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=524",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=522",
"results": [
{
"id": "jvasp-23445",
"created_at": "2022-09-04T14:37:38.767663Z",
"updated_at": "2022-09-04T14:37:38.767688Z",
"structure_string": "Sc4 V2 B4 Ir10\n1.0\n9.296206 0.000000 0.000000\n0.000000 9.296206 -0.000000\n0.000000 0.000000 3.160453\nSc V B Ir\n4 2 4 10\ndirect\n0.176087 0.676088 0.000000 Sc\n0.823913 0.323913 0.000000 Sc\n0.323913 0.176087 0.000000 Sc\n0.676088 0.823913 0.000000 Sc\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.122268 0.377732 0.000000 B\n0.622269 0.122268 0.000000 B\n0.377732 0.877732 0.000000 B\n0.877732 0.622269 0.000000 B\n0.215045 0.928611 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.715045 0.571389 0.500000 Ir\n0.571389 0.284955 0.500000 Ir\n0.428611 0.715045 0.500000 Ir\n0.284955 0.428611 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.928611 0.784955 0.500000 Ir\n0.784955 0.071389 0.500000 Ir\n0.071389 0.215045 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"V",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sc-V",
"density": 13.662012354624908,
"density_atomic": 0.07322665257521371,
"volume": 273.1245973514532,
"volume_molar": 8.223973851343871,
"formula_full": "Sc4 V2 B4 Ir10",
"formula_reduced": "Sc2VB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 4.912020536666667,
"spacegroup": 127
},
{
"id": "jvasp-57069",
"created_at": "2022-09-04T14:37:45.294818Z",
"updated_at": "2022-09-04T14:37:45.294847Z",
"structure_string": "Ba2 Ga4 B4 O14\n1.0\n5.844336 -0.000000 -0.000000\n-0.000000 7.050121 -2.116898\n-0.000000 0.022333 7.361043\nBa Ga B O\n2 4 4 14\ndirect\n0.750000 0.195753 0.195753 Ba\n0.250000 0.804247 0.804246 Ba\n0.750000 0.126590 0.709797 Ga\n0.250000 0.290202 0.873410 Ga\n0.750000 0.709797 0.126590 Ga\n0.250000 0.873410 0.290202 Ga\n0.250000 0.504818 0.282474 B\n0.750000 0.495182 0.717525 B\n0.750000 0.717525 0.495182 B\n0.250000 0.282474 0.504818 B\n0.750000 0.585949 0.319902 O\n0.750000 0.905697 0.507835 O\n0.750000 0.507835 0.905697 O\n0.250000 0.680097 0.414050 O\n0.250000 0.094303 0.492164 O\n0.250000 0.334405 0.334405 O\n0.750000 0.665594 0.665594 O\n0.500000 0.867494 0.132506 O\n0.750000 0.319902 0.585949 O\n0.000000 0.867494 0.132506 O\n0.250000 0.414050 0.680097 O\n0.500000 0.132506 0.867494 O\n0.000000 0.132506 0.867494 O\n0.250000 0.492164 0.094303 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"B",
"O"
],
"chemical_system": "B-Ba-Ga-O",
"density": 4.489625874142044,
"density_atomic": 0.07905779266932368,
"volume": 303.5753869373155,
"volume_molar": 7.6173904641999135,
"formula_full": "Ba2 Ga4 B4 O14",
"formula_reduced": "BaGa2B2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.301849190555556,
"spacegroup": 63
},
{
"id": "jvasp-12359",
"created_at": "2022-09-04T14:37:45.294988Z",
"updated_at": "2022-09-04T14:37:45.295011Z",
"structure_string": "K2 Pb1 S2 O8\n1.0\n5.169288 0.023946 5.586138\n2.204003 4.675948 5.586138\n0.037567 0.023946 7.610852\nK Pb S O\n2 1 2 8\ndirect\n0.798793 0.798796 0.798793 K\n0.201206 0.201207 0.201206 K\n0.000000 0.000000 0.000000 Pb\n0.597489 0.597491 0.597489 S\n0.402510 0.402511 0.402510 S\n0.719951 0.719953 0.278890 O\n0.719951 0.278892 0.719951 O\n0.278890 0.719953 0.719951 O\n0.721109 0.280050 0.280048 O\n0.280048 0.280050 0.721109 O\n0.331234 0.331235 0.331234 O\n0.668765 0.668767 0.668765 O\n0.280048 0.721110 0.280049 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"K",
"Pb",
"S",
"O"
],
"chemical_system": "K-O-Pb-S",
"density": 4.352294680897387,
"density_atomic": 0.07135416763872834,
"volume": 182.18977853991657,
"volume_molar": 8.439788395389268,
"formula_full": "K2 Pb1 S2 O8",
"formula_reduced": "K2Pb(SO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 1.8894942169230768,
"spacegroup": 166
},
{
"id": "jvasp-29467",
"created_at": "2022-09-04T14:37:56.848001Z",
"updated_at": "2022-09-04T14:37:56.848031Z",
"structure_string": "Bi4 Te4 I4 O12\n1.0\n7.100558 0.000000 0.000000\n0.000000 7.809202 -2.012399\n0.000000 0.032756 9.144858\nBi Te I O\n4 4 4 12\ndirect\n0.133426 0.672709 0.405855 Bi\n0.866574 0.327291 0.594146 Bi\n0.633426 0.827291 0.594145 Bi\n0.366574 0.172710 0.405855 Bi\n0.820261 0.993294 0.261175 Te\n0.179739 0.006706 0.738825 Te\n0.679739 0.493295 0.261175 Te\n0.320261 0.506706 0.738825 Te\n0.659710 0.145802 0.869862 I\n0.840291 0.645802 0.869862 I\n0.340290 0.854198 0.130138 I\n0.159710 0.354198 0.130138 I\n0.879710 0.770782 0.287116 O\n0.506705 0.375001 0.611034 O\n0.651691 0.031341 0.434773 O\n0.151690 0.468660 0.565227 O\n0.120290 0.229218 0.712885 O\n0.006705 0.124999 0.388967 O\n0.348310 0.968659 0.565227 O\n0.993296 0.875001 0.611034 O\n0.620290 0.270782 0.287116 O\n0.848310 0.531341 0.434773 O\n0.493296 0.624999 0.388966 O\n0.379710 0.729218 0.712884 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Bi",
"Te",
"I",
"O"
],
"chemical_system": "Bi-I-O-Te",
"density": 6.693658671446177,
"density_atomic": 0.04728620409599145,
"volume": 507.54761264574694,
"volume_molar": 12.73551319064435,
"formula_full": "Bi4 Te4 I4 O12",
"formula_reduced": "BiTeIO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.4305514736111111,
"spacegroup": 14
},
{
"id": "jvasp-25783",
"created_at": "2022-09-04T14:37:37.993946Z",
"updated_at": "2022-09-04T14:37:37.993974Z",
"structure_string": "Na4 Ca6 Si6 O20\n1.0\n5.172452 0.000000 -0.000000\n-2.586226 8.161291 -0.410955\n-0.000000 0.004919 11.375659\nNa Ca Si O\n4 6 6 20\ndirect\n0.723688 0.913585 0.034344 Na\n0.189896 0.913585 0.534344 Na\n0.810103 0.086415 0.465656 Na\n0.276311 0.086415 0.965656 Na\n0.085203 0.696480 0.792011 Ca\n0.611277 0.696480 0.292011 Ca\n-0.000000 0.500000 0.500000 Ca\n0.388722 0.303520 0.707989 Ca\n0.914796 0.303520 0.207989 Ca\n0.499999 0.500000 0.000000 Ca\n0.463039 0.302909 0.397195 Si\n0.839869 0.302909 0.897195 Si\n0.536960 0.697091 0.602805 Si\n0.160130 0.697091 0.102805 Si\n0.795182 0.000000 0.750000 Si\n0.204818 0.000000 0.250000 Si\n0.080130 0.087382 0.150379 O\n0.236513 0.544510 0.162303 O\n0.763486 0.455490 0.837697 O\n0.348424 0.864681 0.185351 O\n0.153743 0.310669 0.391313 O\n0.843074 0.689331 0.108688 O\n0.307996 0.544510 0.662303 O\n0.992747 0.912618 0.349622 O\n0.846255 0.689331 0.608688 O\n0.581171 0.282237 0.527351 O\n0.701066 0.282237 0.027351 O\n0.516257 0.864682 0.685351 O\n0.418828 0.717763 0.472649 O\n0.483742 0.135318 0.314650 O\n0.007252 0.087382 0.650379 O\n0.919869 0.912618 0.849622 O\n0.651575 0.135319 0.814650 O\n0.156925 0.310669 0.891313 O\n0.298933 0.717763 0.972649 O\n0.692003 0.455490 0.337697 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Na",
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-Na-O-Si",
"density": 2.838656569460492,
"density_atomic": 0.07496544908939053,
"volume": 480.22122774283355,
"volume_molar": 8.033221748353778,
"formula_full": "Na4 Ca6 Si6 O20",
"formula_reduced": "Na2Ca3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 1.9815250033333327,
"spacegroup": 15
},
{
"id": "jvasp-40991",
"created_at": "2022-09-04T14:37:57.430102Z",
"updated_at": "2022-09-04T14:37:57.430126Z",
"structure_string": "Li6 Mn2 P4 O16\n1.0\n0.000000 4.759844 0.001694\n9.059485 0.000000 0.000000\n0.000000 -4.318854 -6.417132\nLi Mn P O\n6 2 4 16\ndirect\n0.336499 0.131255 0.332143 Li\n0.000000 0.500000 0.000000 Li\n0.663501 0.631256 0.167858 Li\n0.000000 0.000000 0.500000 Li\n0.336499 0.368745 0.832143 Li\n0.663502 0.868745 0.667858 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.167521 0.822015 0.192189 P\n0.832479 0.322015 0.307812 P\n0.167522 0.677986 0.692189 P\n0.832479 0.177985 0.807812 P\n0.465595 0.651232 0.662308 O\n0.827328 0.879642 0.992336 O\n0.534405 0.151232 0.837692 O\n0.172673 0.379642 0.507664 O\n0.754295 0.407360 0.116540 O\n0.874349 0.154792 0.291787 O\n0.125651 0.845209 0.708213 O\n0.754295 0.092640 0.616539 O\n0.827327 0.620359 0.492336 O\n0.465595 0.848769 0.162308 O\n0.172673 0.120359 0.007664 O\n0.534405 0.348768 0.337693 O\n0.245705 0.907360 0.383461 O\n0.874349 0.345209 0.791787 O\n0.245706 0.592640 0.883461 O\n0.125651 0.654792 0.208213 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.1896544898150294,
"density_atomic": 0.1012103356655743,
"volume": 276.6515871710909,
"volume_molar": 5.950124283648998,
"formula_full": "Li6 Mn2 P4 O16",
"formula_reduced": "Li3Mn(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.618425445812808,
"spacegroup": 14
},
{
"id": "jvasp-59670",
"created_at": "2022-09-04T14:37:45.288494Z",
"updated_at": "2022-09-04T14:37:45.288505Z",
"structure_string": "K4 Cd2 C8 N8\n1.0\n7.861759 0.000000 4.538988\n2.620586 7.412137 4.538988\n0.000000 0.000000 9.077976\nK Cd C N\n4 2 8 8\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 K\n0.125000 0.125000 0.125000 Cd\n0.875001 0.875000 0.875000 Cd\n0.775456 0.775456 0.173632 C\n0.224545 0.826369 0.224544 C\n0.173632 0.775456 0.775456 C\n0.775456 0.173632 0.775456 C\n0.826369 0.224544 0.224544 C\n0.224544 0.224544 0.826369 C\n0.775456 0.775456 0.775456 C\n0.224544 0.224544 0.224544 C\n0.331400 0.722867 0.722867 N\n0.722867 0.331399 0.722867 N\n0.722867 0.722867 0.722867 N\n0.277133 0.668601 0.277133 N\n0.277133 0.277133 0.668601 N\n0.277133 0.277133 0.277133 N\n0.722867 0.722867 0.331399 N\n0.668601 0.277133 0.277133 N\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Cd",
"C",
"N"
],
"chemical_system": "C-Cd-K-N",
"density": 1.8500072615477,
"density_atomic": 0.04158823469852342,
"volume": 528.9957642943932,
"volume_molar": 14.480395245566445,
"formula_full": "K4 Cd2 C8 N8",
"formula_reduced": "K2Cd(CN)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 4.499194431818182,
"spacegroup": 227
},
{
"id": "jvasp-15910",
"created_at": "2022-09-04T14:37:45.284764Z",
"updated_at": "2022-09-04T14:37:45.284784Z",
"structure_string": "Li1 Mg1 Sb1 Pd1\n1.0\n4.013378 -0.000000 2.317125\n1.337793 3.783849 2.317125\n0.000000 0.000000 4.634250\nLi Mg Sb Pd\n1 1 1 1\ndirect\n0.750000 0.750000 0.749999 Li\n0.500000 0.500000 0.499999 Mg\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Sb",
"Pd"
],
"chemical_system": "Li-Mg-Pd-Sb",
"density": 6.121238142044441,
"density_atomic": 0.05683772286449555,
"volume": 70.37579618620953,
"volume_molar": 10.595323768260624,
"formula_full": "Li1 Mg1 Sb1 Pd1",
"formula_reduced": "LiMgSbPd",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.6360777125,
"spacegroup": 216
},
{
"id": "jvasp-35434",
"created_at": "2022-09-04T14:37:39.977174Z",
"updated_at": "2022-09-04T14:37:39.977201Z",
"structure_string": "Sm2 Re2 Si2 C1\n1.0\n0.000000 -4.045357 -0.000000\n4.399909 -2.022679 -3.382588\n4.369139 -2.022679 3.702812\nSm Re Si C\n2 2 2 1\ndirect\n0.427795 0.843362 0.301049 Sm\n0.572206 0.156638 0.698951 Sm\n0.794583 0.320808 0.090028 Re\n0.205418 0.679192 0.909972 Re\n0.854410 0.601341 0.689840 Si\n0.145591 0.398660 0.310159 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sm",
"Re",
"Si",
"C"
],
"chemical_system": "C-Re-Si-Sm",
"density": 9.793541081427605,
"density_atomic": 0.05569106126594493,
"volume": 125.69342082695232,
"volume_molar": 10.813478183226035,
"formula_full": "Sm2 Re2 Si2 C1",
"formula_reduced": "Sm2Re2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.680078707142857,
"spacegroup": 12
},
{
"id": "jvasp-23195",
"created_at": "2022-09-04T14:37:57.637231Z",
"updated_at": "2022-09-04T14:37:57.637242Z",
"structure_string": "K4 Sr2 V8 O24\n1.0\n10.961660 -0.000000 -0.000000\n0.000000 10.961660 -0.000000\n-0.000000 0.000000 5.348523\nK Sr V O\n4 2 8 24\ndirect\n0.750000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.250000 0.250000 0.500000 K\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.719729 0.000000 V\n0.219729 0.500000 0.000000 V\n0.780271 0.500000 0.000000 V\n0.500000 0.219729 0.000000 V\n0.280271 0.000000 0.000000 V\n0.000000 0.280271 0.000000 V\n0.719729 0.000000 0.000000 V\n0.500000 0.780271 0.000000 V\n0.193935 0.048002 0.237232 O\n0.623691 0.876309 0.889466 O\n0.376309 0.123691 0.889466 O\n0.123691 0.623691 0.889466 O\n0.876309 0.376309 0.889466 O\n0.876309 0.623691 0.110533 O\n0.623691 0.123691 0.110533 O\n0.376309 0.876309 0.110533 O\n0.123691 0.376309 0.110533 O\n0.048002 0.806064 0.237232 O\n0.193935 0.951998 0.762767 O\n0.306064 0.451998 0.762767 O\n0.951998 0.806064 0.762767 O\n0.048002 0.193935 0.762767 O\n0.693935 0.548002 0.762767 O\n0.548002 0.306064 0.762767 O\n0.451998 0.693935 0.762767 O\n0.806064 0.951998 0.237232 O\n0.306064 0.548002 0.237232 O\n0.693935 0.451998 0.237232 O\n0.548002 0.693935 0.237232 O\n0.451998 0.306064 0.237232 O\n0.806064 0.048002 0.762767 O\n0.951998 0.193935 0.237232 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"K",
"Sr",
"V",
"O"
],
"chemical_system": "K-O-Sr-V",
"density": 2.902021634964517,
"density_atomic": 0.05912852892538764,
"volume": 642.6677729112956,
"volume_molar": 10.184831027335626,
"formula_full": "K4 Sr2 V8 O24",
"formula_reduced": "K2SrV4O12",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 2.7770521636842105,
"spacegroup": 125
},
{
"id": "jvasp-52253",
"created_at": "2022-09-04T14:37:58.849168Z",
"updated_at": "2022-09-04T14:37:58.849192Z",
"structure_string": "Li4 Cu2 P2 O8\n1.0\n0.000000 6.145967 -0.036813\n4.943726 0.000000 0.000000\n0.000000 -0.247421 -5.407293\nLi Cu P O\n4 2 2 8\ndirect\n0.003819 0.993617 0.834288 Li\n0.250498 0.494355 0.654217 Li\n0.749502 0.994356 0.345782 Li\n0.996182 0.493616 0.165711 Li\n0.494513 0.516526 0.125949 Cu\n0.505487 0.016526 -0.125949 Cu\n0.238362 0.989614 0.340256 P\n0.761639 0.489614 0.659743 P\n0.036218 0.095294 0.187491 O\n0.232726 0.094450 0.610360 O\n0.241233 0.674704 0.333718 O\n0.453342 0.095407 0.227475 O\n0.546658 0.595407 0.772524 O\n0.758768 0.174704 0.666281 O\n0.767274 0.594450 0.389639 O\n0.963782 0.595294 0.812508 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.4839443997687014,
"density_atomic": 0.09735907761733525,
"volume": 164.34009433498497,
"volume_molar": 6.185494878730989,
"formula_full": "Li4 Cu2 P2 O8",
"formula_reduced": "Li2CuPO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.71614749375,
"spacegroup": 4
},
{
"id": "jvasp-28928",
"created_at": "2022-09-04T14:37:45.252332Z",
"updated_at": "2022-09-04T14:37:45.252356Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n3.348168 -0.000001 0.000001\n-1.674085 2.899597 0.000004\n0.000006 0.000050 37.870547\nTe W Se S\n2 4 4 2\ndirect\n0.333357 0.666709 0.707786 Te\n0.333359 0.666714 0.607200 Te\n0.333315 0.666626 0.094020 W\n0.333311 0.666616 0.469583 W\n0.666693 0.333383 0.281787 W\n0.666690 0.333377 0.657543 W\n0.333362 0.666719 0.326004 Se\n0.666648 0.333288 0.425381 Se\n0.666641 0.333277 0.513782 Se\n0.333357 0.666713 0.237561 Se\n0.666648 0.333293 0.053857 S\n0.666645 0.333290 0.134243 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.190008673910867,
"density_atomic": 0.03263885085576619,
"volume": 367.660002891309,
"volume_molar": 18.450835743612245,
"formula_full": "Te2 W4 Se4 S2",
"formula_reduced": "TeW2Se2S",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.9087374166666655,
"spacegroup": 156
}
]
}