.4091731398593,
"volume_molar": 9.247638600019133,
"formula_full": "K2 Na2 Nd2 Nb2 O10",
"formula_reduced": "KNaNdNbO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.9927872666666668,
"spacegroup": 129
},
{
"id": "jvasp-112089",
"created_at": "2022-09-04T14:38:44.392384Z",
"updated_at": "2022-09-04T14:38:44.392413Z",
"structure_string": "H6 C6 S2 N2 O2\n1.0\n4.418654 -0.233889 2.088257\n-0.014597 6.193485 2.486530\n0.080037 -0.147670 7.073518\nH C S N O\n6 6 2 2 2\ndirect\n0.531838 0.160365 0.015157 H\n0.537657 0.253884 0.579811 H\n0.598977 0.435653 0.869710 H\n0.531801 0.660365 0.515153 H\n0.537621 0.753879 0.079807 H\n0.598941 0.935654 0.369707 H\n0.127895 0.254869 0.846178 C\n0.127857 0.754878 0.346170 C\n0.618531 0.778790 0.344942 C\n0.949053 0.748615 0.219524 C\n0.618568 0.278789 0.844947 C\n0.949089 0.248615 0.719528 C\n0.094598 0.213035 0.479079 S\n0.094561 0.713024 0.979079 S\n0.434084 0.266113 0.736125 N\n0.434049 0.766115 0.236119 N\n-0.008444 0.751456 0.543032 O\n-0.008408 0.251438 0.043041 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7302873353554262,
"density_atomic": 0.09273516121725904,
"volume": 194.10113449665303,
"volume_molar": 6.493913075636312,
"formula_full": "H6 C6 S2 N2 O2",
"formula_reduced": "H3C3SNO",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 4.61999075,
"spacegroup": 1
},
{
"id": "jvasp-112848",
"created_at": "2022-09-04T14:38:44.873635Z",
"updated_at": "2022-09-04T14:38:44.873661Z",
"structure_string": "Li4 Mn3 Nb2 Cu3 O16\n1.0\n5.812650 0.045363 0.216469\n-2.747493 5.132120 -0.014689\n-0.050221 -0.001415 9.688529\nLi Mn Nb Cu O\n4 3 2 3 16\ndirect\n0.341239 0.681674 0.904635 Li\n0.980218 0.992914 0.993731 Li\n0.995097 0.991059 0.485354 Li\n0.680833 0.327257 0.404117 Li\n0.655408 0.832701 0.221632 Mn\n0.830899 0.661910 0.714369 Mn\n0.826368 0.161778 0.716864 Mn\n0.317658 0.637705 0.488142 Nb\n0.657101 0.343862 0.994873 Nb\n0.337928 0.166155 0.714349 Cu\n0.164424 0.831074 0.212582 Cu\n0.162138 0.336931 0.207674 Cu\n0.315226 0.193395 0.066749 O\n0.823717 0.667576 0.098734 O\n0.685800 0.346337 0.615174 O\n0.532549 0.046306 0.834620 O\n0.557206 0.532198 0.841271 O\n0.680984 0.845821 0.608335 O\n0.551864 0.566469 0.355807 O\n0.044174 0.483939 0.359405 O\n0.159146 0.313143 0.599569 O\n0.987821 0.986696 0.805527 O\n0.988361 0.003373 0.296591 O\n0.348139 0.672361 0.120024 O\n0.967059 0.476286 0.828853 O\n0.140548 0.804983 0.587553 O\n0.489614 0.966093 0.342616 O\n0.778493 0.130307 0.088690 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-Nb-O",
"density": 4.71942487772171,
"density_atomic": 0.09645703450266743,
"volume": 290.2846862789016,
"volume_molar": 6.24334014729995,
"formula_full": "Li4 Mn3 Nb2 Cu3 O16",
"formula_reduced": "Li4Mn3Nb2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.8541749240763545,
"spacegroup": 1
},
{
"id": "jvasp-119614",
"created_at": "2022-09-04T14:38:36.214018Z",
"updated_at": "2022-09-04T14:38:36.214044Z",
"structure_string": "Gd1 H9 C5 N2 O8\n1.0\n6.475040 0.109364 1.831058\n2.503610 5.972440 1.831058\n0.132487 0.089742 6.587188\nGd H C N O\n1 9 5 2 8\ndirect\n0.052329 0.947671 0.000000 Gd\n0.969312 0.030688 0.500001 H\n0.618407 0.754018 0.101328 H\n0.245982 0.381592 0.898673 H\n0.844369 0.594925 0.396919 H\n0.405075 0.155631 0.603082 H\n0.552933 0.696830 0.524013 H\n0.303170 0.447067 0.475988 H\n0.604268 0.425190 0.820333 H\n0.574810 0.395732 0.179668 H\n0.574364 0.243027 0.300760 C\n0.756973 0.425635 0.699241 C\n0.115384 0.405536 0.048056 C\n0.594464 0.884616 0.951945 C\n0.124380 0.875620 0.500000 C\n0.716962 0.586332 0.526680 N\n0.413668 0.283038 0.473321 N\n0.214719 0.795829 0.666953 O\n0.204171 0.785281 0.333048 O\n0.950737 0.281895 0.729158 O\n0.718104 0.049263 0.270843 O\n0.420703 0.935516 0.874915 O\n0.064484 0.579297 0.125086 O\n0.737440 0.971848 0.868632 O\n0.028151 0.262560 0.131369 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Gd",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Gd-H-N-O",
"density": 2.5311461883265567,
"density_atomic": 0.09965725667905034,
"volume": 250.8598052273641,
"volume_molar": 6.042852232421482,
"formula_full": "Gd1 H9 C5 N2 O8",
"formula_reduced": "GdH9C5(NO4)2",
"formula_anonymous": "AB2C5D8E9",
"energy_above_hull": 4.53038512,
"spacegroup": 5
},
{
"id": "jvasp-120553",
"created_at": "2022-09-04T14:38:45.436278Z",
"updated_at": "2022-09-04T14:38:45.436308Z",
"structure_string": "Ag4 Hg4 S4 Br1 Cl3\n1.0\n4.523090 -0.004324 0.004703\n0.006751 6.901585 0.033823\n0.002323 0.003083 12.992741\nAg Hg S Br Cl\n4 4 4 1 3\ndirect\n-0.000863 0.791415 0.460286 Ag\n0.000946 0.208780 0.541747 Ag\n0.001209 0.291823 0.042169 Ag\n0.998701 0.700468 0.951448 Ag\n0.499985 0.623132 0.244786 Hg\n0.500024 0.374834 0.756181 Hg\n0.500300 0.125474 0.262602 Hg\n0.499675 0.876512 0.740134 Hg\n0.499526 0.857760 0.385180 S\n0.500544 0.140694 0.616874 S\n0.500754 0.359808 0.121287 S\n0.499122 0.638598 0.878672 S\n0.000646 0.873328 0.133513 Br\n-0.000540 0.137982 0.863052 Cl\n0.999709 0.370315 0.365356 Cl\n0.000255 0.629081 0.636707 Cl\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ag",
"Hg",
"S",
"Br",
"Cl"
],
"chemical_system": "Ag-Br-Cl-Hg-S",
"density": 6.339210758575263,
"density_atomic": 0.03944893752057689,
"volume": 405.58760274986537,
"volume_molar": 15.265660214191577,
"formula_full": "Ag4 Hg4 S4 Br1 Cl3",
"formula_reduced": "Ag4Hg4S4BrCl3",
"formula_anonymous": "AB3C4D4E4",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-113186",
"created_at": "2022-09-04T14:38:47.703663Z",
"updated_at": "2022-09-04T14:38:47.703696Z",
"structure_string": "Rb2 Mo2 P2 Cl2 O10\n1.0\n6.500234 -0.000000 0.000000\n0.000000 6.500234 0.000000\n-0.000000 -0.000000 7.423700\nRb Mo P Cl O\n2 2 2 2 10\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Rb\n0.500000 0.000000 0.093050 Mo\n-0.000000 0.500000 0.906950 Mo\n0.500000 0.500000 -0.000000 P\n0.000000 0.000000 0.000000 P\n-0.000000 0.500000 0.556601 Cl\n0.500000 0.000000 0.443399 Cl\n0.500000 0.688390 0.127182 O\n-0.000000 0.188390 0.872818 O\n0.688390 0.500000 0.872818 O\n0.311609 0.500000 0.872818 O\n0.188390 0.000000 0.127182 O\n0.500000 0.000000 0.868085 O\n0.500000 0.311609 0.127182 O\n-0.000000 0.500000 0.131915 O\n0.811609 0.000000 0.127182 O\n-0.000000 0.811609 0.872818 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Rb",
"Mo",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-P-Rb",
"density": 3.470974802542837,
"density_atomic": 0.05738443499315885,
"volume": 313.67390830189214,
"volume_molar": 10.494380158518483,
"formula_full": "Rb2 Mo2 P2 Cl2 O10",
"formula_reduced": "RbMoPClO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.412450329722222,
"spacegroup": 129
},
{
"id": "jvasp-110944",
"created_at": "2022-09-04T14:38:48.275021Z",
"updated_at": "2022-09-04T14:38:48.275048Z",
"structure_string": "Ba1 Sm1 Fe1 Cu1 O5\n1.0\n3.924349 0.000000 0.000000\n0.000000 3.924349 0.000000\n-0.000000 -0.000000 7.683975\nBa Sm Fe Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.727170 Ba\n0.500000 0.500000 0.203212 Sm\n0.000000 0.000000 0.448602 Fe\n0.000000 0.000000 0.993677 Cu\n0.500000 0.000000 0.398359 O\n-0.000000 0.500000 0.398359 O\n0.500000 0.000000 0.015112 O\n-0.000000 0.500000 0.015112 O\n0.000000 0.000000 0.688393 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Sm",
"Fe",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Fe-O-Sm",
"density": 6.834767525957598,
"density_atomic": 0.07605387036016185,
"volume": 118.33717281421004,
"volume_molar": 7.918256798084646,
"formula_full": "Ba1 Sm1 Fe1 Cu1 O5",
"formula_reduced": "BaSmFeCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.892336477222222,
"spacegroup": 99
},
{
"id": "jvasp-120549",
"created_at": "2022-09-04T14:38:45.317183Z",
"updated_at": "2022-09-04T14:38:45.317213Z",
"structure_string": "Ba4 Fe2 Co2 Cl2 F14\n1.0\n5.785771 0.000000 0.000000\n-0.000000 7.279488 2.239135\n-0.000000 0.043330 8.863821\nBa Fe Co Cl F\n4 2 2 2 14\ndirect\n0.250000 0.676832 0.586723 Ba\n0.750000 0.323168 0.413277 Ba\n0.250000 0.705506 0.068243 Ba\n0.750000 0.294495 0.931758 Ba\n0.250000 0.176099 0.732113 Fe\n0.750000 0.823901 0.267888 Fe\n0.250000 0.177949 0.183769 Co\n0.750000 0.822051 0.816231 Co\n0.250000 0.119721 0.477265 Cl\n0.750000 0.880279 0.522736 Cl\n0.507412 0.640595 0.344010 F\n0.007412 0.359406 0.655990 F\n0.493411 0.374912 0.159725 F\n0.993411 0.625089 0.840275 F\n0.506589 0.625089 0.840275 F\n0.006589 0.374912 0.159725 F\n0.750000 0.756968 0.065251 F\n0.990496 -0.000100 0.177273 F\n0.509504 -0.000100 0.177273 F\n0.009504 0.000100 0.822727 F\n-0.007412 0.640595 0.344010 F\n0.250000 0.243033 0.934749 F\n0.490496 0.000100 0.822727 F\n0.492587 0.359406 0.655990 F\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"Fe",
"Co",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-Co-F-Fe",
"density": 4.970335388573427,
"density_atomic": 0.06438455653677987,
"volume": 372.7601973353646,
"volume_molar": 9.353393241995594,
"formula_full": "Ba4 Fe2 Co2 Cl2 F14",
"formula_reduced": "Ba2FeCoClF7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 0.3060303654166665,
"spacegroup": 11
},
{
"id": "jvasp-116775",
"created_at": "2022-09-04T14:38:45.162857Z",
"updated_at": "2022-09-04T14:38:45.162879Z",
"structure_string": "Sr2 Ca2 Ni2 P4 O16\n1.0\n5.534365 0.023110 -1.127025\n-1.504257 6.297415 -2.261725\n0.056290 0.017548 9.292460\nSr Ca Ni P O\n2 2 2 4 16\ndirect\n0.271276 0.805053 0.067342 Sr\n0.728723 0.194948 0.932658 Sr\n0.016985 0.422814 0.663515 Ca\n-0.016986 0.577188 0.336485 Ca\n0.645270 0.850512 0.557783 Ni\n0.354729 0.149489 0.442217 Ni\n0.156494 0.968293 0.703161 P\n0.843505 0.031708 0.296839 P\n0.385253 0.418112 0.225413 P\n0.614746 0.581889 0.774587 P\n0.357415 0.199173 0.241974 O\n0.633012 0.962117 0.371072 O\n0.589764 0.408431 0.609461 O\n0.410235 0.591570 0.390539 O\n0.143328 0.432150 0.118979 O\n0.735927 0.002632 0.125948 O\n0.264072 -0.002631 0.874053 O\n0.642584 0.800828 0.758026 O\n0.010837 0.735682 0.596889 O\n0.391646 0.538446 0.840896 O\n0.953485 0.101798 0.693423 O\n0.046514 0.898203 0.306577 O\n0.608353 0.461556 0.159104 O\n0.856671 0.567851 0.881022 O\n0.989162 0.264319 0.403111 O\n0.366987 0.037884 0.628928 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ni",
"P",
"O"
],
"chemical_system": "Ca-Ni-O-P-Sr",
"density": 3.8476397105607587,
"density_atomic": 0.08004146953307095,
"volume": 324.8316173062953,
"volume_molar": 7.523775856603701,
"formula_full": "Sr2 Ca2 Ni2 P4 O16",
"formula_reduced": "SrCaNi(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy_above_hull": 2.189735240769231,
"spacegroup": 2
}
]
}