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=603",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=601",
"results": [
{
"id": "jvasp-116717",
"created_at": "2022-09-04T14:38:45.058802Z",
"updated_at": "2022-09-04T14:38:45.058830Z",
"structure_string": "Ba4 Sr1 Fe5 O15\n1.0\n3.925392 -0.000000 0.000000\n0.000000 3.925392 0.000000\n-0.000000 -0.000000 19.627348\nBa Sr Fe O\n4 1 5 15\ndirect\n0.500000 0.500000 0.196152 Ba\n0.500000 0.500000 0.398777 Ba\n0.500000 0.500000 0.601223 Ba\n0.500000 0.500000 0.803848 Ba\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.000000 0.903708 Fe\n0.000000 0.000000 0.096292 Fe\n0.000000 0.000000 0.298161 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.701839 Fe\n0.500000 0.000000 0.297228 O\n0.500000 0.000000 0.093714 O\n0.500000 0.000000 0.906286 O\n-0.000000 0.500000 0.702772 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.297228 O\n0.000000 0.000000 0.398466 O\n-0.000000 0.500000 0.906286 O\n0.000000 0.000000 0.805004 O\n0.000000 0.000000 0.601534 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.194996 O\n0.000000 0.000000 0.000000 O\n-0.000000 0.500000 0.093714 O\n0.500000 0.000000 0.702772 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Sr",
"density": 6.347947675622621,
"density_atomic": 0.08266322026695011,
"volume": 302.4319633237824,
"volume_molar": 7.2851514138359,
"formula_full": "Ba4 Sr1 Fe5 O15",
"formula_reduced": "Ba4Sr(FeO3)5",
"formula_anonymous": "AB4C5D15",
"energy_above_hull": 2.5595484076,
"spacegroup": 123
},
{
"id": "jvasp-110619",
"created_at": "2022-09-04T14:38:39.806019Z",
"updated_at": "2022-09-04T14:38:39.806037Z",
"structure_string": "Ba1 Y1 Fe2 O5\n1.0\n3.900908 0.000000 0.000000\n0.000000 3.901035 0.000000\n0.000000 0.000000 7.405392\nBa Y Fe O\n1 1 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Y\n0.499999 0.500002 0.275940 Fe\n0.499999 0.500002 0.724060 Fe\n0.499999 0.000000 0.307306 O\n0.499999 0.000000 0.692693 O\n0.000000 0.500002 0.307308 O\n0.000000 0.500002 0.692692 O\n0.499999 0.500002 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Y",
"density": 6.158124849649038,
"density_atomic": 0.07986360352960155,
"volume": 112.69213511839769,
"volume_molar": 7.540532224754779,
"formula_full": "Ba1 Y1 Fe2 O5",
"formula_reduced": "BaYFe2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.568586657777778,
"spacegroup": 123
},
{
"id": "jvasp-103397",
"created_at": "2022-09-04T14:38:39.807912Z",
"updated_at": "2022-09-04T14:38:39.807934Z",
"structure_string": "Y1 Mg1 Co2 Ni2\n1.0\n4.311144 0.054279 -2.460965\n-1.384512 4.003955 -2.587804\n0.007039 -0.054279 4.964097\nY Mg Co Ni\n1 1 2 2\ndirect\n0.998914 0.998916 0.000002 Y\n0.255172 0.755172 0.500002 Mg\n0.623471 0.873322 0.249852 Co\n0.623471 0.373621 0.750151 Co\n0.128213 0.374487 0.753728 Ni\n0.620760 0.374487 0.246275 Ni\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Co",
"Ni"
],
"chemical_system": "Co-Mg-Ni-Y",
"density": 6.780440817771908,
"density_atomic": 0.07030757440609864,
"volume": 85.33931159883034,
"volume_molar": 8.565422446827617,
"formula_full": "Y1 Mg1 Co2 Ni2",
"formula_reduced": "YMg(CoNi)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.9293418500000004,
"spacegroup": 44
},
{
"id": "jvasp-112372",
"created_at": "2022-09-04T14:38:39.819363Z",
"updated_at": "2022-09-04T14:38:39.819382Z",
"structure_string": "Cu3 Ag3 P2 S8\n1.0\n6.310778 0.021687 0.030379\n0.031911 6.410882 0.046539\n0.016981 0.018002 7.720680\nCu Ag P S\n3 3 2 8\ndirect\n0.509241 0.681977 0.748974 Cu\n0.502968 0.701092 0.254774 Cu\n0.016563 0.325452 0.751546 Cu\n0.023803 0.310646 0.242925 Ag\n0.011265 0.842525 0.501367 Ag\n0.494419 0.137038 0.996406 Ag\n0.506737 0.187857 0.505361 P\n0.993422 0.813729 0.995622 P\n0.409454 0.871894 0.504701 S\n0.898388 0.124185 0.980170 S\n0.833719 0.203291 0.517474 S\n0.326908 0.775042 0.999465 S\n0.873055 0.655937 0.779329 S\n0.866449 0.682682 0.220997 S\n0.376043 0.342666 0.721882 S\n0.413567 0.343985 0.279008 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-Cu-P-S",
"density": 4.4269644450848675,
"density_atomic": 0.05122513060649071,
"volume": 312.3466901999982,
"volume_molar": 11.756223339403135,
"formula_full": "Cu3 Ag3 P2 S8",
"formula_reduced": "Cu3Ag3(PS4)2",
"formula_anonymous": "A2B3C3D8",
"energy_above_hull": 1.467070258125,
"spacegroup": 1
},
{
"id": "jvasp-46710",
"created_at": "2022-09-04T14:38:34.549546Z",
"updated_at": "2022-09-04T14:38:34.549574Z",
"structure_string": "Li2 Mn2 P4 O16\n1.0\n0.000000 4.748515 0.049240\n8.412595 0.000000 0.000000\n0.000000 -4.397196 -6.321840\nLi Mn P O\n2 2 4 16\ndirect\n0.000000 0.500000 0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.499999 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.770141 0.172117 0.750518 P\n0.229857 0.672117 0.749482 P\n0.770141 0.327882 0.250518 P\n0.229857 0.827882 0.249482 P\n0.506567 0.626830 0.711011 O\n0.871916 0.878911 0.051297 O\n0.493431 0.126830 0.788989 O\n0.128082 0.378912 0.448703 O\n0.677322 0.398966 0.039747 O\n0.798607 0.144314 0.228874 O\n0.201391 0.855686 0.771126 O\n0.128082 0.121088 0.948703 O\n0.871916 0.621088 0.551297 O\n0.506568 0.873169 0.211011 O\n0.322676 0.898965 0.460253 O\n0.493431 0.373169 0.288989 O\n0.677322 0.101034 0.539747 O\n0.798607 0.355686 0.728874 O\n0.322676 0.601034 0.960253 O\n0.201391 0.644314 0.271126 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.3356833424612238,
"density_atomic": 0.09572462955431342,
"volume": 250.719173443054,
"volume_molar": 6.291108973770521,
"formula_full": "Li2 Mn2 P4 O16",
"formula_reduced": "LiMn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.899902186781609,
"spacegroup": 14
},
{
"id": "jvasp-112157",
"created_at": "2022-09-04T14:38:45.684318Z",
"updated_at": "2022-09-04T14:38:45.684348Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.812525 0.090167 0.184696\n1.301535 4.393978 0.893684\n0.196458 -0.008641 9.443689\nHf H C O\n1 8 6 4\ndirect\n0.036060 0.832713 0.307175 Hf\n0.787448 0.207182 0.914603 H\n0.314438 0.327721 0.880226 H\n0.806263 0.743917 0.851551 H\n0.323053 0.885594 0.854309 H\n0.063233 0.335271 0.670621 H\n0.676050 0.225416 0.645094 H\n0.257880 0.727237 0.633830 H\n0.602791 0.902834 0.601133 H\n0.534678 0.397478 0.920147 C\n0.554939 0.697984 0.825276 C\n0.541063 0.699608 0.663016 C\n0.888371 0.446836 0.452700 C\n0.798010 0.413334 0.614008 C\n0.442307 0.405054 0.077750 C\n0.208202 0.646286 0.111662 O\n0.979980 0.161024 0.412989 O\n0.588181 0.661333 0.360939 O\n0.579613 0.162434 0.169749 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 3.4126866566755716,
"density_atomic": 0.12103638136098122,
"volume": 156.97759455757387,
"volume_molar": 4.97547984522063,
"formula_full": "Hf1 H8 C6 O4",
"formula_reduced": "HfH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.733636157894738,
"spacegroup": 1
},
{
"id": "jvasp-118990",
"created_at": "2022-09-04T14:38:48.247223Z",
"updated_at": "2022-09-04T14:38:48.247253Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.975006 0.032865 2.100461\n5.284092 2.789291 2.100461\n0.158924 0.039835 14.012254\nLi Mn Co O\n8 2 4 14\ndirect\n0.500001 0.499999 -0.000000 Li\n0.064169 0.064169 0.153728 Li\n0.635341 0.635339 0.299254 Li\n0.935831 0.935830 0.846271 Li\n0.364660 0.364661 0.700746 Li\n0.200481 0.200482 0.436284 Li\n0.799519 0.799517 0.563716 Li\n0.500000 0.500000 0.500000 Li\n0.213619 0.213622 0.928666 Mn\n0.786381 0.786378 0.071333 Mn\n0.071604 0.071606 0.639376 Co\n0.644773 0.644773 0.784857 Co\n0.355228 0.355227 0.215143 Co\n0.928396 0.928393 0.360624 Co\n0.062991 0.062992 0.389514 O\n0.650410 0.650407 0.030136 O\n0.223125 0.223125 0.168266 O\n0.798316 0.798313 0.309427 O\n0.082027 0.082030 0.887377 O\n0.514613 0.514613 0.742463 O\n0.361306 0.361306 0.450248 O\n0.937010 0.937008 0.610486 O\n0.349591 0.349593 0.969863 O\n0.917974 0.917970 0.112622 O\n0.485387 0.485386 0.257537 O\n0.776875 0.776875 0.831733 O\n0.201684 0.201686 0.690573 O\n0.638694 0.638693 0.549752 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.510961003339332,
"density_atomic": 0.12167706579774046,
"volume": 230.11731764261495,
"volume_molar": 4.949281707705208,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5581981100985223,
"spacegroup": 12
},
{
"id": "jvasp-54507",
"created_at": "2022-09-04T14:38:34.577636Z",
"updated_at": "2022-09-04T14:38:34.577665Z",
"structure_string": "Rb2 Pb2 I2 O12\n1.0\n2.772394 -4.801929 -0.000000\n2.772394 4.801929 0.000000\n0.000000 -0.000000 12.262958\nRb Pb I O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666666 0.333332 0.250000 Pb\n0.333332 0.666666 0.750000 Pb\n0.333332 0.666666 0.250000 I\n0.666666 0.333332 0.750000 I\n0.039187 0.638911 0.157968 O\n0.638910 0.599723 0.657968 O\n0.599722 0.960811 0.157968 O\n0.039187 0.400276 0.342032 O\n0.960812 0.361088 0.657968 O\n0.400276 0.361088 0.842032 O\n0.638911 0.039187 0.842032 O\n0.361088 0.400276 0.157968 O\n0.960811 0.599722 0.842032 O\n0.400276 0.039187 0.657968 O\n0.599723 0.638910 0.342032 O\n0.361088 0.960812 0.342032 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Pb",
"I",
"O"
],
"chemical_system": "I-O-Pb-Rb",
"density": 5.244084611765352,
"density_atomic": 0.05512855179947812,
"volume": 326.50957466599726,
"volume_molar": 10.923814545146476,
"formula_full": "Rb2 Pb2 I2 O12",
"formula_reduced": "RbPbIO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.6752442327777777,
"spacegroup": 182
},
{
"id": "jvasp-116880",
"created_at": "2022-09-04T14:38:34.582193Z",
"updated_at": "2022-09-04T14:38:34.582222Z",
"structure_string": "Li14 Mn2 O6 F6\n1.0\n5.244136 -0.050750 1.243316\n-3.518997 5.417175 0.627611\n-0.079235 -0.053192 10.133871\nLi Mn O F\n14 2 6 6\ndirect\n0.095737 0.099271 0.222921 Li\n0.963207 0.906089 0.730096 Li\n0.882478 0.390250 0.276351 Li\n0.517172 0.008722 0.617689 Li\n0.477796 0.500564 0.891019 Li\n0.758698 0.805124 0.534134 Li\n0.727536 0.248573 0.055494 Li\n0.697109 0.115526 0.815526 Li\n0.202375 0.684252 0.957068 Li\n0.273294 0.230907 0.444695 Li\n0.542326 0.541290 0.123477 Li\n0.447720 0.945858 0.394230 Li\n0.093079 0.612315 0.749414 Li\n0.297232 0.383402 0.671478 Li\n0.102422 0.064630 0.950176 Mn\n0.985641 0.448793 0.516183 Mn\n0.934119 0.129765 0.624061 O\n0.622394 0.269312 0.465297 O\n0.061492 0.354115 0.874738 O\n0.392060 0.254303 0.042925 O\n0.255026 0.924680 0.809271 O\n0.347506 0.690918 0.559987 O\n0.726676 0.585761 0.707896 F\n0.094561 0.932960 0.380745 F\n0.245920 0.421365 0.295119 F\n0.909756 0.582569 0.121454 F\n0.608119 0.790264 0.953443 F\n0.738581 0.078438 0.215112 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.4127343135833947,
"density_atomic": 0.09755374391242652,
"volume": 287.0212754226578,
"volume_molar": 6.173151863249907,
"formula_full": "Li14 Mn2 O6 F6",
"formula_reduced": "Li7Mn(OF)3",
"formula_anonymous": "AB3C3D7",
"energy_above_hull": 1.2341920420628076,
"spacegroup": 1
},
{
"id": "jvasp-113201",
"created_at": "2022-09-04T14:38:45.201768Z",
"updated_at": "2022-09-04T14:38:45.201797Z",
"structure_string": "Li2 Co3 Ni1 O8\n1.0\n4.914637 0.015761 2.837175\n1.645554 4.630989 2.837175\n0.022252 0.015761 5.674745\nLi Co Ni O\n2 3 1 8\ndirect\n0.873380 0.873380 0.873382 Li\n0.126619 0.126619 0.126619 Li\n0.500000 -0.000000 0.500000 Co\n-0.000001 0.500000 0.500000 Co\n0.500000 0.500000 0.000001 Co\n0.500000 0.500000 0.500001 Ni\n0.290422 0.736993 0.736994 O\n0.736993 0.290422 0.736994 O\n0.264138 0.264138 0.264139 O\n0.736993 0.736993 0.290423 O\n0.263006 0.263006 0.709578 O\n0.735861 0.735861 0.735863 O\n0.263006 0.709578 0.263007 O\n0.709578 0.263006 0.263007 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.873890993242393,
"density_atomic": 0.10888979124962693,
"volume": 128.57036311058192,
"volume_molar": 5.530491601544541,
"formula_full": "Li2 Co3 Ni1 O8",
"formula_reduced": "Li2Co3NiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.6812459357142853,
"spacegroup": 166
},
{
"id": "jvasp-111234",
"created_at": "2022-09-04T14:38:46.093671Z",
"updated_at": "2022-09-04T14:38:46.093712Z",
"structure_string": "Rb2 Tl1 As1 Br6\n1.0\n6.986085 -0.000000 4.033418\n2.328695 6.586545 4.033418\n-0.000000 -0.000000 8.066837\nRb Tl As Br\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.766642 0.233358 0.233359 Br\n0.233359 0.233358 0.766642 Br\n0.233360 0.766641 0.766642 Br\n0.233360 0.766641 0.233359 Br\n0.766642 0.233358 0.766642 Br\n0.766643 0.766641 0.233359 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"Br"
],
"chemical_system": "As-Br-Rb-Tl",
"density": 4.158919694153481,
"density_atomic": 0.026940471338190972,
"volume": 371.1887544381579,
"volume_molar": 22.35350927755662,
"formula_full": "Rb2 Tl1 As1 Br6",
"formula_reduced": "Rb2TlAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-113122",
"created_at": "2022-09-04T14:38:45.172625Z",
"updated_at": "2022-09-04T14:38:45.172650Z",
"structure_string": "Ba4 In1 Bi1 O6\n1.0\n4.514174 -0.000000 0.000000\n0.000000 4.514174 0.000000\n-0.000000 -0.000000 13.268069\nBa In Bi O\n4 1 1 6\ndirect\n0.000000 0.000000 0.360511 Ba\n0.500000 0.500000 0.870499 Ba\n0.500000 0.500000 0.129501 Ba\n0.000000 0.000000 0.639489 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Bi\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.682994 O\n0.500000 0.500000 0.317006 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"In",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-In-O",
"density": 5.951886411369838,
"density_atomic": 0.04438302863537743,
"volume": 270.3736173253142,
"volume_molar": 13.568566511028473,
"formula_full": "Ba4 In1 Bi1 O6",
"formula_reduced": "Ba4InBiO6",
"formula_anonymous": "ABC4D6",
"energy_above_hull": 1.2428332625,
"spacegroup": 123
}
]
}