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=elements&page=4581",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4579",
"results": [
{
"id": "jvasp-111666",
"created_at": "2022-09-04T14:38:41.358845Z",
"updated_at": "2022-09-04T14:38:41.358875Z",
"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n5.849353 -0.016197 -0.676875\n-2.407680 5.567999 -2.294757\n0.008976 0.022888 7.683891\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.341472 0.711609 0.239495 K\n0.658528 0.288391 0.760506 K\n0.000000 0.000000 0.000000 Mg\n0.325141 0.661574 0.759155 Mo\n0.674859 0.338426 0.240845 Mo\n0.926090 0.863693 0.297022 H\n0.073910 0.136307 0.702978 H\n0.127378 0.131503 0.390950 H\n0.872622 0.868497 0.609050 H\n0.903958 0.298680 0.111869 O\n0.096042 0.701320 0.888131 O\n0.380844 0.230450 0.071552 O\n0.619156 0.769550 0.928448 O\n0.350963 0.812167 0.608902 O\n0.237979 0.347506 0.622232 O\n0.649037 0.187833 0.391098 O\n0.052477 0.983731 0.267314 O\n0.762021 0.652494 0.377768 O\n0.947523 0.016269 0.732686 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"K",
"Mg",
"Mo",
"H",
"O"
],
"chemical_system": "H-K-Mg-Mo-O",
"density": 3.040712568082623,
"density_atomic": 0.0758976432966591,
"volume": 250.33715376029798,
"volume_molar": 7.9345556705383045,
"formula_full": "K2 Mg1 Mo2 H4 O10",
"formula_reduced": "K2MgMo2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.792805360526316,
"spacegroup": 2
},
{
"id": "jvasp-85723",
"created_at": "2022-09-04T14:35:49.000096Z",
"updated_at": "2022-09-04T14:35:49.000123Z",
"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n4.959122 -0.636696 -1.747931\n-2.079829 7.314735 -0.143363\n-1.671764 1.759039 6.807201\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.540793 0.749055 0.437851 K\n0.459206 0.250944 0.562149 K\n0.000000 0.000000 0.000000 Mg\n0.354945 0.704043 0.887016 Mo\n0.645055 0.295956 0.112984 Mo\n0.168828 0.379839 0.080216 H\n0.831172 0.620160 0.919785 H\n0.888308 0.678169 0.272831 H\n0.111692 0.321830 0.727169 H\n0.829956 0.192238 0.040666 O\n0.170044 0.807760 0.959334 O\n0.184480 0.210503 0.825030 O\n0.815520 0.789495 0.174970 O\n0.530155 0.893736 0.746546 O\n0.616675 0.533354 0.872224 O\n0.469845 0.106263 0.253454 O\n0.020859 0.566204 0.677300 O\n0.383325 0.466644 0.127777 O\n-0.020858 0.433795 0.322700 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"K",
"Mg",
"Mo",
"H",
"O"
],
"chemical_system": "H-K-Mg-Mo-O",
"density": 3.397729892250386,
"density_atomic": 0.08480896684786834,
"volume": 224.03291427995458,
"volume_molar": 7.10083023508895,
"formula_full": "K2 Mg1 Mo2 H4 O10",
"formula_reduced": "K2MgMo2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.795099571052632,
"spacegroup": 2
},
{
"id": "jvasp-54955",
"created_at": "2022-09-04T14:36:50.442701Z",
"updated_at": "2022-09-04T14:36:50.442723Z",
"structure_string": "K1 Mn1 Ag3 C6 N6\n1.0\n3.355144 -5.811279 0.000000\n3.355144 5.811279 -0.000000\n-0.000000 0.000000 7.656023\nK Mn Ag C N\n1 1 3 6 6\ndirect\n0.666666 0.333332 0.000000 K\n0.000000 0.000000 0.000000 Mn\n0.011761 0.505881 0.500000 Ag\n0.494117 0.988238 0.500000 Ag\n0.494118 0.505881 0.500000 Ag\n0.659423 0.990663 0.724153 C\n0.331240 0.340575 0.724153 C\n0.009336 0.340576 0.275846 C\n0.659423 0.668759 0.275846 C\n0.009336 0.668759 0.724153 C\n0.331240 0.990663 0.275846 C\n0.225141 0.995416 0.155904 N\n0.004583 0.229724 0.155904 N\n0.770274 0.995415 0.844095 N\n0.004583 0.774857 0.844095 N\n0.770274 0.774857 0.155904 N\n0.225142 0.229724 0.844095 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"K",
"Mn",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-K-Mn-N",
"density": 3.19118628194902,
"density_atomic": 0.05694201158087445,
"volume": 298.5493404260049,
"volume_molar": 10.575918540297412,
"formula_full": "K1 Mn1 Ag3 C6 N6",
"formula_reduced": "KMnAg3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 5.140370383610548,
"spacegroup": 149
},
{
"id": "jvasp-97934",
"created_at": "2022-09-04T14:36:08.316608Z",
"updated_at": "2022-09-04T14:36:08.316622Z",
"structure_string": "K1 Mn1 H24 C14 N8\n1.0\n-4.327790 4.327790 6.055276\n4.327790 -4.327790 6.055276\n4.327790 4.327790 -6.055276\nK Mn H C N\n1 1 24 14 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Mn\n0.461635 0.184195 0.385878 H\n0.798317 0.075757 0.614122 H\n0.075757 0.461635 0.277440 H\n0.538365 0.815805 0.614122 H\n0.201683 0.924244 0.385878 H\n0.815805 0.201683 0.277440 H\n0.924244 0.538365 0.722560 H\n0.627654 0.293173 0.673194 H\n0.619979 -0.045540 0.326806 H\n0.293173 0.619979 0.665519 H\n-0.045540 0.627654 0.334481 H\n0.184195 0.798317 0.722560 H\n0.380021 0.045540 0.673194 H\n0.706827 0.380021 0.334481 H\n0.045540 0.372346 0.665519 H\n0.596351 0.433777 0.567341 H\n0.866436 0.029009 0.432659 H\n0.433777 0.866436 0.837427 H\n0.029009 0.596351 0.162573 H\n0.403650 0.566223 0.432659 H\n0.133564 -0.029009 0.567341 H\n0.372347 0.706827 0.326806 H\n0.566223 0.133564 0.162573 H\n-0.029009 0.403649 0.837427 H\n0.403310 0.706269 0.465979 C\n0.062669 0.596690 0.302959 C\n0.596690 0.293731 0.534021 C\n0.759710 0.062669 0.465979 C\n0.240290 0.937331 0.534021 C\n0.293731 0.759710 0.697041 C\n0.706269 0.240290 0.302959 C\n0.134579 0.185033 0.319612 C\n0.865422 0.814967 0.680388 C\n0.814967 0.134579 0.949546 C\n0.185033 0.865422 0.050454 C\n0.163788 0.163788 -0.000000 C\n0.836213 0.836213 -0.000000 C\n0.937331 0.403310 0.697041 C\n0.750000 0.250000 0.500000 N\n0.739270 0.739270 -0.000000 N\n0.260730 0.260730 0.000000 N\n0.292013 0.781802 0.073814 N\n0.707988 0.218198 0.926186 N\n0.218198 0.292012 0.510210 N\n0.781802 0.707988 0.489790 N\n0.250000 0.750000 0.500000 N\n",
"nsites": 48,
"nelements": 5,
"elements": [
"K",
"Mn",
"H",
"C",
"N"
],
"chemical_system": "C-H-K-Mn-N",
"density": 1.4583950068850353,
"density_atomic": 0.10580713253539828,
"volume": 453.6556170628797,
"volume_molar": 5.691620796911082,
"formula_full": "K1 Mn1 H24 C14 N8",
"formula_reduced": "KMnH24(C7N4)2",
"formula_anonymous": "ABC8D14E24",
"energy_above_hull": 5.177359192528736,
"spacegroup": 87
},
{
"id": "jvasp-52432",
"created_at": "2022-09-04T14:38:15.932884Z",
"updated_at": "2022-09-04T14:38:15.932911Z",
"structure_string": "K4 Mn2 H4 O2 F10\n1.0\n0.000000 5.889194 -0.038581\n8.223370 0.000000 0.000000\n0.000000 -0.692762 -6.043723\nK Mn H O F\n4 2 4 2 10\ndirect\n0.079505 0.750000 0.518370 K\n0.920494 0.250000 0.481630 K\n0.498558 0.750000 0.093650 K\n0.501441 0.250000 0.906350 K\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.624609 0.652861 0.619351 H\n0.375390 0.152860 0.380648 H\n0.375390 0.347140 0.380648 H\n0.624609 0.847140 0.619351 H\n0.443426 0.250000 0.457760 O\n0.556573 0.750000 0.542240 O\n0.207643 0.504185 0.264060 F\n0.792357 0.004185 0.735940 F\n0.792357 0.495815 0.735940 F\n0.207643 0.995815 0.264060 F\n0.243208 0.530876 0.831116 F\n0.756792 0.030876 0.168883 F\n0.756792 0.469124 0.168883 F\n0.243208 0.969124 0.831116 F\n0.958630 0.750000 0.028720 F\n0.041370 0.250000 0.971279 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Mn",
"H",
"O",
"F"
],
"chemical_system": "F-H-K-Mn-O",
"density": 2.790798430585365,
"density_atomic": 0.07510804136519816,
"volume": 292.91137939583996,
"volume_molar": 8.017970713306873,
"formula_full": "K4 Mn2 H4 O2 F10",
"formula_reduced": "K2MnH2OF5",
"formula_anonymous": "ABC2D2E5",
"energy_above_hull": 0.7987698321708465,
"spacegroup": 11
},
{
"id": "jvasp-55806",
"created_at": "2022-09-04T14:38:33.979343Z",
"updated_at": "2022-09-04T14:38:33.979366Z",
"structure_string": "K2 Mn2 P2 H4 O10\n1.0\n4.861874 0.000000 0.000000\n0.000000 5.703418 0.000000\n0.000000 0.000000 8.317321\nK Mn P H O\n2 2 2 4 10\ndirect\n0.628104 0.500000 0.458423 K\n0.128105 0.000000 0.541577 K\n0.522970 0.500000 0.019992 Mn\n0.022970 0.000000 0.980008 Mn\n0.083397 0.500000 0.778574 P\n0.583397 0.000000 0.221426 P\n0.073178 0.361382 0.202152 H\n0.573177 0.138618 0.797848 H\n0.073178 0.638618 0.202152 H\n0.573177 0.861382 0.797848 H\n0.725027 0.781519 0.138394 O\n0.194448 0.500000 0.214205 O\n0.694448 0.000000 0.785795 O\n0.272435 0.000000 0.184868 O\n0.772435 0.500000 0.815132 O\n0.635233 0.000000 0.402433 O\n0.135233 0.500000 0.597567 O\n0.725027 0.218482 0.138394 O\n0.225027 0.281519 0.861606 O\n0.225027 0.718482 0.861606 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"K",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-K-Mn-O-P",
"density": 2.9810914510577717,
"density_atomic": 0.08671767615306686,
"volume": 230.63348658810526,
"volume_molar": 6.9445366010157095,
"formula_full": "K2 Mn2 P2 H4 O10",
"formula_reduced": "KMnPH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.630113824137931,
"spacegroup": 31
},
{
"id": "jvasp-96979",
"created_at": "2022-09-04T14:36:37.958694Z",
"updated_at": "2022-09-04T14:36:37.958713Z",
"structure_string": "K8 Mn4 S4 O16 F12\n1.0\n7.208225 -0.177898 0.000000\n-0.203029 8.448589 0.000000\n0.000000 0.000000 10.762301\nK Mn S O F\n8 4 4 16 12\ndirect\n0.810539 0.172690 0.691444 K\n0.302041 0.822996 0.691640 K\n0.697958 0.177004 0.308360 K\n0.697958 0.677004 0.191640 K\n0.189460 0.327310 0.191444 K\n0.189460 0.827310 0.308555 K\n0.302041 0.322996 0.808360 K\n0.810539 0.672690 0.808555 K\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250366 0.683404 0.001522 S\n0.749633 0.816596 0.501522 S\n0.749633 0.316596 0.998478 S\n0.250366 0.183404 0.498478 S\n0.167100 0.089908 0.600226 O\n0.891610 0.221357 0.935718 O\n0.832899 0.410091 0.100226 O\n0.832899 0.910092 0.399774 O\n0.167100 0.589908 0.899774 O\n0.108390 0.778643 0.064282 O\n0.346001 0.090100 0.406280 O\n0.653998 0.409900 0.906280 O\n0.653998 0.909900 0.593720 O\n0.346001 0.590100 0.093720 O\n0.392462 0.300390 0.560552 O\n0.607537 0.199610 0.060552 O\n0.108390 0.278643 0.435718 O\n0.891610 0.721357 0.564282 O\n0.607537 0.699610 0.439448 O\n0.392462 0.800390 0.939448 O\n0.971707 0.553074 0.334764 F\n0.523228 0.562901 0.664427 F\n0.476771 0.437099 0.335573 F\n0.523228 0.062901 0.835573 F\n0.476771 0.937099 0.164427 F\n0.762066 0.387579 0.502237 F\n0.237933 0.112421 0.002237 F\n0.762066 0.887579 -0.002237 F\n0.028292 0.446925 0.665236 F\n0.971707 0.053074 0.165236 F\n0.028292 0.946926 0.834764 F\n0.237933 0.612421 0.497763 F\n",
"nsites": 44,
"nelements": 5,
"elements": [
"K",
"Mn",
"S",
"O",
"F"
],
"chemical_system": "F-K-Mn-O-S",
"density": 2.902065872268119,
"density_atomic": 0.06717267975797075,
"volume": 655.0282072791496,
"volume_molar": 8.965163786376126,
"formula_full": "K8 Mn4 S4 O16 F12",
"formula_reduced": "K2MnSO4F3",
"formula_anonymous": "ABC2D3E4",
"energy_above_hull": 1.2788898262617554,
"spacegroup": 14
},
{
"id": "jvasp-56689",
"created_at": "2022-09-04T14:37:06.968210Z",
"updated_at": "2022-09-04T14:37:06.968238Z",
"structure_string": "K2 Mo2 P2 Cl2 O10\n1.0\n6.486858 0.000000 0.000000\n0.000000 6.486858 -0.000000\n0.000000 0.000000 7.269173\nK Mo P Cl O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.098244 Mo\n0.500000 0.000000 0.901755 Mo\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.500000 0.000000 0.545870 Cl\n0.000000 0.500000 0.454129 Cl\n0.812294 0.000000 0.869159 O\n0.500000 0.687706 0.869159 O\n0.687706 0.500000 0.130841 O\n0.312294 0.500000 0.130841 O\n0.000000 0.812294 0.130841 O\n0.187706 0.000000 0.869159 O\n0.500000 0.312294 0.869159 O\n0.000000 0.500000 0.868522 O\n0.500000 0.000000 0.131478 O\n0.000000 0.187706 0.130841 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"Mo",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-K-Mo-O-P",
"density": 3.0559424481733086,
"density_atomic": 0.05884623990762427,
"volume": 305.8819055942413,
"volume_molar": 10.233688285697516,
"formula_full": "K2 Mo2 P2 Cl2 O10",
"formula_reduced": "KMoPClO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.4153867741666666,
"spacegroup": 129
},
{
"id": "jvasp-119097",
"created_at": "2022-09-04T14:38:34.387714Z",
"updated_at": "2022-09-04T14:38:34.387747Z",
"structure_string": "K6 Mo6 Se8 C6 N4\n1.0\n9.120568 0.045201 -2.396244\n-5.415364 7.338981 -2.396244\n-0.022681 -0.045201 9.430071\nK Mo Se C N\n6 6 8 6 4\ndirect\n0.871759 0.780881 0.652641 K\n0.128241 0.219119 0.347360 K\n0.780882 0.128241 0.909124 K\n0.219119 0.871759 0.090877 K\n0.250000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 K\n0.343073 0.554191 0.897264 Mo\n0.656927 0.445809 0.102737 Mo\n0.445810 0.343073 0.788882 Mo\n0.292319 0.292319 0.000000 Mo\n0.707681 0.707681 0.000001 Mo\n0.554191 0.656927 0.211119 Mo\n0.896342 0.789549 0.301990 Se\n0.210451 0.512440 0.106792 Se\n0.789549 0.487559 0.893209 Se\n0.405649 0.103659 0.893209 Se\n0.103659 0.210451 0.698011 Se\n0.594351 0.896341 0.106792 Se\n0.512441 0.405649 0.301990 Se\n0.607210 0.837529 0.444740 Se\n0.162471 0.607210 0.769680 C\n0.837530 0.392790 0.230321 C\n0.392790 0.162471 0.555261 C\n0.066115 0.066115 0.000000 C\n0.933885 0.933884 0.000001 C\n0.487560 0.594351 0.698011 C\n0.936813 0.366954 0.303768 N\n0.633047 0.936813 0.569861 N\n0.366954 0.063187 0.430141 N\n0.063187 0.633046 0.696233 N\n",
"nsites": 30,
"nelements": 5,
"elements": [
"K",
"Mo",
"Se",
"C",
"N"
],
"chemical_system": "C-K-Mo-N-Se",
"density": 4.1280432601079395,
"density_atomic": 0.04750250621081901,
"volume": 631.5456255478011,
"volume_molar": 12.677522178037036,
"formula_full": "K6 Mo6 Se8 C6 N4",
"formula_reduced": "K3Mo3C3(Se2N)2",
"formula_anonymous": "A2B3C3D3E4",
"energy_above_hull": 4.03386011111111,
"spacegroup": 1
},
{
"id": "jvasp-10008",
"created_at": "2022-09-04T14:38:11.974248Z",
"updated_at": "2022-09-04T14:38:11.974276Z",
"structure_string": "K2 Na1 Ag3 C6 N6\n1.0\n6.806039 -0.006092 -0.002661\n-3.396967 5.897696 -0.002661\n0.000073 0.000126 8.764739\nK Na Ag C N\n2 1 3 6 6\ndirect\n0.666724 0.333277 0.500000 K\n0.333276 0.666725 0.500000 K\n-0.000000 0.000000 0.500000 Na\n0.500000 0.500001 0.000000 Ag\n-0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.635927 0.000132 0.792004 C\n0.364073 0.999870 0.207996 C\n0.000131 0.635928 0.792004 C\n0.999869 0.364074 0.207996 C\n0.635626 0.635627 0.208183 C\n0.364374 0.364375 0.791818 C\n0.999809 0.294662 0.330231 N\n0.294661 0.999810 0.330231 N\n0.295048 0.295049 0.669506 N\n0.000191 0.705340 0.669770 N\n0.705339 0.000192 0.669770 N\n0.704952 0.704953 0.330494 N\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"Na",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-K-N-Na",
"density": 2.7431854092553167,
"density_atomic": 0.05118947263204585,
"volume": 351.6348005650592,
"volume_molar": 11.764412583985079,
"formula_full": "K2 Na1 Ag3 C6 N6",
"formula_reduced": "K2NaAg3(CN)6",
"formula_anonymous": "AB2C3D6E6",
"energy_above_hull": 4.448968682222223,
"spacegroup": 162
},
{
"id": "jvasp-96792",
"created_at": "2022-09-04T14:36:18.351512Z",
"updated_at": "2022-09-04T14:36:18.351538Z",
"structure_string": "K12 Na2 Au4 I2 O16\n1.0\n7.068512 0.000000 -0.371036\n0.000000 9.744818 0.000000\n0.031701 0.000000 10.115422\nK Na Au I O\n12 2 4 2 16\ndirect\n0.599493 0.664126 0.588587 K\n0.750000 0.351996 0.750000 K\n0.117324 0.820879 0.587002 K\n0.250000 0.155822 0.750000 K\n0.099493 0.335874 0.088587 K\n0.750000 0.844178 0.250000 K\n0.617324 0.179121 0.087002 K\n0.900506 0.664126 0.911412 K\n0.250000 0.648004 0.250000 K\n0.400506 0.335874 0.411412 K\n0.882675 0.179121 0.412998 K\n0.382675 0.820879 0.912998 K\n0.750000 0.505841 0.250000 Na\n0.250000 0.494159 0.750000 Na\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.250000 0.044494 0.250000 Au\n0.750000 0.955506 0.750000 Au\n-0.000000 0.500000 0.500000 I\n0.500000 0.500000 -0.000000 I\n0.410156 0.336018 0.907921 O\n0.045044 0.417853 0.332055 O\n0.027233 0.944214 0.810077 O\n0.972766 0.055787 0.189922 O\n0.545044 0.582148 0.832055 O\n0.253997 0.573306 0.513012 O\n0.954955 0.582148 0.667944 O\n0.089843 0.336018 0.592079 O\n0.910156 0.663983 0.407921 O\n0.454955 0.417853 0.167944 O\n0.472767 0.944214 0.689922 O\n0.527233 0.055787 0.310077 O\n0.246002 0.573306 0.986987 O\n0.589843 0.663983 0.092079 O\n0.746002 0.426694 0.486987 O\n0.753997 0.426694 0.013012 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"K",
"Na",
"Au",
"I",
"O"
],
"chemical_system": "Au-I-K-Na-O",
"density": 4.3196419029979065,
"density_atomic": 0.051658920399409725,
"volume": 696.8786750024948,
"volume_molar": 11.65750409307588,
"formula_full": "K12 Na2 Au4 I2 O16",
"formula_reduced": "K6NaAu2IO8",
"formula_anonymous": "ABC2D6E8",
"energy_above_hull": 0.8753364675,
"spacegroup": 13
},
{
"id": "jvasp-52430",
"created_at": "2022-09-04T14:38:15.155317Z",
"updated_at": "2022-09-04T14:38:15.155341Z",
"structure_string": "K4 Na2 Fe1 H3 F12\n1.0\n0.000000 5.751218 -0.007468\n5.915750 0.000000 0.000000\n0.000000 -0.572973 -8.351328\nK Na Fe H F\n4 2 1 3 12\ndirect\n0.946319 0.499294 0.244050 K\n0.515821 0.985164 0.731543 K\n0.053682 0.499294 0.755951 K\n0.484180 0.985164 0.268458 K\n0.000000 0.008296 0.000000 Na\n0.500000 0.486966 0.500000 Na\n0.000000 0.990162 0.500000 Fe\n0.631384 0.389656 0.874116 H\n0.368617 0.389656 0.125884 H\n0.500000 0.754547 0.000000 H\n0.700409 0.771739 0.011750 F\n0.299592 0.771739 0.988251 F\n0.469509 0.475799 0.236713 F\n0.530492 0.475799 0.763287 F\n0.744265 0.289340 0.963901 F\n0.230877 0.763085 0.504300 F\n0.230059 0.215211 0.504906 F\n0.011425 0.990726 0.725558 F\n0.988576 0.990726 0.274442 F\n0.769124 0.763085 0.495701 F\n0.255736 0.289340 0.036100 F\n0.769942 0.215211 0.495094 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Na",
"Fe",
"H",
"F"
],
"chemical_system": "F-Fe-H-K-Na",
"density": 2.8588512321528827,
"density_atomic": 0.07742100569941612,
"volume": 284.16060733457914,
"volume_molar": 7.778432617345109,
"formula_full": "K4 Na2 Fe1 H3 F12",
"formula_reduced": "K4Na2FeH3F12",
"formula_anonymous": "AB2C3D4E12",
"energy_above_hull": 0.1322440404545458,
"spacegroup": 3
}
]
}