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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4326",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4324",
"results": [
{
"id": "jvasp-48204",
"created_at": "2022-09-04T14:37:51.417610Z",
"updated_at": "2022-09-04T14:37:51.417637Z",
"structure_string": "Li2 Mn2 C4 O12\n1.0\n5.354593 0.007006 -0.237159\n2.669880 6.001510 -0.120894\n2.054511 0.005120 7.635646\nLi Mn C O\n2 2 4 12\ndirect\n0.518278 -0.055352 0.683437 Li\n0.214417 0.552821 0.183408 Li\n0.613283 0.515159 0.500211 Mn\n0.879634 0.982291 0.000247 Mn\n0.350736 0.594939 0.790077 C\n0.918331 0.107775 0.700860 C\n0.696979 0.902496 0.290123 C\n0.777890 0.389519 0.200861 C\n0.923477 0.455865 0.276281 O\n0.526533 0.426979 0.299452 O\n0.955696 0.884224 0.241296 O\n0.591008 0.862976 0.441444 O\n0.905285 0.197049 0.555434 O\n0.704437 0.070471 0.799609 O\n0.591254 0.613105 0.741287 O\n0.274245 0.537978 0.660838 O\n0.563431 0.959593 0.160924 O\n0.205255 0.634439 0.941408 O\n0.130383 0.041446 0.776169 O\n0.854401 0.300099 0.055470 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O",
"density": 2.4343290402489566,
"density_atomic": 0.08059442780110376,
"volume": 248.15611383652126,
"volume_molar": 7.472155239890573,
"formula_full": "Li2 Mn2 C4 O12",
"formula_reduced": "LiMn(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.612375824137931,
"spacegroup": 9
},
{
"id": "jvasp-54701",
"created_at": "2022-09-04T14:37:50.714255Z",
"updated_at": "2022-09-04T14:37:50.714277Z",
"structure_string": "H4 S2 O8\n1.0\n3.729182 2.282640 -1.729729\n-3.729182 2.282640 1.729729\n-0.562206 0.000000 8.549402\nH S O\n4 2 8\ndirect\n0.717192 0.537779 0.604650 H\n0.462221 0.282808 0.104650 H\n0.295240 0.758928 0.883801 H\n0.241072 0.704760 0.383801 H\n0.888237 0.930178 0.735818 S\n0.069823 0.111762 0.235818 S\n0.736606 0.712300 0.882595 O\n0.687576 0.753072 0.576527 O\n0.246928 0.312424 0.076527 O\n0.287700 0.263393 0.382596 O\n0.261101 0.959273 0.787308 O\n0.919658 0.277351 0.659534 O\n0.722649 0.080342 0.159534 O\n0.040728 0.738898 0.287308 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"H",
"S",
"O"
],
"chemical_system": "H-O-S",
"density": 2.3082829129418845,
"density_atomic": 0.09921201097641269,
"volume": 141.11194665057693,
"volume_molar": 6.069971468909891,
"formula_full": "H4 S2 O8",
"formula_reduced": "H2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.560872,
"spacegroup": 9
},
{
"id": "jvasp-42524",
"created_at": "2022-09-04T14:37:50.994418Z",
"updated_at": "2022-09-04T14:37:50.994435Z",
"structure_string": "Li4 Fe2 O4 F2\n1.0\n2.598768 4.300299 -0.018663\n-2.598768 4.300299 0.018663\n-2.024105 0.000000 4.754756\nLi Fe O F\n4 2 4 2\ndirect\n0.253060 0.245517 0.746103 Li\n0.564416 0.598480 0.770447 Li\n0.401519 0.435585 0.270447 Li\n0.754483 0.746941 0.246103 Li\n0.931157 0.865572 0.746524 Fe\n0.134428 0.068844 0.246524 Fe\n0.152082 0.706455 0.493969 O\n0.293546 0.847917 0.993969 O\n0.004421 0.484852 0.006258 O\n0.515149 -0.004422 0.506259 O\n0.663359 0.167612 0.986700 F\n0.832388 0.336642 0.486700 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.7842410247507168,
"density_atomic": 0.11326261772514691,
"volume": 105.94846067499748,
"volume_molar": 5.3169711957513295,
"formula_full": "Li4 Fe2 O4 F2",
"formula_reduced": "Li2FeO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.4044637970833334,
"spacegroup": 9
},
{
"id": "jvasp-35210",
"created_at": "2022-09-04T14:37:58.060916Z",
"updated_at": "2022-09-04T14:37:58.060933Z",
"structure_string": "Y2 P6 O18\n1.0\n-0.000000 -6.763391 0.000000\n-5.637043 -3.381695 4.347968\n-5.594060 -3.381695 -5.736460\nY P O\n2 6 18\ndirect\n0.784838 0.149669 0.745288 Y\n0.320206 0.649669 0.245288 Y\n0.810401 0.682471 0.909979 P\n0.597151 0.182471 0.409980 P\n0.213870 0.389489 0.020253 P\n0.376390 0.889489 0.520252 P\n-0.012781 0.118361 0.079666 P\n0.814755 0.618361 0.579666 P\n0.959265 0.684654 0.414886 O\n0.941196 0.184654 0.914887 O\n0.139822 0.934459 0.643951 O\n0.281769 0.434459 0.143951 O\n0.434546 0.790928 0.373818 O\n0.400710 0.290928 0.873818 O\n0.741851 0.088030 0.524439 O\n0.645681 0.588030 0.024439 O\n0.746450 0.131943 0.222067 O\n0.729880 0.891340 0.909070 O\n0.899542 0.631943 0.722066 O\n0.163473 0.925540 0.102343 O\n0.554476 0.771562 0.625093 O\n0.048870 0.271562 0.125094 O\n0.414040 0.086854 0.451643 O\n0.047464 0.586854 0.951643 O\n0.469711 0.391340 0.409070 O\n0.808645 0.425540 0.602344 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Y",
"P",
"O"
],
"chemical_system": "O-P-Y",
"density": 2.8237235603065423,
"density_atomic": 0.0678478951428278,
"volume": 383.21011941884035,
"volume_molar": 8.87594338383333,
"formula_full": "Y2 P6 O18",
"formula_reduced": "Y(PO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.968410265384615,
"spacegroup": 9
},
{
"id": "jvasp-47262",
"created_at": "2022-09-04T14:37:59.286032Z",
"updated_at": "2022-09-04T14:37:59.286047Z",
"structure_string": "V2 F10\n1.0\n4.813117 0.313046 0.488684\n-1.294414 4.644916 -0.484904\n-1.325663 -2.783743 7.511366\nV F\n2 10\ndirect\n0.038752 -0.001571 0.042040 V\n0.542206 0.000167 0.541603 V\n0.214659 0.326786 0.009699 F\n0.180138 0.783432 0.858696 F\n0.416041 0.332456 0.623524 F\n0.711471 0.981704 0.731991 F\n0.182742 0.787097 0.506572 F\n0.818238 0.224491 0.482228 F\n0.245773 0.022173 0.233817 F\n0.578828 0.679871 0.357329 F\n0.782300 0.199272 0.120906 F\n0.759923 0.658493 -0.018855 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"F"
],
"chemical_system": "F-V",
"density": 2.860242594708781,
"density_atomic": 0.0708190304372702,
"volume": 169.44597978687824,
"volume_molar": 8.503562845772464,
"formula_full": "V2 F10",
"formula_reduced": "VF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.2126426020833333,
"spacegroup": 9
},
{
"id": "jvasp-45849",
"created_at": "2022-09-04T14:37:59.646853Z",
"updated_at": "2022-09-04T14:37:59.646884Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.904721 -0.089804 -0.084495\n-2.530134 4.382320 0.168992\n-0.147802 0.256001 8.674891\nLi Co P O\n2 2 2 8\ndirect\n-0.119425 0.949847 0.686228 Li\n0.119426 0.069275 0.186228 Li\n0.409193 0.691836 0.355017 Co\n0.590809 0.282645 0.855017 Co\n0.276754 0.639424 0.723989 P\n0.723247 0.362671 0.223990 P\n-0.054473 0.608983 0.724785 O\n0.452937 0.786228 0.568197 O\n0.510491 0.862562 0.843667 O\n0.228460 0.313234 0.758565 O\n0.489511 0.352073 0.343667 O\n0.547064 0.333292 0.068197 O\n0.771542 0.084775 0.258565 O\n0.054475 0.663457 0.224785 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.8987827036954004,
"density_atomic": 0.07597234554783416,
"volume": 184.27758020430258,
"volume_molar": 7.926753763589284,
"formula_full": "Li2 Co2 P2 O8",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.432304342857143,
"spacegroup": 9
},
{
"id": "jvasp-47442",
"created_at": "2022-09-04T14:38:02.858227Z",
"updated_at": "2022-09-04T14:38:02.858244Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.907935 4.252172 -0.058339\n-2.907935 4.252172 0.058339\n-3.074682 0.000000 8.814670\nLi Mn O F\n8 4 8 4\ndirect\n0.119571 0.631466 0.728227 Li\n0.368533 0.880428 0.228227 Li\n0.042308 0.189925 0.606002 Li\n0.210006 0.045042 0.911178 Li\n0.810074 0.957692 0.106002 Li\n0.954958 0.789994 0.411178 Li\n0.615916 0.122796 0.745655 Li\n0.877204 0.384084 0.245655 Li\n0.455753 0.299909 0.416102 Mn\n0.294560 0.454121 0.093161 Mn\n0.700091 0.544246 0.916102 Mn\n0.545879 0.705440 0.593161 Mn\n0.376352 0.854950 0.760195 O\n0.748891 0.955411 0.573488 O\n0.333442 0.468965 0.572368 O\n0.145049 0.623648 0.260195 O\n0.861470 0.407078 0.756194 O\n0.044588 0.251108 0.073488 O\n0.531034 0.666557 0.072368 O\n0.592921 0.138530 0.256194 O\n0.745082 0.530880 0.413561 F\n0.469120 0.254917 0.913561 F\n0.966628 0.809432 0.923870 F\n0.190567 0.033372 0.423870 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.676602652248183,
"density_atomic": 0.11087394693519267,
"volume": 216.46203335783045,
"volume_molar": 5.431520141986128,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.521567420646552,
"spacegroup": 9
},
{
"id": "jvasp-29960",
"created_at": "2022-09-04T14:38:02.758108Z",
"updated_at": "2022-09-04T14:38:02.758127Z",
"structure_string": "Nb6 Ir2 Se16\n1.0\n6.254180 -0.000996 3.127161\n-3.154629 6.078440 -1.506407\n-2.521576 0.069827 12.862672\nNb Ir Se\n6 2 16\ndirect\n0.018327 0.523580 0.999395 Nb\n0.256372 0.023662 0.499328 Nb\n0.029683 0.997605 0.002768 Nb\n0.498141 0.534864 0.998216 Nb\n0.789024 0.034953 0.498142 Nb\n0.715667 0.497690 0.502694 Nb\n0.252743 0.452885 0.500796 Ir\n0.449698 0.952792 0.000868 Ir\n0.865815 0.346513 0.629015 Se\n0.850251 0.840645 0.631034 Se\n0.414482 0.175395 0.871830 Se\n0.658352 0.186349 0.367354 Se\n0.639631 0.675489 0.371760 Se\n0.394399 0.662638 0.856283 Se\n0.342340 0.314341 0.645592 Se\n0.601986 0.846409 0.129087 Se\n0.162507 0.162716 0.356220 Se\n0.354752 0.804998 0.609475 Se\n0.911033 0.686255 0.867419 Se\n0.109675 0.340545 0.131099 Se\n0.150750 0.652669 0.390629 Se\n0.076719 0.814241 0.145660 Se\n0.591108 0.304913 0.109536 Se\n0.861673 0.152576 0.890702 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nb",
"Ir",
"Se"
],
"chemical_system": "Ir-Nb-Se",
"density": 6.821183901029243,
"density_atomic": 0.04470617992155246,
"volume": 536.8385319907374,
"volume_molar": 13.470488354333263,
"formula_full": "Nb6 Ir2 Se16",
"formula_reduced": "Nb3IrSe8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.2180746861111107,
"spacegroup": 9
},
{
"id": "jvasp-9876",
"created_at": "2022-09-04T14:38:04.012782Z",
"updated_at": "2022-09-04T14:38:04.012811Z",
"structure_string": "Ca4 Al2 Bi2 O10\n1.0\n5.638342 0.001978 0.012320\n-0.002088 5.982553 -0.000935\n-2.595727 -2.990955 7.751671\nCa Al Bi O\n4 2 2 10\ndirect\n0.832713 0.390523 0.757832 Ca\n0.587613 0.169770 0.289353 Ca\n0.087607 0.618850 0.289361 Ca\n0.332691 0.866570 0.757832 Ca\n0.725412 0.821617 0.515795 Al\n0.225418 0.193423 0.515788 Al\n0.477769 0.490225 0.994991 Bi\n0.977761 0.004026 0.994998 Bi\n0.643445 0.165031 0.869425 O\n0.885884 0.641942 0.034514 O\n0.213619 0.275986 0.336337 O\n0.868421 0.748029 0.702224 O\n0.418316 0.937063 0.492446 O\n0.368408 0.453450 0.702214 O\n0.918324 0.054624 0.492445 O\n0.143452 0.203652 0.869440 O\n0.713620 0.559607 0.336344 O\n0.385877 0.891823 0.034513 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-Ca-O",
"density": 5.027769338262487,
"density_atomic": 0.06879352064623936,
"volume": 261.65254853814463,
"volume_molar": 8.753935986163551,
"formula_full": "Ca4 Al2 Bi2 O10",
"formula_reduced": "Ca2AlBiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.5177783822222224,
"spacegroup": 9
},
{
"id": "jvasp-46241",
"created_at": "2022-09-04T14:38:05.265594Z",
"updated_at": "2022-09-04T14:38:05.265621Z",
"structure_string": "Li12 Cr2 O12\n1.0\n5.566580 -0.000393 0.001930\n-2.782928 4.850390 0.015571\n-0.003788 -0.159589 10.630100\nLi Cr O\n12 2 12\ndirect\n0.394016 0.376971 0.724012 Li\n0.388459 0.380732 0.150632 Li\n0.982965 0.376972 0.224008 Li\n0.713295 0.703341 0.260183 Li\n0.992277 0.380729 0.650631 Li\n0.327354 0.653684 0.409485 Li\n0.673971 0.318720 0.909053 Li\n0.326339 0.653677 0.909481 Li\n0.644760 0.318730 0.409049 Li\n0.581761 0.974207 0.713962 Li\n0.990053 0.703336 0.760184 Li\n0.392452 0.974208 0.213960 Li\n-0.002677 -0.003049 0.005059 Cr\n-0.000365 -0.003045 0.505061 Cr\n0.286393 0.283145 0.958582 O\n0.996751 0.283144 0.458584 O\n0.716984 0.714025 0.453248 O\n0.348293 0.641383 0.236227 O\n0.690887 0.338992 0.735475 O\n0.019289 0.013248 0.162918 O\n-0.006036 0.013246 0.662920 O\n0.293099 0.641384 0.736224 O\n0.648117 0.338992 0.235469 O\n0.709946 0.992396 0.958581 O\n-0.002948 0.714022 0.953247 O\n0.282457 0.992408 0.458584 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.1943123634683253,
"density_atomic": 0.09058706595662551,
"volume": 287.01669190223254,
"volume_molar": 6.647903535018448,
"formula_full": "Li12 Cr2 O12",
"formula_reduced": "Li6CrO6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.0551752615384613,
"spacegroup": 9
},
{
"id": "jvasp-33679",
"created_at": "2022-09-04T14:38:06.942185Z",
"updated_at": "2022-09-04T14:38:06.942207Z",
"structure_string": "B2 Cl2 O4 F8\n1.0\n2.435276 4.541183 -0.034427\n-2.435276 4.541183 0.034427\n-1.276408 0.000000 9.488000\nB Cl O F\n2 2 4 8\ndirect\n0.409510 0.450495 0.515608 B\n0.549504 0.590489 0.015608 B\n0.885495 0.672329 0.751278 Cl\n0.327671 0.114504 0.251278 Cl\n0.132769 0.361127 0.809580 O\n0.857591 0.922949 0.818091 O\n0.638873 0.867230 0.309580 O\n0.077051 0.142408 0.318091 O\n0.142826 0.715368 0.564121 F\n0.498311 0.642148 0.863122 F\n0.284631 0.857173 0.064121 F\n0.357852 0.501688 0.363122 F\n0.425660 0.176610 0.560793 F\n0.680982 0.431907 0.562838 F\n0.823389 0.574339 0.060793 F\n0.568093 0.319017 0.062838 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"B",
"Cl",
"O",
"F"
],
"chemical_system": "B-Cl-F-O",
"density": 2.4458351749057092,
"density_atomic": 0.07638794880173169,
"volume": 209.45712315863736,
"volume_molar": 7.883626742787312,
"formula_full": "B2 Cl2 O4 F8",
"formula_reduced": "BCl(OF2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.0825843476041666,
"spacegroup": 9
},
{
"id": "jvasp-44725",
"created_at": "2022-09-04T14:38:07.477471Z",
"updated_at": "2022-09-04T14:38:07.477500Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n4.945104 0.037206 -0.052205\n2.391213 4.328783 -0.061798\n2.298611 1.386172 7.994706\nLi Fe P O\n2 2 2 8\ndirect\n0.440663 0.571101 0.494529 Li\n0.073098 0.938616 0.994568 Li\n0.810915 0.684060 0.750714 Fe\n0.186031 0.308916 0.250687 Fe\n0.433484 0.317171 0.873802 P\n0.819134 0.931474 0.373803 P\n0.765401 0.036105 0.849274 O\n0.467102 0.594666 0.904799 O\n0.278831 0.414554 0.716443 O\n0.734161 0.710336 0.524243 O\n0.538085 0.263409 0.349256 O\n0.096701 0.965054 0.404741 O\n0.916401 0.776797 0.216467 O\n0.212281 0.232211 0.024205 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.060478453751701,
"density_atomic": 0.08178028758788695,
"volume": 171.1903982356946,
"volume_molar": 7.363804820970061,
"formula_full": "Li2 Fe2 P2 O8",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438319285714286,
"spacegroup": 9
}
]
}