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=349",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=347",
"results": [
{
"id": "jvasp-103932",
"created_at": "2022-09-04T14:36:42.174480Z",
"updated_at": "2022-09-04T14:36:42.174501Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.117495 0.000010 0.270033\n1.990623 4.062914 0.195969\n0.169367 -0.353923 16.404992\nZn H C O\n1 18 11 4\ndirect\n0.083245 0.016706 0.154078 Zn\n0.770312 0.295581 0.499355 H\n0.364230 0.787341 0.419780 H\n0.925948 0.594341 0.893182 H\n0.239418 0.784658 0.732012 H\n0.937907 0.605267 0.732766 H\n0.282265 0.790114 0.574933 H\n0.982638 0.609679 0.573031 H\n0.463338 0.125056 0.494650 H\n0.240616 0.759625 0.890376 H\n0.693940 0.229507 0.953805 H\n0.368119 0.080802 0.961522 H\n0.685172 0.283763 0.803820 H\n0.376572 0.112451 0.806484 H\n0.713131 0.299715 0.651656 H\n0.410153 0.122866 0.651271 H\n0.865040 0.259789 0.350296 H\n0.531373 0.135555 0.333189 H\n0.059945 0.615589 0.412517 H\n0.281793 0.457917 0.045546 C\n0.398544 0.310046 0.960403 C\n0.218326 0.526618 0.888428 C\n0.392979 0.349183 0.807212 C\n0.228129 0.545766 0.731203 C\n0.348057 0.551235 0.417451 C\n0.271955 0.550763 0.574074 C\n0.479936 0.361483 0.496395 C\n0.574742 0.355785 0.342175 C\n0.499392 0.544694 0.262781 C\n0.422528 0.361402 0.651966 C\n0.132079 0.772012 0.052742 O\n0.724589 0.455762 0.200874 O\n0.198306 0.804700 0.261056 O\n0.357673 0.260363 0.105555 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.6927298530713846,
"density_atomic": 0.12392984533928375,
"volume": 274.34876487514305,
"volume_molar": 4.859314351206633,
"formula_full": "Zn1 H18 C11 O4",
"formula_reduced": "ZnH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.5757248352941176,
"spacegroup": 1
},
{
"id": "jvasp-48540",
"created_at": "2022-09-04T14:36:47.035900Z",
"updated_at": "2022-09-04T14:36:47.035917Z",
"structure_string": "Li2 Co4 O2 F6\n1.0\n0.000000 4.176676 4.176676\n4.256615 0.021204 4.155470\n4.374775 4.280300 -0.103625\nLi Co O F\n2 4 2 6\ndirect\n0.625001 0.125000 0.624999 Li\n0.625000 0.625001 0.125000 Li\n0.985832 0.962394 0.065942 Co\n0.264168 0.287608 0.184058 Co\n0.125000 0.625001 0.624999 Co\n0.625001 0.625001 0.624999 Co\n0.386425 0.410327 0.816825 O\n0.863576 0.839675 0.433174 O\n0.388540 0.377956 0.371916 F\n0.861590 0.377956 0.371916 F\n0.391327 0.871794 0.345554 F\n0.858674 0.378208 0.904445 F\n0.388411 0.872046 0.878083 F\n0.861461 0.872046 0.878083 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.280112171838893,
"density_atomic": 0.09121650246157266,
"volume": 153.48099984317932,
"volume_molar": 6.60202989315117,
"formula_full": "Li2 Co4 O2 F6",
"formula_reduced": "LiCo2OF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.2455951639285714,
"spacegroup": 12
},
{
"id": "jvasp-101936",
"created_at": "2022-09-04T14:36:56.594242Z",
"updated_at": "2022-09-04T14:36:56.594262Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.500199 -0.042515 0.348140\n1.555354 3.767795 0.562593\n0.132424 0.068022 9.015051\nZr H C O\n1 6 5 4\ndirect\n0.107992 0.972086 0.328082 Zr\n0.591816 0.107570 0.908868 H\n0.936832 0.308579 0.914026 H\n0.913734 0.589791 0.602979 H\n0.862384 0.183035 0.660787 H\n0.104204 0.661586 0.770524 H\n0.435506 0.882758 0.776735 H\n0.495632 0.494479 0.483536 C\n0.686128 0.466159 0.631254 C\n0.432838 0.466350 0.067254 C\n0.429094 0.619408 0.772710 C\n0.604540 0.368911 0.912582 C\n0.766942 0.575141 0.348870 O\n0.507918 0.155498 0.463330 O\n0.233905 0.779645 0.093177 O\n0.512711 0.208908 0.174722 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 3.082845704753225,
"density_atomic": 0.13421363412942458,
"volume": 119.21292574918965,
"volume_molar": 4.4869813704565535,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.595319906249999,
"spacegroup": 1
},
{
"id": "jvasp-104953",
"created_at": "2022-09-04T14:36:47.113421Z",
"updated_at": "2022-09-04T14:36:47.113446Z",
"structure_string": "K1 Ba1 Fe4 As4\n1.0\n7.109633 0.003875 0.000000\n-5.007966 5.046501 0.000000\n-0.000000 -0.000000 5.471397\nK Ba Fe As\n1 1 4 4\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.499999 0.500000 Ba\n0.499999 -0.000000 0.750316 Fe\n-0.000000 0.500000 0.249685 Fe\n-0.000000 0.500000 0.750316 Fe\n0.499999 -0.000000 0.249685 Fe\n0.651856 0.348142 -0.000000 As\n0.151852 0.848147 0.500000 As\n0.848146 0.151852 0.500000 As\n0.348142 0.651857 -0.000000 As\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ba",
"Fe",
"As"
],
"chemical_system": "As-Ba-Fe-K",
"density": 5.9137240279225844,
"density_atomic": 0.05091308234858421,
"volume": 196.41317199248456,
"volume_molar": 11.828277688568317,
"formula_full": "K1 Ba1 Fe4 As4",
"formula_reduced": "KBa(FeAs)4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 2.5678622970000005,
"spacegroup": 65
},
{
"id": "jvasp-99594",
"created_at": "2022-09-04T14:36:47.115450Z",
"updated_at": "2022-09-04T14:36:47.115460Z",
"structure_string": "Na2 Y1 Cu1 Br6\n1.0\n6.586736 -0.000000 3.802854\n2.195579 6.210034 3.802854\n-0.000000 -0.000000 7.605707\nNa Y Cu Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.500000 Cu\n0.743888 0.256113 0.256112 Br\n0.256113 0.256113 0.743887 Br\n0.256114 0.743886 0.743887 Br\n0.256114 0.743886 0.256113 Br\n0.743888 0.256113 0.743887 Br\n0.743888 0.743886 0.256112 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Y",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-Na-Y",
"density": 3.6181146495376626,
"density_atomic": 0.0321437228066455,
"volume": 311.1027325662654,
"volume_molar": 18.73504446334686,
"formula_full": "Na2 Y1 Cu1 Br6",
"formula_reduced": "Na2YCuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101869",
"created_at": "2022-09-04T14:36:48.127595Z",
"updated_at": "2022-09-04T14:36:48.127619Z",
"structure_string": "Sn1 H18 C10 O4\n1.0\n5.153430 -0.027427 -0.137901\n-0.065008 6.363885 -1.189401\n-0.155731 0.197830 9.384912\nSn H C O\n1 18 10 4\ndirect\n0.723986 0.328315 0.679467 Sn\n0.144310 0.934302 0.251713 H\n0.032457 0.204392 0.463505 H\n0.804870 0.483338 0.959771 H\n0.923850 0.671707 0.853646 H\n0.108033 0.440079 0.873117 H\n0.099340 0.709010 0.118647 H\n0.816430 0.989632 0.481197 H\n0.274178 0.491784 0.306424 H\n0.702933 0.202380 0.392563 H\n0.113229 0.792659 0.557142 H\n0.376771 0.903021 0.476976 H\n0.453525 0.741473 0.887973 H\n0.227958 0.943908 0.934503 H\n0.513086 0.107074 0.140866 H\n0.779303 0.956230 0.075286 H\n0.622895 0.819420 0.281474 H\n0.560154 0.630340 0.126604 H\n0.968129 0.603177 0.340926 H\n0.502450 0.786588 0.180590 C\n0.568202 0.950249 0.086386 C\n0.435232 0.908097 0.933977 C\n0.276292 0.756355 0.486881 C\n0.174545 0.642137 0.335044 C\n0.565883 0.034806 0.835215 C\n0.461619 0.622464 0.556794 C\n0.831950 0.157052 0.477646 C\n0.914644 0.506892 0.866230 C\n0.216328 0.774917 0.216441 C\n0.364954 0.476717 0.620996 O\n0.423709 0.161469 0.771376 O\n0.806398 0.026712 0.816463 O\n0.704869 0.639801 0.551414 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.7256805454880808,
"density_atomic": 0.10685077829781564,
"volume": 308.8419244642472,
"volume_molar": 5.636028914281772,
"formula_full": "Sn1 H18 C10 O4",
"formula_reduced": "SnH18(C5O2)2",
"formula_anonymous": "AB4C10D18",
"energy_above_hull": 4.552987445454545,
"spacegroup": 1
},
{
"id": "jvasp-101915",
"created_at": "2022-09-04T14:36:48.135075Z",
"updated_at": "2022-09-04T14:36:48.135101Z",
"structure_string": "Zn1 H12 C8 O4\n1.0\n3.843271 0.171676 0.255119\n1.646673 4.414282 0.172452\n-0.411211 0.202999 12.132880\nZn H C O\n1 12 8 4\ndirect\n0.560341 0.947015 0.187997 Zn\n0.385813 0.660777 0.493966 H\n0.697477 0.696744 0.920672 H\n0.207482 0.821219 0.932570 H\n0.557602 0.692317 0.702785 H\n0.080463 0.769199 0.735164 H\n0.637121 0.189124 0.622337 H\n0.921398 0.714730 0.535443 H\n0.753564 0.215773 0.828819 H\n0.277308 0.290127 0.857794 H\n0.494217 0.138072 0.421993 H\n0.048265 0.173323 0.469995 H\n0.171813 0.246497 0.662070 H\n0.501638 0.460055 0.044956 C\n0.469594 0.610699 0.930871 C\n0.472453 0.404619 0.836698 C\n0.361701 0.579769 0.726118 C\n0.208784 0.537272 0.524024 C\n0.207535 0.310783 0.437996 C\n0.035936 0.442839 0.327569 C\n0.351662 0.370543 0.634399 C\n0.402186 0.629184 0.128402 O\n0.080925 0.260083 0.249293 O\n0.838164 0.732706 0.319561 O\n0.616926 0.165768 0.051615 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.9452901031852976,
"density_atomic": 0.12326839386133874,
"volume": 202.80948925254773,
"volume_molar": 4.8853891669701985,
"formula_full": "Zn1 H12 C8 O4",
"formula_reduced": "ZnH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.438020576,
"spacegroup": 1
},
{
"id": "jvasp-8113",
"created_at": "2022-09-04T14:36:41.984040Z",
"updated_at": "2022-09-04T14:36:41.984058Z",
"structure_string": "Ag2 C2 N2 O2\n1.0\n0.000000 3.340491 -0.089683\n6.235377 0.000000 0.000000\n0.000000 -0.201797 -5.779207\nAg C N O\n2 2 2 2\ndirect\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.708355 0.750000 0.579859 C\n0.291644 0.250000 0.420141 C\n0.147794 0.250000 0.227878 N\n0.852205 0.750000 0.772122 N\n0.435370 0.250000 0.610200 O\n0.564629 0.750000 0.389800 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"C",
"N",
"O"
],
"chemical_system": "Ag-C-N-O",
"density": 4.131322092430516,
"density_atomic": 0.0663959787146468,
"volume": 120.48922472220775,
"volume_molar": 9.070038391755087,
"formula_full": "Ag2 C2 N2 O2",
"formula_reduced": "AgCNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.2592485025,
"spacegroup": 11
},
{
"id": "jvasp-28459",
"created_at": "2022-09-04T14:37:02.353786Z",
"updated_at": "2022-09-04T14:37:02.353805Z",
"structure_string": "Te2 W3 Se2 S2\n1.0\n3.352746 0.000000 0.000000\n-1.676373 2.903566 -0.000000\n0.000000 0.000001 31.017803\nTe W Se S\n2 3 2 2\ndirect\n0.666649 0.333294 0.516898 Te\n0.666649 0.333294 0.639745 Te\n0.333313 0.666623 0.115657 W\n0.333313 0.666625 0.578379 W\n0.666689 0.333377 0.346938 W\n0.333353 0.666705 0.400867 Se\n0.333353 0.666706 0.292994 Se\n0.666646 0.333290 0.066595 S\n0.666647 0.333291 0.164769 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 5.65749267145954,
"density_atomic": 0.029805685921221025,
"volume": 301.9558088274757,
"volume_molar": 20.204670933985657,
"formula_full": "Te2 W3 Se2 S2",
"formula_reduced": "Te2W3(SeS)2",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 4.1911535851851855,
"spacegroup": 156
},
{
"id": "jvasp-99745",
"created_at": "2022-09-04T14:36:48.130667Z",
"updated_at": "2022-09-04T14:36:48.130694Z",
"structure_string": "Co1 Cu3 Hg1 Se4\n1.0\n5.852915 -0.000000 0.000000\n-0.000000 5.852915 -0.000000\n-0.000000 -0.000000 5.852915\nCo Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.226182 0.226182 0.226182 Se\n0.773819 0.773819 0.226182 Se\n0.226182 0.773819 0.773819 Se\n0.773819 0.226182 0.773819 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Co",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Co-Cu-Hg-Se",
"density": 6.343981290412724,
"density_atomic": 0.044887545496044595,
"volume": 200.50104991356818,
"volume_molar": 13.41606161230326,
"formula_full": "Co1 Cu3 Hg1 Se4",
"formula_reduced": "CoCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7702467018518515,
"spacegroup": 215
},
{
"id": "jvasp-52226",
"created_at": "2022-09-04T14:36:56.593056Z",
"updated_at": "2022-09-04T14:36:56.593077Z",
"structure_string": "K4 I4 O8 F8\n1.0\n5.705548 0.000000 0.000000\n0.000000 8.639188 0.000000\n0.000000 0.000000 8.369901\nK I O F\n4 4 8 8\ndirect\n0.470355 0.265023 0.191517 K\n0.470355 0.765024 0.308483 K\n0.529645 0.265023 0.691517 K\n0.529645 0.765024 0.808483 K\n0.008687 0.020794 0.014162 I\n0.991314 0.520794 0.985838 I\n0.008687 0.520794 0.485838 I\n0.991314 0.020794 0.514162 I\n-0.109142 0.214635 0.024632 O\n0.850733 0.507698 0.792153 O\n0.850733 0.007698 0.707847 O\n-0.109142 0.714636 0.475368 O\n0.109142 0.214635 0.524632 O\n0.149268 0.507698 0.292153 O\n0.149268 0.007698 0.207847 O\n0.109142 0.714636 0.975368 O\n0.676355 0.594291 0.082211 F\n0.693797 0.934159 0.093052 F\n0.693797 0.434159 0.406948 F\n0.676355 0.094291 0.417790 F\n0.323645 0.594291 0.582210 F\n0.306203 0.934159 0.593052 F\n0.306203 0.434159 0.906948 F\n0.323645 0.094291 0.917790 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"I",
"O",
"F"
],
"chemical_system": "F-I-K-O",
"density": 3.799509148129758,
"density_atomic": 0.05817288898141506,
"volume": 412.56331635287125,
"volume_molar": 10.352143181205838,
"formula_full": "K4 I4 O8 F8",
"formula_reduced": "KI(OF)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.3448586400000001,
"spacegroup": 29
},
{
"id": "jvasp-102423",
"created_at": "2022-09-04T14:36:43.507126Z",
"updated_at": "2022-09-04T14:36:43.507143Z",
"structure_string": "K1 Rb2 Tb1 Cl6\n1.0\n6.776136 -0.000000 3.912204\n2.258712 6.388602 3.912204\n-0.000000 -0.000000 7.824408\nTb K Rb Cl\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.762549 0.237452 0.237451 Cl\n0.237452 0.237452 0.762548 Cl\n0.237452 0.762548 0.762548 Cl\n0.237452 0.762548 0.237452 Cl\n0.762549 0.237452 0.762548 Cl\n0.762548 0.762548 0.237451 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"K",
"Rb",
"Cl"
],
"chemical_system": "Cl-K-Rb-Tb",
"density": 2.8516205807616446,
"density_atomic": 0.02952300530473582,
"volume": 338.71890401333525,
"volume_molar": 20.398129180412337,
"formula_full": "K1 Rb2 Tb1 Cl6",
"formula_reduced": "KRb2TbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}