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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4354",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4352",
"results": [
{
"id": "jvasp-118728",
"created_at": "2022-09-04T14:38:47.341289Z",
"updated_at": "2022-09-04T14:38:47.341300Z",
"structure_string": "Mg1 Se3\n1.0\n7.478525 -0.593362 -0.763593\n0.654834 -3.715895 0.074036\n3.017493 -1.475076 -3.873639\nMg Se\n1 3\ndirect\n0.689102 0.419692 0.683258 Mg\n0.081682 0.110857 -0.083279 Se\n0.039535 0.859777 0.458201 Se\n0.565587 0.117532 0.410986 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 4.380850258196261,
"density_atomic": 0.04040369379934884,
"volume": 99.00084927543098,
"volume_molar": 14.904926242404734,
"formula_full": "Mg1 Se3",
"formula_reduced": "MgSe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9622491833333332,
"spacegroup": 8
},
{
"id": "jvasp-118987",
"created_at": "2022-09-04T14:38:47.449559Z",
"updated_at": "2022-09-04T14:38:47.449592Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n14.267422 -0.071523 1.523669\n14.000152 2.749578 1.523669\n0.047240 0.004475 5.723009\nLi Mn Co O\n8 2 4 14\ndirect\n0.428114 0.428118 0.786563 Li\n0.275349 0.275351 0.345750 Li\n0.150955 0.150959 0.936474 Li\n0.854437 0.854441 0.074786 Li\n0.713952 0.713957 0.644751 Li\n0.575504 0.575507 0.213976 Li\n0.001663 0.001664 0.498242 Li\n0.713550 0.713554 0.141592 Li\n0.000407 0.000407 -0.000790 Mn\n0.856506 0.856511 0.571420 Mn\n0.284071 0.284075 0.862038 Co\n0.144381 0.144383 0.425144 Co\n0.571637 0.571642 0.714255 Co\n0.428858 0.428861 0.286262 Co\n0.497699 0.497702 0.235357 O\n0.501432 0.501437 0.765207 O\n0.360818 0.360821 0.335939 O\n0.220049 0.220052 0.886629 O\n0.932084 0.932088 0.052647 O\n0.790186 0.790192 0.617939 O\n0.642496 0.642500 0.204268 O\n0.073999 0.074000 0.487903 O\n0.356182 0.356186 0.802554 O\n0.208216 0.208218 0.400440 O\n0.067524 0.067528 0.949635 O\n0.786081 0.786084 0.080199 O\n0.638148 0.638153 0.661507 O\n0.925651 0.925656 0.519323 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.512557448030564,
"density_atomic": 0.12172012773190342,
"volume": 230.0359071399583,
"volume_molar": 4.947530759468278,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5582516815270937,
"spacegroup": 8
},
{
"id": "jvasp-116896",
"created_at": "2022-09-04T14:38:47.671363Z",
"updated_at": "2022-09-04T14:38:47.671395Z",
"structure_string": "Li4 Co3 Sn3 Sb2 O16\n1.0\n6.150753 0.019708 0.050263\n3.101867 5.311363 0.050263\n-0.001884 -0.001086 9.755933\nLi Co Sn Sb O\n4 3 3 2 16\ndirect\n0.661928 0.661928 0.104210 Li\n0.910687 0.910687 0.040577 Li\n0.991008 0.991007 0.501822 Li\n0.334692 0.334691 0.592165 Li\n0.833448 0.833447 0.778538 Co\n0.190208 0.652090 0.288461 Co\n0.652090 0.190207 0.288461 Co\n0.837429 0.341046 0.790654 Sn\n0.170639 0.170639 0.282637 Sn\n0.341047 0.837427 0.790654 Sn\n0.676534 0.676533 0.505818 Sb\n0.344693 0.344693 0.014688 Sb\n0.180816 0.180814 0.898699 O\n0.165442 0.675272 0.905622 O\n0.331728 0.331727 0.393889 O\n0.489879 0.038194 0.144910 O\n0.038194 0.489879 0.144910 O\n0.836969 0.836968 0.404089 O\n0.965343 0.518309 0.651914 O\n0.520208 0.520207 0.655644 O\n0.833677 0.338732 0.408001 O\n-0.001924 -0.001924 0.200454 O\n0.004656 0.004655 0.689176 O\n0.670690 0.670688 0.900836 O\n0.486989 0.486989 0.149803 O\n0.338733 0.833676 0.408001 O\n0.518310 0.965342 0.651914 O\n0.675274 0.165441 0.905622 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Co",
"Sn",
"Sb",
"O"
],
"chemical_system": "Co-Li-O-Sb-Sn",
"density": 5.534112361504955,
"density_atomic": 0.08801718489639222,
"volume": 318.11969484095266,
"volume_molar": 6.842005645930224,
"formula_full": "Li4 Co3 Sn3 Sb2 O16",
"formula_reduced": "Li4Co3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.4935937857142854,
"spacegroup": 8
},
{
"id": "jvasp-107733",
"created_at": "2022-09-04T14:38:47.796228Z",
"updated_at": "2022-09-04T14:38:47.796256Z",
"structure_string": "V1 Fe2 Se4\n1.0\n5.965658 -0.026004 2.833372\n5.004599 3.247114 2.833372\n-0.021525 -0.006320 6.048120\nV Fe Se\n1 2 4\ndirect\n0.755750 0.755750 0.185733 V\n0.502409 0.502409 0.497974 Fe\n0.240433 0.240434 0.816894 Fe\n0.860151 0.860151 0.486984 Se\n0.140232 0.140233 0.527626 Se\n0.392762 0.392763 0.938266 Se\n0.608261 0.608261 0.046523 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-V",
"density": 6.723931625715253,
"density_atomic": 0.059240150995966016,
"volume": 118.16310192181427,
"volume_molar": 10.165640463019885,
"formula_full": "V1 Fe2 Se4",
"formula_reduced": "V(FeSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.674381238095238,
"spacegroup": 8
},
{
"id": "jvasp-117124",
"created_at": "2022-09-04T14:38:48.066486Z",
"updated_at": "2022-09-04T14:38:48.066514Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.842634 -0.004521 0.019026\n-1.404443 6.064942 -1.180153\n-0.064321 0.010154 9.558238\nLi Mn Co O\n6 2 2 10\ndirect\n0.098079 0.196061 0.304047 Li\n0.909015 0.817604 0.701566 Li\n0.508251 0.016197 0.513670 Li\n0.286954 0.573471 0.891061 Li\n0.699849 0.399844 0.091305 Li\n0.599368 0.198470 0.793240 Li\n0.003101 0.006455 0.995533 Mn\n0.801682 0.603487 0.400945 Mn\n0.199000 0.397610 0.605695 Co\n0.398251 0.796979 0.199120 Co\n0.858534 0.717617 0.064239 O\n0.538605 0.077482 0.140938 O\n0.342277 0.684389 0.536385 O\n0.939691 0.879914 0.336113 O\n0.747538 0.494660 0.731898 O\n0.139964 0.280086 0.958296 O\n0.662499 0.324646 0.459467 O\n0.451259 0.902794 0.868995 O\n0.058214 0.116106 0.645007 O\n0.257867 0.516119 0.262486 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.327331964393376,
"density_atomic": 0.12138269923742546,
"volume": 164.7681269707131,
"volume_molar": 4.961284266895933,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.404603564137931,
"spacegroup": 8
},
{
"id": "jvasp-105553",
"created_at": "2022-09-04T14:38:48.482754Z",
"updated_at": "2022-09-04T14:38:48.482781Z",
"structure_string": "Ba2 Al1 Ga3\n1.0\n4.786867 -0.004033 3.921856\n2.243350 4.228652 3.921856\n-0.011442 -0.006876 7.917017\nBa Al Ga\n2 1 3\ndirect\n0.251605 0.251604 0.189088 Ba\n0.748244 0.748242 0.810566 Ba\n0.424065 0.424065 0.416550 Al\n0.573351 0.573350 0.584095 Ga\n0.925700 0.925700 0.236988 Ga\n0.077039 0.077037 0.762715 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ga"
],
"chemical_system": "Al-Ba-Ga",
"density": 5.281960608221452,
"density_atomic": 0.03736307085640747,
"volume": 160.58637211751153,
"volume_molar": 16.11789561715656,
"formula_full": "Ba2 Al1 Ga3",
"formula_reduced": "Ba2AlGa3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-113251",
"created_at": "2022-09-04T14:38:49.043153Z",
"updated_at": "2022-09-04T14:38:49.043173Z",
"structure_string": "Li4 Cr3 Sn3 Te2 O16\n1.0\n6.191195 -0.044733 0.085822\n3.081330 5.370131 0.085822\n-0.105971 -0.060861 10.051463\nLi Cr Sn Te O\n4 3 3 2 16\ndirect\n0.673824 0.673823 0.102886 Li\n0.988624 0.988624 0.011382 Li\n0.992923 0.992923 0.502032 Li\n0.335262 0.335262 0.595639 Li\n0.831080 0.831080 0.786051 Cr\n0.170014 0.665880 0.287341 Cr\n0.665880 0.170014 0.287341 Cr\n0.831299 0.333357 0.785233 Sn\n0.169376 0.169376 0.285538 Sn\n0.333357 0.831299 0.785233 Sn\n0.676128 0.676128 0.502920 Te\n0.345193 0.345193 0.017900 Te\n0.150460 0.150461 0.901242 O\n0.139138 0.696211 0.899488 O\n0.339549 0.339549 0.389182 O\n0.493453 0.038338 0.164168 O\n0.038338 0.493453 0.164168 O\n0.842253 0.842253 0.397792 O\n0.964848 0.524741 0.662304 O\n0.508742 0.508742 0.668055 O\n0.842714 0.306186 0.398934 O\n0.994690 0.994690 0.192036 O\n0.992626 0.992626 0.682503 O\n0.669630 0.669630 0.894199 O\n0.483772 0.483771 0.167829 O\n0.306186 0.842714 0.398934 O\n0.524741 0.964848 0.662304 O\n0.696211 0.139139 0.899488 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Sn",
"Te",
"O"
],
"chemical_system": "Cr-Li-O-Sn-Te",
"density": 5.200099985326568,
"density_atomic": 0.08342339730438363,
"volume": 335.6372541127463,
"volume_molar": 7.218767102024454,
"formula_full": "Li4 Cr3 Sn3 Te2 O16",
"formula_reduced": "Li4Cr3Sn3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.6305796011904765,
"spacegroup": 8
},
{
"id": "jvasp-107757",
"created_at": "2022-09-04T14:38:49.382528Z",
"updated_at": "2022-09-04T14:38:49.382555Z",
"structure_string": "Ge2 Sb2 Te5\n1.0\n5.738308 0.006559 4.927405\n2.459491 5.184508 4.927405\n0.067821 0.042946 9.786685\nGe Sb Te\n2 2 5\ndirect\n0.508821 0.508821 0.006624 Ge\n0.720952 0.720953 0.199675 Ge\n0.888889 0.888890 0.429402 Sb\n0.108284 0.108285 0.578193 Sb\n0.588859 0.588860 0.599082 Te\n0.786554 0.786556 0.811524 Te\n-0.002149 -0.002149 -0.003584 Te\n0.199227 0.199227 0.190389 Te\n0.400562 0.400562 0.388700 Te\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ge",
"Sb",
"Te"
],
"chemical_system": "Ge-Sb-Te",
"density": 5.90849146178921,
"density_atomic": 0.031187758616092888,
"volume": 288.57476136024724,
"volume_molar": 19.309309252164642,
"formula_full": "Ge2 Sb2 Te5",
"formula_reduced": "Ge2Sb2Te5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.225000325925926,
"spacegroup": 8
},
{
"id": "jvasp-116506",
"created_at": "2022-09-04T14:38:49.701316Z",
"updated_at": "2022-09-04T14:38:49.701341Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.185338 -0.012093 2.043935\n9.791844 2.803756 2.043935\n0.037342 0.005218 8.029426\nLi Mn Co O\n8 2 4 14\ndirect\n0.574885 0.574889 0.239354 Li\n0.709514 0.709518 0.629359 Li\n0.855994 0.855998 0.071000 Li\n0.005514 0.005515 0.499837 Li\n0.145509 0.145511 0.923175 Li\n0.282773 0.282775 0.363960 Li\n0.428034 0.428037 0.774507 Li\n0.139836 0.139837 0.435648 Li\n0.000690 0.000690 0.000001 Mn\n0.713753 0.713757 0.152386 Mn\n0.572156 0.572160 0.710925 Co\n0.856441 0.856446 0.569024 Co\n0.285638 0.285640 0.854860 Co\n0.428828 0.428831 0.285118 Co\n0.291860 0.291862 0.613647 O\n0.565071 0.565075 0.964928 O\n0.717331 0.717335 0.373548 O\n0.850708 0.850714 0.811834 O\n0.994668 0.994673 0.242224 O\n0.134307 0.134309 0.686308 O\n0.281261 0.281263 0.098230 O\n0.420719 0.420722 0.525998 O\n0.569704 0.569708 0.481383 O\n0.721353 0.721357 0.897005 O\n0.865134 0.865139 0.325153 O\n0.003441 0.003442 0.761335 O\n0.150936 0.150937 0.170842 O\n0.433896 0.433898 0.038433 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.512680868479435,
"density_atomic": 0.12172345683141612,
"volume": 230.02961572788132,
"volume_molar": 4.9473954460071825,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5552181100985223,
"spacegroup": 8
},
{
"id": "jvasp-119594",
"created_at": "2022-09-04T14:38:49.423227Z",
"updated_at": "2022-09-04T14:38:49.423254Z",
"structure_string": "Li4 Nb3 V3 Fe2 O16\n1.0\n5.932551 0.044644 0.096045\n2.950448 5.147039 0.096045\n0.049450 0.028901 9.868093\nLi Nb V Fe O\n4 3 3 2 16\ndirect\n0.343319 0.343318 0.100810 Li\n0.984048 0.984047 0.001746 Li\n0.982560 0.982559 0.509594 Li\n0.669568 0.669568 0.609223 Li\n0.169556 0.169556 0.783940 Nb\n0.839513 0.346686 0.285425 Nb\n0.346687 0.839512 0.285425 Nb\n0.178517 0.646427 0.786432 V\n0.826904 0.826903 0.286037 V\n0.646428 0.178516 0.786432 V\n0.338290 0.338289 0.508135 Fe\n0.666699 0.666698 0.996201 Fe\n0.835885 0.835884 0.889307 O\n0.830045 0.318732 0.898107 O\n0.667762 0.667762 0.411917 O\n0.520202 0.981368 0.163314 O\n0.981369 0.520201 0.163314 O\n0.162803 0.162803 0.409419 O\n0.032953 0.488804 0.662523 O\n0.485376 0.485375 0.668881 O\n0.159071 0.677785 0.395969 O\n-0.001665 -0.001665 0.181852 O\n-0.003463 -0.003463 0.689059 O\n0.329201 0.329201 0.906116 O\n0.523359 0.523359 0.156369 O\n0.677786 0.159070 0.395969 O\n0.488805 0.032952 0.662523 O\n0.318733 0.830044 0.898107 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Nb-O-V",
"density": 4.57763008438591,
"density_atomic": 0.09333626110209026,
"volume": 299.99058960990396,
"volume_molar": 6.4520912760936975,
"formula_full": "Li4 Nb3 V3 Fe2 O16",
"formula_reduced": "Li4Nb3V3(FeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.4818674214285714,
"spacegroup": 8
},
{
"id": "jvasp-116528",
"created_at": "2022-09-04T14:38:49.439815Z",
"updated_at": "2022-09-04T14:38:49.439844Z",
"structure_string": "Mg16 Al12 Pt1\n1.0\n8.487440 -0.011258 2.934718\n-4.064071 7.451181 2.934718\n0.026939 0.045311 9.007916\nMg Al Pt\n16 12 1\ndirect\n0.992892 0.992891 0.009174 Mg\n0.582253 0.334827 0.017198 Mg\n0.317418 0.999197 0.398605 Mg\n0.353163 0.004397 0.004183 Mg\n0.677848 0.298057 0.309565 Mg\n0.007117 0.603337 0.676909 Mg\n0.603337 0.007117 0.676909 Mg\n0.298057 0.677848 0.309565 Mg\n0.714353 0.408304 0.596206 Mg\n0.999197 0.317418 0.398605 Mg\n0.408305 0.714353 0.596206 Mg\n0.334828 0.582253 0.017198 Mg\n0.610359 0.610359 0.328514 Mg\n0.011099 0.011098 0.650445 Mg\n0.695067 0.695066 0.702376 Mg\n0.004397 0.353163 0.004183 Mg\n0.371146 0.184169 0.632734 Al\n0.002299 0.813153 0.361451 Al\n0.007996 0.633461 0.179058 Al\n0.201195 0.820652 0.811634 Al\n0.820652 0.201195 0.811634 Al\n0.651544 0.836241 0.978114 Al\n0.813153 0.002299 0.361451 Al\n0.184169 0.371146 0.632734 Al\n0.364070 0.364070 0.826752 Al\n0.183902 0.183901 0.191055 Al\n0.836241 0.651544 0.978114 Al\n0.633461 0.007996 0.179058 Al\n0.317565 0.317564 0.360648 Pt\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Pt"
],
"chemical_system": "Al-Mg-Pt",
"density": 2.658439291973794,
"density_atomic": 0.051146155645403375,
"volume": 567.0025368291057,
"volume_molar": 11.774376165730892,
"formula_full": "Mg16 Al12 Pt1",
"formula_reduced": "Mg16Al12Pt",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.4058041310344829,
"spacegroup": 8
},
{
"id": "jvasp-107779",
"created_at": "2022-09-04T14:38:49.385412Z",
"updated_at": "2022-09-04T14:38:49.385434Z",
"structure_string": "Ti1 Cr1 Ag1 S4\n1.0\n6.533161 -0.025085 2.832818\n5.621509 3.328883 2.832818\n-0.023709 -0.006444 5.952851\nTi Cr Ag S\n1 1 1 4\ndirect\n0.248054 0.248057 0.781975 Ti\n0.752208 0.752210 0.229526 Cr\n0.499114 0.499116 0.504638 Ag\n0.365959 0.365962 0.978874 S\n0.632693 0.632693 0.023397 S\n0.852322 0.852324 0.477016 S\n0.149643 0.149644 0.504577 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Ti",
"density": 4.273835693362149,
"density_atomic": 0.0536214720369349,
"volume": 130.5447190106669,
"volume_molar": 11.230838190812632,
"formula_full": "Ti1 Cr1 Ag1 S4",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4655732847619056,
"spacegroup": 8
}
]
}