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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4498",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4496",
"results": [
{
"id": "jvasp-112751",
"created_at": "2022-09-04T14:38:41.305704Z",
"updated_at": "2022-09-04T14:38:41.305732Z",
"structure_string": "Li6 Nb2 V4 O12\n1.0\n5.175595 0.002280 -2.455339\n2.118700 6.260053 1.055215\n0.097084 0.185265 6.690330\nLi Nb V O\n6 2 4 12\ndirect\n0.750010 0.333310 0.166675 Li\n0.250004 0.333335 0.166669 Li\n0.758208 0.982661 0.495240 Li\n0.240604 0.997845 0.491347 Li\n0.741783 0.683990 0.838128 Li\n0.259381 0.668822 0.841982 Li\n0.474378 0.342346 0.658657 Nb\n0.025618 0.324325 0.674668 Nb\n0.467237 0.008267 -0.005600 V\n0.455836 0.688246 0.312524 V\n0.044162 0.978425 0.020806 V\n0.032766 0.658405 0.338932 V\n0.876785 0.313889 0.913801 O\n0.641457 0.006675 0.781483 O\n0.113996 -0.013126 0.745258 O\n0.858544 0.659995 0.551846 O\n0.386006 0.679797 0.588070 O\n0.627992 0.687138 0.103734 O\n0.112210 0.664363 0.072958 O\n0.872010 0.979531 0.229598 O\n0.387792 0.002305 0.260368 O\n0.623212 0.352782 0.419528 O\n0.105297 0.330776 0.390174 O\n0.394701 0.335896 0.943155 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.785604942821469,
"density_atomic": 0.1109837274702545,
"volume": 216.24791802413017,
"volume_molar": 5.426147505826053,
"formula_full": "Li6 Nb2 V4 O12",
"formula_reduced": "Li3NbV2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.9218607333333333,
"spacegroup": 2
},
{
"id": "jvasp-112547",
"created_at": "2022-09-04T14:38:41.330430Z",
"updated_at": "2022-09-04T14:38:41.330450Z",
"structure_string": "Rb3 In1 I6 O18\n1.0\n6.701798 -0.038267 -2.161653\n-2.161238 6.715720 0.288720\n0.048456 0.059776 10.618279\nRb In I O\n3 1 6 18\ndirect\n0.000000 0.000000 0.000000 Rb\n0.839413 0.020269 0.603774 Rb\n0.160588 0.979732 0.396227 Rb\n0.500000 0.500000 0.000000 In\n0.595939 0.453854 0.367941 I\n0.441622 0.031782 0.808921 I\n0.404062 0.546146 0.632059 I\n0.961083 0.523352 0.808841 I\n0.038918 0.476649 0.191160 I\n0.558378 0.968218 0.191080 I\n0.714777 0.153331 0.811920 O\n0.335258 0.435337 0.389944 O\n0.664743 0.564663 0.610057 O\n0.465108 0.389876 0.185794 O\n0.534893 0.610125 0.814206 O\n0.306681 0.157208 0.671975 O\n0.693320 0.842792 0.328026 O\n0.285224 0.846669 0.188080 O\n0.042507 0.448288 0.675408 O\n0.572661 0.822867 0.051056 O\n0.077778 0.795987 0.812335 O\n0.922222 0.204014 0.187666 O\n0.405263 0.801848 0.595133 O\n0.957494 0.551712 0.324593 O\n0.162756 0.455104 0.951684 O\n0.837245 0.544896 0.048316 O\n0.427340 0.177133 0.948944 O\n0.594737 0.198152 0.404867 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"In",
"I",
"O"
],
"chemical_system": "I-In-O-Rb",
"density": 4.9363382025499165,
"density_atomic": 0.058590956877641265,
"volume": 477.8894473164852,
"volume_molar": 10.278276855208851,
"formula_full": "Rb3 In1 I6 O18",
"formula_reduced": "Rb3In(IO3)6",
"formula_anonymous": "AB3C6D18",
"energy_above_hull": 1.7171332364285716,
"spacegroup": 2
},
{
"id": "jvasp-111666",
"created_at": "2022-09-04T14:38:41.358845Z",
"updated_at": "2022-09-04T14:38:41.358875Z",
"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n5.849353 -0.016197 -0.676875\n-2.407680 5.567999 -2.294757\n0.008976 0.022888 7.683891\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.341472 0.711609 0.239495 K\n0.658528 0.288391 0.760506 K\n0.000000 0.000000 0.000000 Mg\n0.325141 0.661574 0.759155 Mo\n0.674859 0.338426 0.240845 Mo\n0.926090 0.863693 0.297022 H\n0.073910 0.136307 0.702978 H\n0.127378 0.131503 0.390950 H\n0.872622 0.868497 0.609050 H\n0.903958 0.298680 0.111869 O\n0.096042 0.701320 0.888131 O\n0.380844 0.230450 0.071552 O\n0.619156 0.769550 0.928448 O\n0.350963 0.812167 0.608902 O\n0.237979 0.347506 0.622232 O\n0.649037 0.187833 0.391098 O\n0.052477 0.983731 0.267314 O\n0.762021 0.652494 0.377768 O\n0.947523 0.016269 0.732686 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"K",
"Mg",
"Mo",
"H",
"O"
],
"chemical_system": "H-K-Mg-Mo-O",
"density": 3.040712568082623,
"density_atomic": 0.0758976432966591,
"volume": 250.33715376029798,
"volume_molar": 7.9345556705383045,
"formula_full": "K2 Mg1 Mo2 H4 O10",
"formula_reduced": "K2MgMo2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.792805360526316,
"spacegroup": 2
},
{
"id": "jvasp-112503",
"created_at": "2022-09-04T14:38:41.381347Z",
"updated_at": "2022-09-04T14:38:41.381368Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.959000 -0.004377 0.086217\n1.432840 6.194973 0.619449\n0.023258 0.013211 13.559733\nLi Mn O\n8 6 14\ndirect\n0.678818 0.660649 0.429619 Li\n0.565595 0.214764 0.140671 Li\n0.434407 0.785235 0.859329 Li\n0.067385 0.935396 0.296538 Li\n0.000000 0.500000 0.000000 Li\n0.932617 0.064602 0.703462 Li\n0.321184 0.339350 0.570382 Li\n0.000000 -0.000000 0.500000 Li\n0.800528 0.576128 0.220779 Mn\n0.199473 0.423871 0.779221 Mn\n0.733127 0.143412 0.926897 Mn\n0.382465 0.278572 0.365638 Mn\n0.617536 0.721427 0.634362 Mn\n0.266874 0.856587 0.073104 Mn\n0.575403 0.451243 0.889708 O\n0.657490 0.882717 0.178479 O\n0.094047 0.728960 0.735662 O\n0.108557 0.165956 0.037581 O\n0.209035 0.598970 0.322555 O\n0.790967 0.401029 0.677445 O\n0.342511 0.117282 0.821521 O\n0.522633 0.990385 0.390178 O\n0.891444 0.834043 0.962420 O\n0.905954 0.271039 0.264338 O\n0.153827 0.678713 0.547074 O\n0.477368 0.009613 0.609822 O\n0.424598 0.548756 0.110292 O\n0.846174 0.321286 0.452927 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.068637549693903,
"density_atomic": 0.11262510446865297,
"volume": 248.612422000401,
"volume_molar": 5.347067857039057,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.7097604445812804,
"spacegroup": 2
},
{
"id": "jvasp-112726",
"created_at": "2022-09-04T14:38:41.946661Z",
"updated_at": "2022-09-04T14:38:41.946684Z",
"structure_string": "Mn8 Ir2 N8\n1.0\n5.196009 -0.026889 2.120587\n2.214870 4.378905 2.938358\n0.009296 0.024164 7.752843\nMn Ir N\n8 2 8\ndirect\n0.737786 0.582830 0.224801 Mn\n0.262216 0.417168 0.775200 Mn\n0.694349 0.204073 0.018428 Mn\n0.305653 0.795925 0.981572 Mn\n0.754655 0.515222 0.579730 Mn\n0.245347 0.484776 0.420270 Mn\n0.287381 0.950865 0.591507 Mn\n0.712621 0.049133 0.408494 Mn\n0.208387 0.060305 0.220789 Ir\n0.791615 0.939693 0.779212 Ir\n0.953334 0.665757 0.609582 N\n0.046668 0.334241 0.390419 N\n0.940058 0.800338 0.024255 N\n0.059944 0.199659 0.975746 N\n0.471192 0.559914 0.807323 N\n0.528810 0.440084 0.192678 N\n0.560282 0.866832 0.361425 N\n0.439720 0.133166 0.638575 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Ir",
"N"
],
"chemical_system": "Ir-Mn-N",
"density": 8.805040396317537,
"density_atomic": 0.10197240030606947,
"volume": 176.51835149484685,
"volume_molar": 5.9056575523618005,
"formula_full": "Mn8 Ir2 N8",
"formula_reduced": "Mn4IrN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 5.531525896168581,
"spacegroup": 2
},
{
"id": "jvasp-112125",
"created_at": "2022-09-04T14:38:41.706789Z",
"updated_at": "2022-09-04T14:38:41.706806Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.290578 0.114077 0.391140\n1.446163 7.646215 1.750649\n0.032281 0.035410 10.787550\nH Pb C O\n16 2 12 8\ndirect\n0.321520 0.834320 0.316276 H\n0.872302 0.124590 0.698588 H\n0.873023 0.625132 0.698322 H\n0.782904 0.357293 0.658893 H\n0.781968 0.857813 0.658889 H\n0.298057 0.855420 0.548529 H\n0.370029 0.124008 0.592088 H\n0.370500 0.623768 0.592178 H\n0.298382 0.355656 0.548507 H\n0.824043 0.835747 0.422403 H\n0.896201 0.103860 0.466085 H\n0.896548 0.604095 0.466063 H\n0.411679 0.102180 0.355720 H\n0.412657 0.601641 0.355723 H\n0.322244 0.334883 0.316003 H\n0.824506 0.335508 0.422495 H\n0.098076 0.479679 0.007217 Pb\n0.096540 0.979824 0.007386 Pb\n0.676387 0.240344 0.680367 C\n0.468849 0.248215 0.801056 C\n0.469345 0.747647 0.801203 C\n0.489065 0.236419 0.567173 C\n0.489093 0.736346 0.567194 C\n0.676406 0.740533 0.680322 C\n0.725229 0.711833 0.213396 C\n0.705484 0.723156 0.447397 C\n0.518173 0.219137 0.334231 C\n0.518173 0.718938 0.334277 C\n0.725717 0.211252 0.213546 C\n0.705496 0.223087 0.447418 C\n0.555909 0.632964 0.903793 O\n0.981644 0.595866 0.215282 O\n0.981318 0.094639 0.215810 O\n0.638657 0.826504 0.110803 O\n0.640342 0.325777 0.110761 O\n0.212951 0.863628 0.799321 O\n0.213243 0.364823 0.798806 O\n0.554245 0.133678 0.903833 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.316710041730934,
"density_atomic": 0.10801959848152166,
"volume": 351.7880137880762,
"volume_molar": 5.575044570296358,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.394882885263158,
"spacegroup": 2
},
{
"id": "jvasp-112120",
"created_at": "2022-09-04T14:38:41.660279Z",
"updated_at": "2022-09-04T14:38:41.660304Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.382511 -0.003498 -0.365784\n-2.175407 5.612800 -1.495119\n-0.004159 0.044147 10.204196\nSn H C Cl\n2 8 4 4\ndirect\n0.002105 0.084060 0.276249 Sn\n0.044147 0.954256 0.759880 Sn\n0.803409 0.145389 0.588064 H\n0.055252 0.770974 0.970085 H\n0.991071 0.267353 0.066040 H\n0.242913 0.892955 0.448061 H\n0.362552 0.209604 0.523711 H\n0.681784 0.825047 0.947370 H\n0.364523 0.213262 0.088764 H\n0.683745 0.828739 0.512409 H\n0.888690 0.996995 0.558669 C\n0.157619 0.041341 0.477454 C\n0.948489 0.905064 0.962009 C\n0.097811 0.133249 0.074119 C\n0.592904 0.273070 0.836567 Cl\n0.267748 0.636453 0.686152 Cl\n0.778558 0.401886 0.349966 Cl\n0.453380 0.765244 0.199555 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.8772837890934935,
"density_atomic": 0.07164389843438379,
"volume": 251.24260953618523,
"volume_molar": 8.405657552981253,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.983771092777778,
"spacegroup": 2
},
{
"id": "jvasp-113215",
"created_at": "2022-09-04T14:38:42.707974Z",
"updated_at": "2022-09-04T14:38:42.707996Z",
"structure_string": "Li4 Cr3 Ni1 O8\n1.0\n4.824914 -0.004284 -1.459685\n-0.877193 4.964589 -0.003473\n-0.009044 0.005256 5.833576\nLi Cr Ni O\n4 3 1 8\ndirect\n0.496462 0.747731 0.871233 Li\n0.503539 0.252271 0.128769 Li\n0.501733 0.742112 0.378578 Li\n0.498268 0.257890 0.621424 Li\n0.000000 0.500000 0.000000 Cr\n0.000481 -0.000313 0.253175 Cr\n-0.000480 0.000314 0.746826 Cr\n0.000001 0.500000 0.500001 Ni\n0.223917 0.869873 0.055571 O\n0.776084 0.130129 0.944431 O\n0.229764 0.365217 0.297191 O\n0.773253 0.635859 0.182447 O\n0.230463 0.888304 0.558607 O\n0.769538 0.111698 0.441395 O\n0.226748 0.364142 0.817555 O\n0.770237 0.634784 0.702811 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Ni-O",
"density": 4.404645902806147,
"density_atomic": 0.11456790061279952,
"volume": 139.65517317171194,
"volume_molar": 5.256394441888906,
"formula_full": "Li4 Cr3 Ni1 O8",
"formula_reduced": "Li4Cr3NiO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.7914714125,
"spacegroup": 2
},
{
"id": "jvasp-112486",
"created_at": "2022-09-04T14:38:41.723869Z",
"updated_at": "2022-09-04T14:38:41.723898Z",
"structure_string": "V4 O10\n1.0\n6.567885 0.126710 0.181054\n1.560846 6.525196 0.363661\n-0.184151 -0.197866 4.304916\nV O\n4 10\ndirect\n0.228592 0.705767 0.608338 V\n0.771408 0.294233 0.391662 V\n0.690619 0.817878 0.396503 V\n0.309381 0.182122 0.603497 V\n0.962213 0.798071 0.496336 O\n0.037787 0.201929 0.503664 O\n0.384045 0.887922 0.501937 O\n0.615955 0.112078 0.498063 O\n0.232583 0.707191 0.983210 O\n0.767417 0.292809 0.016790 O\n0.689661 0.819788 0.023098 O\n0.310339 0.180213 0.976901 O\n0.313093 0.444173 0.500493 O\n0.686907 0.555827 0.499507 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.278021129447762,
"density_atomic": 0.0759758811514592,
"volume": 184.26900468703698,
"volume_molar": 7.926384885217403,
"formula_full": "V4 O10",
"formula_reduced": "V2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.0443137,
"spacegroup": 2
},
{
"id": "jvasp-112698",
"created_at": "2022-09-04T14:38:41.774240Z",
"updated_at": "2022-09-04T14:38:41.774269Z",
"structure_string": "Ca3 Mg2 Fe1 C6 O18\n1.0\n4.845328 -0.003600 -0.007498\n-2.420066 5.386620 -1.022657\n0.015407 0.058882 12.384681\nCa Mg Fe C O\n3 2 1 6 18\ndirect\n0.661167 0.831896 0.831559 Ca\n0.338830 0.168103 0.168437 Ca\n-0.000002 0.500000 0.499998 Ca\n0.666590 0.834122 0.333586 Mg\n0.333407 0.165878 0.666410 Mg\n-0.000002 0.500000 -0.000002 Fe\n0.009560 0.518664 0.248927 C\n0.340610 0.184707 0.913633 C\n0.676980 0.851474 0.580794 C\n0.323018 0.148526 0.419202 C\n0.659387 0.815292 0.086363 C\n0.990437 0.481336 0.751069 C\n0.209181 0.601512 0.332091 O\n0.749290 0.530041 0.259742 O\n0.066753 0.415011 0.155947 O\n0.408806 0.094179 0.820151 O\n0.735080 0.754966 0.486556 O\n0.532885 0.264911 0.999113 O\n0.876336 0.930859 0.663853 O\n0.924961 0.812140 0.077236 O\n0.467113 0.735087 0.000883 O\n0.585006 0.140336 0.406846 O\n0.933244 0.584989 0.844050 O\n0.264917 0.245034 0.513440 O\n0.591192 0.905821 0.179846 O\n0.414992 0.859665 0.593150 O\n0.790816 0.398489 0.667906 O\n0.123661 0.069141 0.336144 O\n0.250708 0.469959 0.740254 O\n0.075036 0.187860 0.922760 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
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"Mg",
"Fe",
"C",
"O"
],
"chemical_system": "C-Ca-Fe-Mg-O",
"density": 3.00220277309259,
"density_atomic": 0.09275719203468334,
"volume": 323.4250556957625,
"volume_molar": 6.492370702369072,
"formula_full": "Ca3 Mg2 Fe1 C6 O18",
"formula_reduced": "Ca3Mg2Fe(CO3)6",
"formula_anonymous": "AB2C3D6E18",
"energy_above_hull": 3.3590972620000006,
"spacegroup": 2
},
{
"id": "jvasp-116252",
"created_at": "2022-09-04T14:38:41.822647Z",
"updated_at": "2022-09-04T14:38:41.822672Z",
"structure_string": "Li1 As2\n1.0\n5.069095 0.665538 0.642613\n-1.791706 -3.097665 -0.085093\n1.252512 3.648937 -4.222234\nLi As\n1 2\ndirect\n0.895556 0.026790 0.001525 Li\n0.261287 0.276308 0.612835 As\n0.530035 0.781154 0.390288 As\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"As"
],
"chemical_system": "As-Li",
"density": 4.263833196040896,
"density_atomic": 0.0491326365014954,
"volume": 61.05921061062318,
"volume_molar": 12.256905366388613,
"formula_full": "Li1 As2",
"formula_reduced": "LiAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5011145,
"spacegroup": 2
},
{
"id": "jvasp-112223",
"created_at": "2022-09-04T14:38:42.169614Z",
"updated_at": "2022-09-04T14:38:42.169623Z",
"structure_string": "H22 C30\n1.0\n5.950730 0.031227 -0.317294\n-0.500959 7.932690 -2.347649\n0.111667 0.216127 10.518410\nH C\n22 30\ndirect\n0.813405 0.268505 0.046724 H\n0.250759 0.770632 0.230721 H\n0.749241 0.229369 0.769280 H\n0.171583 0.562227 0.357921 H\n0.828418 0.437774 0.642079 H\n0.214427 0.570233 0.653432 H\n0.481954 0.505501 0.206607 H\n0.518046 0.494500 0.793394 H\n0.559575 0.717311 0.084053 H\n0.440426 0.282690 0.915948 H\n0.432134 0.155178 0.088260 H\n0.785574 0.429768 0.346569 H\n0.179463 0.254573 0.269381 H\n0.820538 0.745428 0.730620 H\n0.295444 0.247684 0.498962 H\n0.704556 0.752317 0.501039 H\n0.665656 0.138641 0.542279 H\n0.334345 0.861360 0.457722 H\n0.917718 0.037644 0.360923 H\n0.082283 0.962357 0.639078 H\n0.186595 0.731496 0.953277 H\n0.567866 0.844823 0.911740 H\n0.515880 0.848162 0.812081 C\n0.484120 0.151839 0.187919 C\n0.089067 0.241624 0.850633 C\n0.910933 0.758377 0.149368 C\n0.305708 0.317157 0.856344 C\n0.694292 0.682844 0.143657 C\n0.962313 0.405641 0.703456 C\n0.650239 0.564379 0.213129 C\n0.178623 0.479165 0.709009 C\n0.821378 0.520835 0.290991 C\n0.037687 0.594360 0.296545 C\n0.341497 0.208210 0.290392 C\n0.349761 0.435622 0.786871 C\n0.658503 0.791791 0.709609 C\n0.957510 0.886116 0.076435 C\n0.593831 0.795707 0.581515 C\n0.614264 0.142904 0.442882 C\n0.385736 0.857097 0.557118 C\n0.755553 0.084517 0.340396 C\n0.244448 0.915484 0.659604 C\n0.692492 0.088872 0.211010 C\n0.307509 0.911129 0.788991 C\n0.108774 0.851986 0.975878 C\n0.891227 0.148015 0.024122 C\n0.917382 0.288814 0.774838 C\n0.042490 0.113885 0.923565 C\n0.846650 0.037966 0.102032 C\n0.153350 0.962035 0.897969 C\n0.406169 0.204294 0.418485 C\n0.082619 0.711187 0.225162 C\n",
"nsites": 52,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2702579469378514,
"density_atomic": 0.10399671764967897,
"volume": 500.0157810284556,
"volume_molar": 5.7907027222590335,
"formula_full": "H22 C30",
"formula_reduced": "H11C15",
"formula_anonymous": "A11B15",
"energy_above_hull": 5.847772692307691,
"spacegroup": 2
}
]
}