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=-volume&page=1113",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1111",
"results": [
{
"id": "jvasp-100249",
"created_at": "2022-09-04T14:36:38.391786Z",
"updated_at": "2022-09-04T14:36:38.391797Z",
"structure_string": "Tl6 As2\n1.0\n7.336121 -0.000000 0.000000\n-3.668060 6.353268 -0.000000\n0.000000 -0.000000 5.005020\nTl As\n6 2\ndirect\n0.175545 0.351090 0.250000 Tl\n0.648910 0.824456 0.250000 Tl\n0.175545 0.824456 0.250000 Tl\n0.824455 0.648910 0.750000 Tl\n0.351090 0.175545 0.750000 Tl\n0.824455 0.175545 0.750000 Tl\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"As"
],
"chemical_system": "As-Tl",
"density": 9.79587385984886,
"density_atomic": 0.03429418673588473,
"volume": 233.275687847963,
"volume_molar": 17.560237851328186,
"formula_full": "Tl6 As2",
"formula_reduced": "Tl3As",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1069898875,
"spacegroup": 194
},
{
"id": "jvasp-20338",
"created_at": "2022-09-04T14:38:27.905385Z",
"updated_at": "2022-09-04T14:38:27.905418Z",
"structure_string": "V6 S8\n1.0\n4.549173 -7.879399 0.000000\n4.549173 7.879399 0.000000\n-0.000000 -0.000000 3.253908\nV S\n6 8\ndirect\n0.116745 0.488331 0.250000 V\n0.488330 0.371584 0.750000 V\n0.628415 0.116745 0.750000 V\n0.371584 0.883255 0.250000 V\n0.511669 0.628415 0.250000 V\n0.883255 0.511669 0.750000 V\n0.666667 0.333333 0.250000 S\n0.333333 0.666667 0.750000 S\n0.293188 0.345232 0.250000 S\n0.345232 0.052043 0.750000 S\n0.947956 0.293188 0.750000 S\n0.052043 0.706811 0.250000 S\n0.706811 0.654768 0.750000 S\n0.654767 0.947956 0.250000 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 4.0017981548162185,
"density_atomic": 0.060016024550687934,
"volume": 233.2710322753213,
"volume_molar": 10.034221368517771,
"formula_full": "V6 S8",
"formula_reduced": "V3S4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.209787514285714,
"spacegroup": 176
},
{
"id": "jvasp-89946",
"created_at": "2022-09-04T14:36:13.733408Z",
"updated_at": "2022-09-04T14:36:13.733418Z",
"structure_string": "Dy6 Co1 Te2\n1.0\n0.000000 0.000000 -3.887666\n-4.161829 -7.208499 0.000000\n-4.161674 7.208410 0.000000\nDy Co Te\n6 1 2\ndirect\n0.500000 0.600088 0.000000 Dy\n0.500000 0.399876 0.399892 Dy\n0.500000 0.999983 0.600107 Dy\n0.000000 0.235012 0.000000 Dy\n0.000000 0.764968 0.764985 Dy\n0.000000 0.999984 0.235015 Dy\n0.500000 0.000019 0.000000 Co\n0.000000 0.333317 0.666666 Te\n0.000000 0.666651 0.333334 Te\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"Co",
"Te"
],
"chemical_system": "Co-Dy-Te",
"density": 9.17718825702275,
"density_atomic": 0.038583823400434605,
"volume": 233.25837635620695,
"volume_molar": 15.60794195406816,
"formula_full": "Dy6 Co1 Te2",
"formula_reduced": "Dy6CoTe2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.7063772703703706,
"spacegroup": 189
},
{
"id": "jvasp-122099",
"created_at": "2022-09-04T14:38:55.243044Z",
"updated_at": "2022-09-04T14:38:55.243071Z",
"structure_string": "Rb1 Tm1 W2 O8\n1.0\n5.980666 -0.000000 0.000000\n-2.990332 5.179410 0.000000\n-0.000000 -0.000000 7.529387\nRb Tm W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Tm\n0.333334 0.666667 0.242186 W\n0.666667 0.333333 0.757814 W\n0.168071 0.831930 0.320151 O\n0.831930 0.168070 0.679850 O\n0.168071 0.336141 0.320151 O\n0.831930 0.663859 0.679850 O\n0.663860 0.831930 0.320151 O\n0.336141 0.168070 0.679850 O\n0.333334 0.666667 0.007907 O\n0.666667 0.333333 0.992094 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Tm",
"W",
"O"
],
"chemical_system": "O-Rb-Tm-W",
"density": 5.3402994196816485,
"density_atomic": 0.051450759023033935,
"volume": 233.23271080661283,
"volume_molar": 11.704668452614966,
"formula_full": "Rb1 Tm1 W2 O8",
"formula_reduced": "RbTm(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-116838",
"created_at": "2022-09-04T14:38:46.070123Z",
"updated_at": "2022-09-04T14:38:46.070153Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.464102 0.043994 1.753722\n0.265945 6.458778 1.753722\n0.007665 0.007406 5.591682\nTi Mn V O\n1 1 4 12\ndirect\n0.086290 0.913710 0.499999 Ti\n0.915645 0.084354 -0.000000 Mn\n0.803102 0.604437 0.009932 V\n0.610818 0.801119 0.509490 V\n0.395563 0.196898 -0.009933 V\n0.198881 0.389183 0.490509 V\n0.182403 0.028003 0.108469 O\n0.383575 0.332777 0.675712 O\n0.365101 0.922332 0.497290 O\n0.333970 0.387101 0.176479 O\n0.667223 0.616425 0.324287 O\n0.817599 0.971089 0.373461 O\n0.612899 0.666030 0.823520 O\n0.077669 0.634900 0.502709 O\n0.905761 0.357405 0.025148 O\n0.971997 0.817597 0.891530 O\n0.642594 0.094240 0.974852 O\n0.028910 0.182402 0.626538 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Ti-V",
"density": 3.5497759819491352,
"density_atomic": 0.07717978656650158,
"volume": 233.221686671683,
"volume_molar": 7.8027434745638375,
"formula_full": "Ti1 Mn1 V4 O12",
"formula_reduced": "TiMnV4O12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.665244687484035,
"spacegroup": 5
},
{
"id": "jvasp-46644",
"created_at": "2022-09-04T14:38:00.160623Z",
"updated_at": "2022-09-04T14:38:00.160633Z",
"structure_string": "Li14 Mn2 O9\n1.0\n2.903684 -5.029327 0.000000\n2.903684 5.029327 -0.000000\n-0.000000 -0.000000 7.984642\nLi Mn O\n14 2 9\ndirect\n0.358589 0.297348 0.094730 Li\n0.641410 0.702650 0.905269 Li\n0.312329 0.373779 0.585681 Li\n0.061239 0.358589 0.905269 Li\n0.297348 0.938760 0.905269 Li\n0.938549 0.312328 0.414318 Li\n0.061450 0.687670 0.585681 Li\n0.626219 0.938548 0.585681 Li\n0.938760 0.641410 0.094730 Li\n0.000000 0.000000 0.260323 Li\n0.000000 0.000000 0.739676 Li\n0.687670 0.626219 0.414318 Li\n0.373780 0.061450 0.414318 Li\n0.702651 0.061239 0.094730 Li\n0.666666 0.333332 0.747036 Mn\n0.333332 0.666666 0.252963 Mn\n0.333332 0.666666 0.005660 O\n0.979642 0.310727 0.658609 O\n0.020356 0.689272 0.341391 O\n0.331084 0.020356 0.658609 O\n0.666666 0.333332 0.994340 O\n0.689271 0.668915 0.658609 O\n0.310728 0.331084 0.341391 O\n0.000000 0.000000 0.000000 O\n0.668915 0.979642 0.341391 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.499578818673044,
"density_atomic": 0.10720013662623355,
"volume": 233.20865799980808,
"volume_molar": 5.617661459702178,
"formula_full": "Li14 Mn2 O9",
"formula_reduced": "Li14Mn2O9",
"formula_anonymous": "A2B9C14",
"energy_above_hull": 1.9622402393103449,
"spacegroup": 147
},
{
"id": "jvasp-21594",
"created_at": "2022-09-04T14:37:59.680228Z",
"updated_at": "2022-09-04T14:37:59.680257Z",
"structure_string": "Ba2 Nd2 Cu2 B2 O10\n1.0\n5.547599 -0.000000 0.000000\n-0.000000 5.547599 -0.000000\n-0.000000 -0.000000 7.577454\nBa Nd Cu B O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.510070 Ba\n0.000000 0.000000 0.510070 Ba\n0.500000 0.500000 0.003490 Nd\n0.000000 0.000000 0.003490 Nd\n0.000000 0.500000 0.780683 Cu\n0.500000 0.000000 0.780683 Cu\n0.500000 0.000000 0.266151 B\n0.000000 0.500000 0.266151 B\n0.247650 0.252350 0.797348 O\n0.252350 0.752350 0.797348 O\n0.655437 0.844563 0.178273 O\n0.844563 0.344563 0.178273 O\n0.344563 0.155437 0.178273 O\n0.000000 0.500000 0.449761 O\n0.155437 0.655437 0.178273 O\n0.752350 0.747650 0.797348 O\n0.500000 0.000000 0.449761 O\n0.747650 0.247650 0.797348 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Cu",
"B",
"O"
],
"chemical_system": "B-Ba-Cu-Nd-O",
"density": 6.208053426795045,
"density_atomic": 0.07718609579033879,
"volume": 233.202623033215,
"volume_molar": 7.802105675040216,
"formula_full": "Ba2 Nd2 Cu2 B2 O10",
"formula_reduced": "BaNdCuBO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.0025120003703694,
"spacegroup": 100
},
{
"id": "jvasp-63896",
"created_at": "2022-09-04T14:36:11.365222Z",
"updated_at": "2022-09-04T14:36:11.365252Z",
"structure_string": "Ba4 Fe1 Co1\n1.0\n0.000000 4.885287 4.885287\n4.885287 0.000000 4.885287\n4.885287 4.885287 -0.000000\nBa Fe Co\n4 1 1\ndirect\n0.125235 0.624922 0.624922 Ba\n0.624922 0.624922 0.624922 Ba\n0.624922 0.125235 0.624922 Ba\n0.624922 0.624922 0.125235 Ba\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Co"
],
"chemical_system": "Ba-Co-Fe",
"density": 4.729043469165964,
"density_atomic": 0.025730664774307986,
"volume": 233.18480313773264,
"volume_molar": 23.40452845980526,
"formula_full": "Ba4 Fe1 Co1",
"formula_reduced": "Ba4FeCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2795767133333331,
"spacegroup": 216
},
{
"id": "jvasp-119525",
"created_at": "2022-09-04T14:38:34.854671Z",
"updated_at": "2022-09-04T14:38:34.854698Z",
"structure_string": "Li2 Co6 O4 F12\n1.0\n4.465804 0.011705 0.024019\n0.016842 5.275528 -0.652425\n-0.062247 0.050289 9.890723\nLi Co O F\n2 6 4 12\ndirect\n-0.000020 0.000003 0.000004 Li\n0.499982 -0.000017 0.499993 Li\n0.499997 0.499994 -0.000001 Co\n0.000001 0.500010 0.500001 Co\n0.017898 0.270891 0.755244 Co\n0.982102 0.729110 0.244752 Co\n0.483019 0.273379 0.253659 Co\n0.516985 0.726624 0.746343 Co\n0.815041 0.518181 0.673012 O\n0.321228 0.474524 0.823836 O\n0.678780 0.525463 0.176161 O\n0.184979 0.481837 0.326989 O\n0.707236 0.019492 0.683577 F\n0.199842 0.721700 0.068706 F\n0.689439 0.288429 0.421957 F\n0.310576 0.711577 0.578043 F\n0.800152 0.278292 0.931289 F\n0.300019 0.237213 0.076085 F\n0.810019 0.778021 0.435695 F\n0.189998 0.221998 0.564303 F\n0.699972 0.762787 0.923920 F\n0.786969 0.029372 0.177759 F\n0.292750 0.980520 0.316423 F\n0.213012 0.970613 0.822241 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.696330891019278,
"density_atomic": 0.1029277863175753,
"volume": 233.17318732523745,
"volume_molar": 5.850840648043449,
"formula_full": "Li2 Co6 O4 F12",
"formula_reduced": "LiCo3(OF3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.31275261625,
"spacegroup": 2
},
{
"id": "jvasp-99259",
"created_at": "2022-09-04T14:36:05.146927Z",
"updated_at": "2022-09-04T14:36:05.146954Z",
"structure_string": "Eu2 Zn4 Sn4\n1.0\n4.490540 0.000000 -0.000000\n-0.000000 4.490540 0.000000\n-0.000000 -0.000000 11.563060\nEu Zn Sn\n2 4 4\ndirect\n0.750000 0.750000 0.255348 Eu\n0.250000 0.250000 0.744652 Eu\n0.250000 0.750000 0.000000 Zn\n0.750000 0.250000 0.000000 Zn\n0.250000 0.250000 0.358455 Zn\n0.750000 0.750000 0.641545 Zn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.250000 0.250000 0.137546 Sn\n0.750000 0.750000 0.862454 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"Sn"
],
"chemical_system": "Eu-Sn-Zn",
"density": 7.4093684714088015,
"density_atomic": 0.04288743593157048,
"volume": 233.16852086834032,
"volume_molar": 14.04173653470143,
"formula_full": "Eu2 Zn4 Sn4",
"formula_reduced": "Eu(ZnSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0070579999999999,
"spacegroup": 129
},
{
"id": "jvasp-21355",
"created_at": "2022-09-04T14:37:16.148310Z",
"updated_at": "2022-09-04T14:37:16.148331Z",
"structure_string": "Zn2 Cr2 Si4 O12\n1.0\n5.175558 0.165729 1.245156\n1.517016 6.669912 0.445026\n0.196918 -0.215300 6.848503\nZn Cr Si O\n2 2 4 12\ndirect\n0.750001 0.240430 0.759570 Zn\n0.250002 0.759570 0.240432 Zn\n0.249999 0.100834 0.899166 Cr\n0.750000 0.899168 0.100834 Cr\n0.233205 0.218062 0.387400 Si\n0.266795 0.612600 0.781938 Si\n0.733205 0.387400 0.218063 Si\n0.766796 0.781938 0.612600 Si\n0.646537 0.966228 0.787302 O\n0.853465 0.212698 0.033772 O\n0.622967 0.615338 0.145036 O\n0.877034 0.854966 0.384663 O\n0.377034 0.384661 0.854965 O\n0.020840 0.619033 0.675167 O\n0.979161 0.380967 0.324834 O\n0.520841 0.675167 0.619035 O\n0.353464 0.033772 0.212699 O\n0.479162 0.324834 0.380966 O\n0.122967 0.145034 0.615338 O\n0.146537 0.787302 0.966228 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si-Zn",
"density": 3.839723528055495,
"density_atomic": 0.0857778726443719,
"volume": 233.16036389615746,
"volume_molar": 7.020622655177411,
"formula_full": "Zn2 Cr2 Si4 O12",
"formula_reduced": "ZnCr(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6364566000000003,
"spacegroup": 15
},
{
"id": "jvasp-52403",
"created_at": "2022-09-04T14:36:34.560627Z",
"updated_at": "2022-09-04T14:36:34.560658Z",
"structure_string": "Na2 Cu1 H4 C4 O10\n1.0\n3.528449 0.026786 -0.028603\n-1.708849 7.302858 0.023614\n-1.433370 -2.696973 9.040515\nNa Cu H C O\n2 1 4 4 10\ndirect\n0.689757 0.301526 0.576027 Na\n0.310243 0.698475 0.423972 Na\n0.000000 0.000000 0.000000 Cu\n0.468954 0.531949 0.801847 H\n0.531046 0.468052 0.198153 H\n0.346147 0.325918 0.827011 H\n0.653853 0.674083 0.172988 H\n0.738533 0.026002 0.257036 C\n0.261467 0.973999 0.742963 C\n0.040232 0.219145 0.278447 C\n0.959768 0.780856 0.721553 C\n0.293823 0.400912 0.757843 O\n0.188560 0.234572 0.164909 O\n0.811440 0.765429 0.835091 O\n0.672271 0.904502 0.127547 O\n0.327729 0.095499 0.872452 O\n0.125737 0.344273 0.398850 O\n0.874263 0.655728 0.601149 O\n0.576131 -0.001671 0.358689 O\n0.423870 0.001672 0.641310 O\n0.706178 0.599089 0.242157 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Na",
"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Cu-H-Na-O",
"density": 2.290354433280673,
"density_atomic": 0.09006681836970575,
"volume": 233.16022904017018,
"volume_molar": 6.686303423398784,
"formula_full": "Na2 Cu1 H4 C4 O10",
"formula_reduced": "Na2CuH4(C2O5)2",
"formula_anonymous": "AB2C4D4E10",
"energy_above_hull": 3.36219445,
"spacegroup": 2
}
]
}