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=density&page=518",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=516",
"results": [
{
"id": "jvasp-122457",
"created_at": "2022-09-04T14:38:54.109747Z",
"updated_at": "2022-09-04T14:38:54.109787Z",
"structure_string": "V3 P4 S12\n1.0\n5.937289 -0.007675 0.443153\n-3.062353 5.086595 0.443153\n0.070821 0.125113 12.672518\nV P S\n3 4 12\ndirect\n0.831005 0.168993 0.500000 V\n0.671771 0.328229 -0.000000 V\n0.173737 0.826264 0.500000 V\n0.966446 0.972509 0.087125 P\n0.471255 0.466912 0.587723 P\n0.533088 0.528745 0.412277 P\n0.027491 0.033554 0.912875 P\n0.113425 0.108752 0.621158 S\n0.633061 0.611123 0.126952 S\n0.007534 0.696446 0.873460 S\n0.545210 0.197345 0.376008 S\n0.719023 0.073890 0.873733 S\n0.926108 0.280976 0.126266 S\n0.459016 0.797302 0.625169 S\n0.891248 0.886574 0.378842 S\n0.802654 0.454790 0.623992 S\n0.303554 -0.007534 0.126540 S\n0.202699 0.540985 0.374831 S\n0.388877 0.366939 0.873048 S\n",
"nsites": 19,
"nelements": 3,
"elements": [
"V",
"P",
"S"
],
"chemical_system": "P-S-V",
"density": 2.877314818601998,
"density_atomic": 0.04976939186577037,
"volume": 381.7607426517005,
"volume_molar": 12.100089099424611,
"formula_full": "V3 P4 S12",
"formula_reduced": "V3(PS3)4",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 3.139957610526316,
"spacegroup": 5
},
{
"id": "jvasp-87240",
"created_at": "2022-09-04T14:35:51.489589Z",
"updated_at": "2022-09-04T14:35:51.489617Z",
"structure_string": "Rb6 Mg6 F18\n1.0\n6.854623 0.000000 -0.000000\n-3.427312 5.936278 0.000000\n-0.000000 -0.000000 14.191360\nRb Mg F\n6 6 18\ndirect\n0.333333 0.666667 0.139453 Rb\n0.333333 0.666667 0.360547 Rb\n0.666667 0.333333 0.860547 Rb\n0.666667 0.333333 0.639453 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.842112 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.157888 Mg\n0.333333 0.666667 0.657888 Mg\n0.666667 0.333333 0.342112 Mg\n0.543732 0.087465 0.250000 F\n0.912534 0.456267 0.250000 F\n0.456267 0.543733 0.750000 F\n0.087466 0.543733 0.750000 F\n0.865498 0.134502 0.915096 F\n0.134502 0.269005 0.084904 F\n0.269005 0.134502 0.584904 F\n0.134502 0.269005 0.415096 F\n0.730995 0.865498 0.415096 F\n0.456268 0.912535 0.750000 F\n0.865498 0.134502 0.584904 F\n0.134502 0.865498 0.084904 F\n0.269005 0.134502 0.915096 F\n0.865498 0.730995 0.915096 F\n0.730995 0.865498 0.084904 F\n0.543733 0.456267 0.250000 F\n0.134502 0.865498 0.415096 F\n0.865498 0.730995 0.584904 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"F"
],
"chemical_system": "F-Mg-Rb",
"density": 2.8773405829189023,
"density_atomic": 0.051951660430401225,
"volume": 577.4598877391128,
"volume_molar": 11.591815757395784,
"formula_full": "Rb6 Mg6 F18",
"formula_reduced": "RbMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.127516,
"spacegroup": 194
},
{
"id": "jvasp-33034",
"created_at": "2022-09-04T14:37:31.442205Z",
"updated_at": "2022-09-04T14:37:31.442229Z",
"structure_string": "Hg1 H12 Cl2 O14\n1.0\n7.911743 -0.000027 -0.000004\n-3.955895 6.851701 -0.000054\n-0.000001 -0.000043 5.403399\nHg H Cl O\n1 12 2 14\ndirect\n0.000000 0.000000 0.000000 Hg\n0.356009 0.278529 0.265151 H\n0.922523 0.643988 0.265147 H\n0.721468 0.077485 0.265145 H\n0.356008 0.077478 0.265150 H\n0.721471 0.643984 0.265143 H\n0.922521 0.278537 0.265149 H\n0.643991 0.721471 0.734851 H\n0.077477 0.356012 0.734854 H\n0.278532 0.922514 0.734856 H\n0.643993 0.922522 0.734851 H\n0.278529 0.356016 0.734858 H\n0.077479 0.721463 0.734854 H\n0.333335 0.666667 0.188297 Cl\n0.666666 0.333332 0.811705 Cl\n0.666665 0.333333 0.080462 O\n0.272486 0.136242 0.273929 O\n0.863759 0.727514 0.273931 O\n0.863756 0.136246 0.273937 O\n0.727514 0.863757 0.726073 O\n0.136241 0.272486 0.726071 O\n0.136244 0.863754 0.726065 O\n0.867323 0.433662 0.720134 O\n0.566336 0.132674 0.720128 O\n0.566339 0.433661 0.720136 O\n0.132677 0.566337 0.279868 O\n0.433664 0.867325 0.279873 O\n0.433662 0.566337 0.279866 O\n0.333335 0.666667 0.919539 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Hg",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Hg-O",
"density": 2.8775263326206333,
"density_atomic": 0.09900593771552324,
"volume": 292.91172498488504,
"volume_molar": 6.082605648666851,
"formula_full": "Hg1 H12 Cl2 O14",
"formula_reduced": "HgH12(ClO7)2",
"formula_anonymous": "AB2C12D14",
"energy_above_hull": 2.777338680517241,
"spacegroup": 164
},
{
"id": "jvasp-50351",
"created_at": "2022-09-04T14:35:47.154981Z",
"updated_at": "2022-09-04T14:35:47.155017Z",
"structure_string": "Na6 As2 O8\n1.0\n5.576457 0.000000 0.000000\n0.000000 6.086297 0.000000\n0.000000 0.000000 7.069238\nNa As O\n6 2 8\ndirect\n0.508934 0.845582 0.000000 Na\n0.006579 0.675447 0.244492 Na\n0.506579 0.324554 0.255508 Na\n0.008933 0.154419 0.500000 Na\n0.506579 0.324554 0.744492 Na\n0.006579 0.675447 0.755508 Na\n0.997266 0.177232 0.000000 As\n0.497266 0.822769 0.500000 As\n0.095518 0.908184 0.000000 O\n0.688714 0.182657 0.000000 O\n0.598062 0.689197 0.298991 O\n0.098061 0.310804 0.201009 O\n0.188713 0.817343 0.500000 O\n0.595519 0.091816 0.500000 O\n0.098061 0.310804 0.798991 O\n0.598062 0.689197 0.701009 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"As",
"O"
],
"chemical_system": "As-Na-O",
"density": 2.877567188832033,
"density_atomic": 0.06668618614292932,
"volume": 239.92975045396963,
"volume_molar": 9.030567060909245,
"formula_full": "Na6 As2 O8",
"formula_reduced": "Na3AsO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.20462534375,
"spacegroup": 31
},
{
"id": "jvasp-56177",
"created_at": "2022-09-04T14:37:04.847685Z",
"updated_at": "2022-09-04T14:37:04.847727Z",
"structure_string": "Mn2 Ru1 C6 N6\n1.0\n2.999684 -5.195604 0.000000\n2.999683 5.195604 -0.000000\n0.000000 -0.000000 6.795122\nMn Ru C N\n2 1 6 6\ndirect\n0.333333 0.666666 0.500001 Mn\n0.666666 0.333333 0.499998 Mn\n0.000000 0.000000 0.000000 Ru\n0.259548 0.000001 0.813862 C\n0.740451 -0.000001 0.186138 C\n-0.000001 0.259547 0.813862 C\n0.740452 0.740451 0.813862 C\n0.259547 0.259548 0.186138 C\n0.000001 0.740452 0.186138 C\n0.390217 0.390227 0.316593 N\n0.000010 0.609782 0.316593 N\n-0.000010 0.390217 0.683407 N\n0.609772 -0.000010 0.316593 N\n0.390227 0.000010 0.683407 N\n0.609782 0.609772 0.683407 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Mn",
"Ru",
"C",
"N"
],
"chemical_system": "C-Mn-N-Ru",
"density": 2.8776380990341166,
"density_atomic": 0.07081944650739054,
"volume": 211.80623034712136,
"volume_molar": 8.503512886635656,
"formula_full": "Mn2 Ru1 C6 N6",
"formula_reduced": "Mn2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 6.642042298850574,
"spacegroup": 162
},
{
"id": "jvasp-86320",
"created_at": "2022-09-04T14:36:08.163576Z",
"updated_at": "2022-09-04T14:36:08.163609Z",
"structure_string": "Rb2 N6\n1.0\n-3.153682 -3.153682 3.698376\n-3.153682 3.153682 -3.698376\n3.153682 -3.153682 -3.698376\nRb N\n2 6\ndirect\n0.000000 0.750001 0.750001 Rb\n0.000000 0.250000 0.250000 Rb\n0.500000 -0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.233750 0.866875 0.366875 N\n0.766250 0.133125 0.633125 N\n0.500000 0.633126 0.866875 N\n0.500000 0.366875 0.133125 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"N"
],
"chemical_system": "N-Rb",
"density": 2.8776714521246776,
"density_atomic": 0.05437297987249676,
"volume": 147.1319029922545,
"volume_molar": 11.075612876325273,
"formula_full": "Rb2 N6",
"formula_reduced": "RbN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5729974375000007,
"spacegroup": 140
},
{
"id": "jvasp-46516",
"created_at": "2022-09-04T14:38:29.417124Z",
"updated_at": "2022-09-04T14:38:29.417154Z",
"structure_string": "Li5 Mn1 O5\n1.0\n4.002606 -0.000187 0.000124\n-2.001085 4.616548 0.008527\n-0.000063 -1.804726 5.293765\nLi Mn O\n5 1 5\ndirect\n0.682614 0.361501 0.876676 Li\n0.696925 0.392892 0.348740 Li\n0.292119 0.583274 0.681846 Li\n0.309175 0.614636 0.153886 Li\n0.008252 0.988075 0.515284 Li\n0.945733 0.988079 0.015286 Mn\n0.145327 0.272486 0.847556 O\n0.513667 0.988069 0.015287 O\n0.154542 0.298156 0.327151 O\n0.844474 0.677993 0.703416 O\n0.860901 0.703657 0.183009 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.8779685186865387,
"density_atomic": 0.11238316213135452,
"volume": 97.87943132569178,
"volume_molar": 5.358579208655176,
"formula_full": "Li5 Mn1 O5",
"formula_reduced": "Li5MnO5",
"formula_anonymous": "AB5C5",
"energy_above_hull": 1.992365885579937,
"spacegroup": 5
},
{
"id": "jvasp-99024",
"created_at": "2022-09-04T14:36:21.337652Z",
"updated_at": "2022-09-04T14:36:21.337679Z",
"structure_string": "Na12 Fe4 C8 S2 O32\n1.0\n8.530676 -0.000000 4.925188\n2.843559 8.042798 4.925188\n-0.000000 -0.000000 9.850376\nNa Fe C S O\n12 4 8 2 32\ndirect\n0.908945 0.908945 0.341055 Na\n0.908945 0.341055 0.908945 Na\n0.908945 0.341055 0.341055 Na\n0.341055 0.341055 0.908945 Na\n0.341055 0.908945 0.341055 Na\n0.341055 0.908945 0.908945 Na\n0.658945 0.091055 0.091055 Na\n0.091055 0.658945 0.091055 Na\n0.091055 0.091055 0.658945 Na\n0.658945 0.658945 0.091055 Na\n0.658945 0.091055 0.658945 Na\n0.091055 0.658945 0.658945 Na\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.280545 0.280545 0.658364 C\n0.280545 0.280545 0.280545 C\n0.719455 0.719455 0.341636 C\n0.719455 0.341636 0.719455 C\n0.341636 0.719455 0.719455 C\n0.719455 0.719455 0.719455 C\n0.280545 0.658364 0.280545 C\n0.658364 0.280545 0.280545 C\n0.875000 0.875000 0.875000 S\n0.125000 0.125000 0.125000 S\n0.861701 0.339788 0.601333 O\n0.138299 0.660212 0.398667 O\n0.660212 0.138299 0.302822 O\n0.302822 0.398667 0.660212 O\n0.339789 0.697178 0.601333 O\n0.861701 0.601333 0.697178 O\n0.697178 0.861701 0.601333 O\n0.339789 0.601333 0.861701 O\n0.138299 0.302822 0.660212 O\n0.601333 0.697178 0.861701 O\n0.697178 0.339788 0.861701 O\n0.660212 0.302822 0.398667 O\n0.660212 0.398667 0.138299 O\n0.861701 0.697178 0.339789 O\n0.310499 0.063167 0.063167 O\n0.601333 0.861701 0.339789 O\n0.339789 0.861701 0.697178 O\n0.697178 0.601333 0.339789 O\n0.601333 0.339788 0.697178 O\n0.936833 0.936833 0.936833 O\n0.689502 0.936833 0.936833 O\n0.398667 0.138299 0.660212 O\n0.936833 0.936833 0.689502 O\n0.398667 0.660212 0.302822 O\n0.936833 0.689502 0.936833 O\n0.063167 0.310498 0.063167 O\n0.063167 0.063167 0.310499 O\n0.398667 0.302822 0.138299 O\n0.138299 0.398667 0.302822 O\n0.302822 0.138299 0.398667 O\n0.302823 0.660212 0.138299 O\n0.063167 0.063167 0.063167 O\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Na",
"Fe",
"C",
"S",
"O"
],
"chemical_system": "C-Fe-Na-O-S",
"density": 2.8782650442906066,
"density_atomic": 0.0858192226674827,
"volume": 675.8392606832184,
"volume_molar": 7.017239929256338,
"formula_full": "Na12 Fe4 C8 S2 O32",
"formula_reduced": "Na6Fe2C4SO16",
"formula_anonymous": "AB2C4D6E16",
"energy_above_hull": 2.920747620689656,
"spacegroup": 203
},
{
"id": "jvasp-63256",
"created_at": "2022-09-04T14:35:56.151020Z",
"updated_at": "2022-09-04T14:35:56.151036Z",
"structure_string": "K6 Nd2 As4 S16\n1.0\n9.367124 5.216743 -0.050177\n-9.367124 5.216743 -0.050177\n0.000000 3.941889 7.847411\nK Nd As S\n6 2 4 16\ndirect\n0.263587 0.736413 0.750000 K\n0.736413 0.263587 0.250000 K\n0.003279 0.996721 0.750000 K\n0.996721 0.003279 0.250000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 K\n0.243045 0.756954 0.250000 Nd\n0.756955 0.243045 0.750000 Nd\n0.339821 0.098875 0.893093 As\n0.660179 0.901125 0.106906 As\n0.901125 0.660179 0.606906 As\n0.098875 0.339821 0.393094 As\n0.529805 0.871465 0.936824 S\n0.490894 0.140680 0.645209 S\n0.859320 0.509106 0.854790 S\n0.871465 0.529805 0.436824 S\n0.470194 0.128535 0.063175 S\n0.128535 0.470194 0.563175 S\n0.153471 0.871484 0.486879 S\n0.751562 0.737893 0.629074 S\n0.846529 0.128516 0.513121 S\n0.871484 0.153471 0.986879 S\n0.248438 0.262107 0.370925 S\n0.737892 0.751562 0.129074 S\n0.140680 0.490894 0.145209 S\n0.262107 0.248438 0.870925 S\n0.128516 0.846529 0.013121 S\n0.509106 0.859320 0.354790 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Nd",
"As",
"S"
],
"chemical_system": "As-K-Nd-S",
"density": 2.878294637342492,
"density_atomic": 0.03633311874806969,
"volume": 770.6467532872496,
"volume_molar": 16.574797230474317,
"formula_full": "K6 Nd2 As4 S16",
"formula_reduced": "K3Nd(AsS4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.5751577857142858,
"spacegroup": 15
},
{
"id": "jvasp-87116",
"created_at": "2022-09-04T14:36:20.297537Z",
"updated_at": "2022-09-04T14:36:20.297560Z",
"structure_string": "Ca2 Al2 F10\n1.0\n5.097780 0.005467 1.853332\n1.122473 4.972670 1.853332\n0.002884 0.002308 7.379521\nCa Al F\n2 2 10\ndirect\n0.455607 0.544393 0.250000 Ca\n0.544391 0.455608 0.750000 Ca\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.798625 0.755854 0.614881 F\n0.244146 0.201375 0.885119 F\n0.201373 0.244147 0.385120 F\n0.755853 0.798627 0.114881 F\n0.939111 0.060889 0.750000 F\n0.060887 0.939112 0.250000 F\n0.729876 0.298454 0.027060 F\n0.701546 0.270125 0.472940 F\n0.270123 0.701547 0.972940 F\n0.298453 0.729876 0.527060 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 2.8783240739803517,
"density_atomic": 0.07487475786719504,
"volume": 186.9789018193785,
"volume_molar": 8.042951899332268,
"formula_full": "Ca2 Al2 F10",
"formula_reduced": "CaAlF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-86995",
"created_at": "2022-09-04T14:36:18.094567Z",
"updated_at": "2022-09-04T14:36:18.094593Z",
"structure_string": "Rb2 N6\n1.0\n-3.153323 -3.153323 3.698080\n-3.153323 3.153323 -3.698080\n3.153323 -3.153323 -3.698080\nRb N\n2 6\ndirect\n0.000000 0.750000 0.750000 Rb\n0.000000 0.250000 0.250000 Rb\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.233722 0.866861 0.366861 N\n0.766277 0.133139 0.633138 N\n0.500000 0.633139 0.866861 N\n0.500000 0.366861 0.133139 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"N"
],
"chemical_system": "N-Rb",
"density": 2.8785571102734875,
"density_atomic": 0.054389714191719896,
"volume": 147.08663428163212,
"volume_molar": 11.072205194482876,
"formula_full": "Rb2 N6",
"formula_reduced": "RbN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5729974375000007,
"spacegroup": 140
},
{
"id": "jvasp-2862",
"created_at": "2022-09-04T14:36:31.206559Z",
"updated_at": "2022-09-04T14:36:31.206599Z",
"structure_string": "K2 Li2 Se2\n1.0\n4.475019 0.000000 0.000000\n0.000000 4.475019 0.000000\n0.000000 0.000000 7.201205\nK Li Se\n2 2 2\ndirect\n0.500000 0.000000 0.659098 K\n0.000000 0.500000 0.340901 K\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.193083 Se\n0.000000 0.500000 0.806916 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Li",
"Se"
],
"chemical_system": "K-Li-Se",
"density": 2.878669010605908,
"density_atomic": 0.0416060329681276,
"volume": 144.20985544563487,
"volume_molar": 14.474200807881095,
"formula_full": "K2 Li2 Se2",
"formula_reduced": "KLiSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
}
]
}