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=435",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=433",
"results": [
{
"id": "jvasp-42984",
"created_at": "2022-09-04T14:37:28.482411Z",
"updated_at": "2022-09-04T14:37:28.482433Z",
"structure_string": "Li2 Nb1 Cr3 O8\n1.0\n5.956602 0.005907 0.004177\n2.983416 5.155616 0.004177\n2.983416 1.722476 4.859369\nLi Nb Cr O\n2 1 3 8\ndirect\n0.126765 0.126766 0.126766 Li\n0.873234 0.873236 0.873236 Li\n0.500000 0.500001 0.500001 Nb\n0.000000 0.500001 0.500000 Cr\n0.500000 0.000001 0.500000 Cr\n0.500000 0.500000 0.000001 Cr\n0.264928 0.264928 0.264928 O\n0.259251 0.259251 0.719503 O\n0.259250 0.719503 0.259251 O\n0.719502 0.259251 0.259251 O\n0.280497 0.740750 0.740750 O\n0.740749 0.280498 0.740750 O\n0.740749 0.740750 0.280499 O\n0.735071 0.735073 0.735073 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Nb-O",
"density": 4.353232868786198,
"density_atomic": 0.09392204359312699,
"volume": 149.05978899531195,
"volume_molar": 6.411850221326196,
"formula_full": "Li2 Nb1 Cr3 O8",
"formula_reduced": "Li2NbCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.4121356857142864,
"spacegroup": 166
},
{
"id": "jvasp-28980",
"created_at": "2022-09-04T14:37:33.281346Z",
"updated_at": "2022-09-04T14:37:33.281371Z",
"structure_string": "Te4 Mo1 W3 Se4\n1.0\n3.445845 0.000000 0.000000\n-1.722922 2.984310 0.000048\n0.000000 0.000578 35.205144\nTe Mo W Se\n4 1 3 4\ndirect\n0.334875 0.669749 0.330774 Te\n0.331417 0.662833 0.721858 Te\n0.334444 0.668887 0.224659 Te\n0.331754 0.663508 0.615816 Te\n0.331371 0.662738 0.082816 Mo\n0.335735 0.671470 0.473502 W\n0.667995 0.335989 0.277721 W\n0.664913 0.329823 0.668878 W\n0.664682 0.329360 0.036424 Se\n0.669132 0.338261 0.426858 Se\n0.664705 0.329407 0.129301 Se\n0.668992 0.337979 0.520142 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.759465933459161,
"density_atomic": 0.03314632991337435,
"volume": 362.03103122913376,
"volume_molar": 18.16834857958166,
"formula_full": "Te4 Mo1 W3 Se4",
"formula_reduced": "Te4MoW3Se4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.9406967027777786,
"spacegroup": 156
},
{
"id": "jvasp-21962",
"created_at": "2022-09-04T14:37:32.369135Z",
"updated_at": "2022-09-04T14:37:32.369157Z",
"structure_string": "Ba2 Sm1 Re1 O6\n1.0\n5.224443 -0.000000 3.016333\n1.741481 4.925652 3.016333\n0.000000 0.000000 6.032666\nBa Sm Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Re\n0.231508 0.768491 0.768492 O\n0.231508 0.768491 0.231508 O\n0.768491 0.231508 0.768492 O\n0.231508 0.231508 0.768492 O\n0.768491 0.231508 0.231508 O\n0.768491 0.768491 0.231508 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sm",
"Re",
"O"
],
"chemical_system": "Ba-O-Re-Sm",
"density": 7.564653377546515,
"density_atomic": 0.06441499806981207,
"volume": 155.24334859347724,
"volume_molar": 9.34897297283668,
"formula_full": "Ba2 Sm1 Re1 O6",
"formula_reduced": "Ba2SmReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4067649814999994,
"spacegroup": 225
},
{
"id": "jvasp-49706",
"created_at": "2022-09-04T14:37:16.689438Z",
"updated_at": "2022-09-04T14:37:16.689449Z",
"structure_string": "Ca1 Cu3 Sn4 O12\n1.0\n6.328265 -0.000000 -2.237379\n-3.164132 5.480439 -2.237379\n-0.000000 0.000000 6.712138\nCa Cu Sn O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500001 0.500000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.693104 0.523635 0.830533 O\n0.169468 0.306897 0.476365 O\n0.523636 0.830532 0.693103 O\n0.693104 0.862571 0.169468 O\n0.137430 0.830532 0.306897 O\n0.169468 0.693103 0.862571 O\n0.306898 0.476365 0.169468 O\n0.830533 0.693103 0.523635 O\n0.862571 0.169468 0.693103 O\n0.830533 0.306897 0.137430 O\n0.476366 0.169468 0.306897 O\n0.306897 0.137429 0.830532 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"Sn",
"O"
],
"chemical_system": "Ca-Cu-O-Sn",
"density": 6.402451330147381,
"density_atomic": 0.08591502352300186,
"volume": 232.78815718004708,
"volume_molar": 7.009415248996241,
"formula_full": "Ca1 Cu3 Sn4 O12",
"formula_reduced": "CaCu3(SnO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.7469665284999998,
"spacegroup": 204
},
{
"id": "jvasp-35133",
"created_at": "2022-09-04T14:37:32.892428Z",
"updated_at": "2022-09-04T14:37:32.892451Z",
"structure_string": "Ca2 Al4 Si2 O12\n1.0\n0.015720 0.000000 5.307478\n-4.667894 4.341420 1.325676\n-4.667894 -4.341420 1.325676\nCa Al Si O\n2 4 2 12\ndirect\n0.240079 0.321256 0.693568 Ca\n0.740079 0.693568 0.321256 Ca\n0.210548 0.809151 0.612460 Al\n0.710549 0.612460 0.809151 Al\n0.261080 0.910861 0.088846 Al\n0.761080 0.088846 0.910861 Al\n0.281760 0.382543 0.188752 Si\n0.781760 0.188752 0.382543 Si\n0.623640 0.827491 0.975534 O\n0.012987 0.333390 0.358366 O\n0.700098 0.110052 0.626549 O\n0.874605 0.020083 0.200589 O\n0.512987 0.358366 0.333390 O\n0.322952 0.914228 0.358217 O\n0.374605 0.200589 0.020083 O\n0.972263 0.661034 0.607021 O\n0.822952 0.358217 0.914228 O\n0.123639 0.975534 0.827491 O\n0.200098 0.626549 0.110052 O\n0.472263 0.607021 0.661034 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.3646846295903647,
"density_atomic": 0.09289532317736934,
"volume": 215.29609151381146,
"volume_molar": 6.48271684087007,
"formula_full": "Ca2 Al4 Si2 O12",
"formula_reduced": "CaAl2SiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.136462562,
"spacegroup": 9
},
{
"id": "jvasp-21961",
"created_at": "2022-09-04T14:37:32.366706Z",
"updated_at": "2022-09-04T14:37:32.366731Z",
"structure_string": "Rb2 Na1 Y1 F6\n1.0\n5.431934 -0.000000 3.136129\n1.810645 5.121277 3.136129\n-0.000000 -0.000000 6.272257\nRb Na Y F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.244780 0.755220 0.755220 F\n0.244780 0.755220 0.244781 F\n0.755218 0.244781 0.755220 F\n0.244780 0.244781 0.755220 F\n0.755218 0.244781 0.244781 F\n0.755218 0.755220 0.244782 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Y",
"F"
],
"chemical_system": "F-Na-Rb-Y",
"density": 3.776485725721937,
"density_atomic": 0.0573117149392392,
"volume": 174.48439661248685,
"volume_molar": 10.507695968240629,
"formula_full": "Rb2 Na1 Y1 F6",
"formula_reduced": "Rb2NaYF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-45278",
"created_at": "2022-09-04T14:37:27.113623Z",
"updated_at": "2022-09-04T14:37:27.113633Z",
"structure_string": "Ba4 Cu2 Si4 O14\n1.0\n8.398701 0.000000 0.000000\n0.000000 8.398701 -0.000000\n0.000000 -0.000000 5.318893\nBa Cu Si O\n4 2 4 14\ndirect\n0.666793 0.166793 0.507283 Ba\n0.833207 0.666793 0.492716 Ba\n0.166793 0.333207 0.492716 Ba\n0.333207 0.833207 0.507283 Ba\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.865684 0.365684 0.975755 Si\n0.634316 0.865684 0.024245 Si\n0.365684 0.134316 0.024245 Si\n0.134316 0.634316 0.975755 Si\n0.500000 0.000000 0.129971 O\n0.000000 0.500000 0.870029 O\n0.633812 0.866188 0.720313 O\n0.866188 0.366188 0.279686 O\n0.078664 0.802604 0.842759 O\n0.197396 0.078664 0.157241 O\n0.302604 0.578664 0.842759 O\n0.921335 0.197396 0.842759 O\n0.578664 0.697395 0.157241 O\n0.421335 0.302604 0.157241 O\n0.133812 0.633812 0.279686 O\n0.697395 0.421335 0.842759 O\n0.802604 0.921335 0.157241 O\n0.366188 0.133812 0.720313 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Si",
"O"
],
"chemical_system": "Ba-Cu-O-Si",
"density": 4.4822783432914415,
"density_atomic": 0.06396843817911167,
"volume": 375.18502378938786,
"volume_molar": 9.414237601265178,
"formula_full": "Ba4 Cu2 Si4 O14",
"formula_reduced": "Ba2CuSi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.0334436741666666,
"spacegroup": 113
},
{
"id": "jvasp-9194",
"created_at": "2022-09-04T14:37:16.706261Z",
"updated_at": "2022-09-04T14:37:16.706282Z",
"structure_string": "Ba2 Y1 Ni3 O8\n1.0\n3.864880 -0.000000 0.000000\n0.000000 3.864880 0.000000\n-0.000000 0.000000 11.577656\nBa Y Ni O\n2 1 3 8\ndirect\n0.500000 0.500000 0.829904 Ba\n0.500000 0.500000 0.170105 Ba\n0.500000 0.500000 0.499997 Y\n0.000000 0.000000 0.655073 Ni\n0.000000 0.000000 0.000045 Ni\n0.000000 0.000000 0.344927 Ni\n0.500000 0.000000 0.620921 O\n0.000000 0.500000 0.620921 O\n0.000000 0.500000 -0.000006 O\n0.000000 0.000000 0.820376 O\n0.500000 0.000000 0.379072 O\n0.000000 0.500000 0.379072 O\n0.000000 0.000000 0.179599 O\n0.500000 0.000000 -0.000006 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Y",
"density": 6.410555822569614,
"density_atomic": 0.08095345076128042,
"volume": 172.93889103361263,
"volume_molar": 7.439016747733695,
"formula_full": "Ba2 Y1 Ni3 O8",
"formula_reduced": "Ba2YNi3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.0453087564285712,
"spacegroup": 123
},
{
"id": "jvasp-43617",
"created_at": "2022-09-04T14:37:14.478275Z",
"updated_at": "2022-09-04T14:37:14.478303Z",
"structure_string": "Li4 V6 Sn2 O16\n1.0\n5.844980 0.000145 -0.000279\n-2.922365 5.061685 0.000559\n0.000397 -0.000687 9.850272\nLi V Sn O\n4 6 2 16\ndirect\n0.333329 0.666669 0.894831 Li\n-0.000091 0.999958 0.991951 Li\n0.000093 0.000050 0.491951 Li\n0.666672 0.333341 0.394831 Li\n0.175636 0.351384 0.214027 V\n0.824365 0.175748 0.714026 V\n0.824352 0.648631 0.714022 V\n0.648527 0.824276 0.214016 V\n0.175650 0.824281 0.214022 V\n0.351474 0.175749 0.714016 V\n0.333385 0.666707 0.494134 Sn\n0.666616 0.333320 0.994134 Sn\n0.319023 0.159519 0.103364 O\n0.840395 0.680882 0.103378 O\n0.666742 0.333380 0.596198 O\n0.515630 0.031176 0.839820 O\n0.515630 0.484478 0.839822 O\n0.680978 0.840497 0.603364 O\n0.484371 0.515546 0.339821 O\n0.031143 0.515590 0.339847 O\n0.159616 0.319138 0.603374 O\n0.000071 0.000049 0.805135 O\n-0.000071 -0.000023 0.305135 O\n0.333259 0.666640 0.096198 O\n0.968858 0.484447 0.839847 O\n0.159607 0.840489 0.603378 O\n0.484372 0.968850 0.339822 O\n0.840385 0.159522 0.103374 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn-V",
"density": 4.711175317647405,
"density_atomic": 0.09607832890264327,
"volume": 291.4288822443255,
"volume_molar": 6.267949108588547,
"formula_full": "Li4 V6 Sn2 O16",
"formula_reduced": "Li2V3SnO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.847777307142857,
"spacegroup": 186
},
{
"id": "jvasp-34355",
"created_at": "2022-09-04T14:37:18.719430Z",
"updated_at": "2022-09-04T14:37:18.719451Z",
"structure_string": "Ho6 Cu2 Sn2 S14\n1.0\n4.840937 -8.384749 0.000000\n4.840937 8.384750 0.000000\n0.000000 0.000000 6.228957\nHo Cu Sn S\n6 2 2 14\ndirect\n0.154359 0.794178 0.274532 Ho\n0.360182 0.154359 0.774532 Ho\n0.639818 0.845641 0.274532 Ho\n0.845641 0.205822 0.774532 Ho\n0.794178 0.639818 0.774532 Ho\n0.205822 0.360182 0.274532 Ho\n0.000000 0.000000 0.155483 Cu\n0.000000 0.000000 0.655483 Cu\n0.333333 0.666667 0.837941 Sn\n0.666667 0.333333 0.337941 Sn\n0.735316 0.881165 0.693596 S\n0.145849 0.264684 0.693596 S\n0.521202 0.441466 0.522336 S\n0.920266 0.478798 0.522336 S\n0.881165 0.145849 0.193596 S\n0.118836 0.854152 0.693596 S\n0.264684 0.118836 0.193596 S\n0.558534 0.079735 0.522336 S\n0.441467 0.920266 0.022336 S\n0.478798 0.558534 0.022336 S\n0.333333 0.666667 0.452183 S\n0.079735 0.521202 0.022336 S\n0.854152 0.735316 0.193596 S\n0.666667 0.333333 0.952183 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ho",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-Ho-S-Sn",
"density": 5.920807166085868,
"density_atomic": 0.04746203881261585,
"volume": 505.6672785329352,
"volume_molar": 12.688331371047758,
"formula_full": "Ho6 Cu2 Sn2 S14",
"formula_reduced": "Ho3CuSnS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.6459890708333336,
"spacegroup": 173
},
{
"id": "jvasp-10558",
"created_at": "2022-09-04T14:37:18.701505Z",
"updated_at": "2022-09-04T14:37:18.701528Z",
"structure_string": "Ba2 Sm4 Pt2 O10\n1.0\n6.712310 -0.000000 -0.000000\n-0.000000 6.712310 0.000000\n0.000000 0.000000 5.956778\nBa Sm Pt O\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.826515 0.673485 0.500000 Sm\n0.673485 0.173485 0.500000 Sm\n0.326515 0.826515 0.500000 Sm\n0.173485 0.326515 0.500000 Sm\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.639781 0.860219 0.743239 O\n0.139781 0.639781 0.743239 O\n0.639781 0.860219 0.256761 O\n0.360219 0.139781 0.256761 O\n0.500000 0.500000 0.500000 O\n0.139781 0.639781 0.256761 O\n0.000000 0.000000 0.500000 O\n0.860219 0.360219 0.743239 O\n0.860219 0.360219 0.256761 O\n0.360219 0.139781 0.743239 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Sm",
"Pt",
"O"
],
"chemical_system": "Ba-O-Pt-Sm",
"density": 8.824521299205355,
"density_atomic": 0.06706826611718776,
"volume": 268.3832614451187,
"volume_molar": 8.97912098916881,
"formula_full": "Ba2 Sm4 Pt2 O10",
"formula_reduced": "BaSm2PtO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.979132513333333,
"spacegroup": 127
},
{
"id": "jvasp-22042",
"created_at": "2022-09-04T14:37:34.917967Z",
"updated_at": "2022-09-04T14:37:34.917991Z",
"structure_string": "K1 Li6 Ir1 O6\n1.0\n5.190485 0.017253 -1.045276\n-1.280055 5.030198 -1.045276\n0.013366 0.017253 5.294672\nK Li Ir O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.339573 -0.000001 0.660427 Li\n0.000001 0.660427 0.339572 Li\n0.339573 0.660427 -0.000001 Li\n0.000001 0.339573 0.660427 Li\n0.660427 -0.000001 0.339572 Li\n0.660427 0.339573 -0.000001 Li\n0.000000 0.000000 0.000000 Ir\n0.724536 0.081440 0.724536 O\n0.724537 0.724537 0.081439 O\n0.275464 0.918560 0.275462 O\n0.275464 0.275463 0.918559 O\n0.918559 0.275463 0.275462 O\n0.081442 0.724537 0.724536 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Li",
"Ir",
"O"
],
"chemical_system": "Ir-K-Li-O",
"density": 4.422223236041758,
"density_atomic": 0.1010515599276153,
"volume": 138.54313590040968,
"volume_molar": 5.959473326600546,
"formula_full": "K1 Li6 Ir1 O6",
"formula_reduced": "KLi6IrO6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 1.8434692928571428,
"spacegroup": 166
}
]
}