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=spacegroup&page=478",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=476",
"results": [
{
"id": "jvasp-42046",
"created_at": "2022-09-04T14:37:40.576958Z",
"updated_at": "2022-09-04T14:37:40.576985Z",
"structure_string": "K4 In2 P4 S14\n1.0\n7.039565 5.355200 -0.002881\n-7.039565 5.355200 0.002881\n-2.794595 0.000000 8.176401\nK In P S\n4 2 4 14\ndirect\n0.388025 0.043840 0.159336 K\n0.043840 0.388026 0.840664 K\n0.611975 0.956161 0.840664 K\n0.956160 0.611975 0.159336 K\n0.311164 0.311163 0.500000 In\n0.688837 0.688837 0.500000 In\n0.063315 0.936686 0.441142 P\n0.936685 0.063316 0.558858 P\n0.611465 0.388535 0.821534 P\n0.388535 0.611465 0.178466 P\n0.266285 0.733715 0.978422 S\n0.733715 0.266285 0.021579 S\n0.992092 0.695740 0.536423 S\n0.695740 0.992093 0.463577 S\n0.007906 0.304260 0.463577 S\n0.304259 0.007907 0.536423 S\n0.366835 0.308089 0.809274 S\n0.006838 0.993162 0.198031 S\n0.633164 0.691910 0.190726 S\n0.691910 0.633164 0.809274 S\n0.644327 0.355673 0.598206 S\n0.308089 0.366835 0.190726 S\n0.993162 0.006840 0.801969 S\n0.355673 0.644328 0.401793 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"In",
"P",
"S"
],
"chemical_system": "In-K-P-S",
"density": 2.5830909143119243,
"density_atomic": 0.038936624434564596,
"volume": 616.3862519806637,
"volume_molar": 15.466519883151607,
"formula_full": "K4 In2 P4 S14",
"formula_reduced": "K2InP2S7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.6528880808333335,
"spacegroup": 12
},
{
"id": "jvasp-35382",
"created_at": "2022-09-04T14:37:40.709093Z",
"updated_at": "2022-09-04T14:37:40.709118Z",
"structure_string": "Lu2 Cr2 C3\n1.0\n-0.000000 3.286608 0.000000\n0.025867 0.000000 5.438494\n4.983373 -1.643303 -1.505364\nLu Cr C\n2 2 3\ndirect\n0.608725 0.316123 0.217450 Lu\n0.391277 0.683877 0.782551 Lu\n0.845504 0.116714 0.691005 Cr\n0.154498 0.883286 0.308995 Cr\n0.280019 0.238043 0.560035 C\n0.719983 0.761958 0.439965 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Lu",
"Cr",
"C"
],
"chemical_system": "C-Cr-Lu",
"density": 9.120837724563296,
"density_atomic": 0.07847377634340291,
"volume": 89.20177320596693,
"volume_molar": 7.674080489827562,
"formula_full": "Lu2 Cr2 C3",
"formula_reduced": "Lu2Cr2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.883725185714286,
"spacegroup": 12
},
{
"id": "jvasp-14165",
"created_at": "2022-09-04T14:37:40.566389Z",
"updated_at": "2022-09-04T14:37:40.566408Z",
"structure_string": "Li2 S2 O6 F2\n1.0\n4.726562 -0.055583 0.062294\n-0.069479 5.624531 -0.656692\n0.069479 -0.014102 5.662720\nLi S O F\n2 2 6 2\ndirect\n0.000000 0.808386 0.808387 Li\n0.000000 0.191614 0.191614 Li\n0.711254 0.707851 0.292150 S\n0.288745 0.292150 0.707850 S\n0.232264 0.211125 0.463101 O\n0.767736 0.463102 0.211124 O\n0.195254 0.126079 0.873921 O\n0.804745 0.873922 0.126079 O\n0.232264 0.536899 0.788875 O\n0.767736 0.788876 0.536899 O\n0.373813 0.717744 0.282256 F\n0.626186 0.282256 0.717744 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"S",
"O",
"F"
],
"chemical_system": "F-Li-O-S",
"density": 2.3398662551138556,
"density_atomic": 0.07975844098556586,
"volume": 150.4542948898873,
"volume_molar": 7.550474514778751,
"formula_full": "Li2 S2 O6 F2",
"formula_reduced": "LiSO3F",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.47956346375,
"spacegroup": 12
},
{
"id": "jvasp-57390",
"created_at": "2022-09-04T14:37:50.922335Z",
"updated_at": "2022-09-04T14:37:50.922364Z",
"structure_string": "Li4 Ni2 O6\n1.0\n4.820336 0.000527 -0.805924\n-2.607189 4.054406 -0.805924\n-0.006297 -0.011538 4.959707\nLi Ni O\n4 2 6\ndirect\n0.336745 0.663256 0.500001 Li\n-0.000000 -0.000000 0.500000 Li\n0.663256 0.336745 0.500001 Li\n0.500001 0.500001 0.000001 Li\n0.166835 0.833166 0.000001 Ni\n0.833166 0.166836 0.000001 Ni\n0.574878 0.930952 0.223930 O\n0.425123 0.069049 0.776072 O\n0.779576 0.779576 0.772749 O\n0.930952 0.574878 0.223930 O\n0.069049 0.425123 0.776072 O\n0.220425 0.220425 0.227254 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.134680988432184,
"density_atomic": 0.12390588446545175,
"volume": 96.8477005896029,
"volume_molar": 4.860254043607697,
"formula_full": "Li4 Ni2 O6",
"formula_reduced": "Li2NiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5088488166666667,
"spacegroup": 12
},
{
"id": "jvasp-56967",
"created_at": "2022-09-04T14:37:40.731373Z",
"updated_at": "2022-09-04T14:37:40.731395Z",
"structure_string": "Sm3 Co2 Ge4\n1.0\n4.182270 0.000000 0.000000\n-2.091135 5.207381 -1.672085\n0.000000 -0.032475 8.150242\nSm Co Ge\n3 2 4\ndirect\n0.379960 0.759917 0.308139 Sm\n0.000000 0.000000 0.000000 Sm\n0.620041 0.240082 0.691862 Sm\n0.695434 0.390865 0.372157 Co\n0.304567 0.609134 0.627843 Co\n0.290915 0.581829 0.917796 Ge\n0.896459 0.792917 0.603419 Ge\n0.709086 0.418169 0.082204 Ge\n0.103541 0.207082 0.396581 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Sm",
"density": 8.051045644863079,
"density_atomic": 0.05076876408071275,
"volume": 177.27435684059,
"volume_molar": 11.861901444805575,
"formula_full": "Sm3 Co2 Ge4",
"formula_reduced": "Sm3(CoGe2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.8085813583333328,
"spacegroup": 12
},
{
"id": "jvasp-32156",
"created_at": "2022-09-04T14:37:40.747175Z",
"updated_at": "2022-09-04T14:37:40.747196Z",
"structure_string": "Mn2 Sb4 S8\n1.0\n3.804402 0.000000 0.523204\n1.891167 6.311978 0.341829\n0.060803 -0.072997 13.651050\nMn Sb S\n2 4 8\ndirect\n-0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.353852 0.426284 0.866012 Sb\n0.646147 0.573716 0.133988 Sb\n0.226681 0.918804 0.627832 Sb\n0.773318 0.081195 0.372168 Sb\n0.392498 0.760802 0.454202 S\n0.607501 0.239197 0.545798 S\n0.008912 0.151343 0.830832 S\n0.991087 0.848657 0.169168 S\n0.343790 0.272578 0.039842 S\n0.656210 0.727421 0.960158 S\n0.163426 0.347747 0.325401 S\n0.836573 0.652253 0.674599 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"S"
],
"chemical_system": "Mn-S-Sb",
"density": 4.325518594875904,
"density_atomic": 0.042731301164307296,
"volume": 327.6286847940393,
"volume_molar": 14.093043263166974,
"formula_full": "Mn2 Sb4 S8",
"formula_reduced": "Mn(SbS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3940984916256154,
"spacegroup": 12
},
{
"id": "jvasp-42144",
"created_at": "2022-09-04T14:37:40.771747Z",
"updated_at": "2022-09-04T14:37:40.771765Z",
"structure_string": "Th1 In1 Ag2\n1.0\n4.917286 -0.565036 1.445333\n-2.669352 4.253012 0.859790\n1.038268 -0.713637 4.757677\nTh In Ag\n1 1 2\ndirect\n0.500003 0.250003 0.249998 Th\n0.499995 0.749994 0.750009 In\n0.010170 0.499646 0.501600 Ag\n-0.010165 0.000357 -0.001607 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"In",
"Ag"
],
"chemical_system": "Ag-In-Th",
"density": 10.242768286628687,
"density_atomic": 0.04385653687250514,
"volume": 91.20647194803266,
"volume_molar": 13.731455307351101,
"formula_full": "Th1 In1 Ag2",
"formula_reduced": "ThInAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5351800225000001,
"spacegroup": 12
},
{
"id": "jvasp-35427",
"created_at": "2022-09-04T14:37:41.827541Z",
"updated_at": "2022-09-04T14:37:41.827567Z",
"structure_string": "Cr2 Co1 Te4\n1.0\n-0.000000 3.999758 0.000000\n0.009030 0.000000 6.860409\n5.777996 -1.999880 -3.373251\nCr Co Te\n2 1 4\ndirect\n0.254976 0.271459 0.509953 Cr\n0.745024 0.728542 0.490047 Cr\n0.000000 0.000000 0.000000 Co\n0.116072 0.449738 0.232143 Te\n0.883928 0.550262 0.767857 Te\n0.375134 0.035803 0.750267 Te\n0.624867 0.964198 0.249734 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cr",
"Co",
"Te"
],
"chemical_system": "Co-Cr-Te",
"density": 7.04659856347651,
"density_atomic": 0.04411674671826974,
"volume": 158.6699047575315,
"volume_molar": 13.650464297509261,
"formula_full": "Cr2 Co1 Te4",
"formula_reduced": "Cr2CoTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.676320966666667,
"spacegroup": 12
},
{
"id": "jvasp-48471",
"created_at": "2022-09-04T14:37:41.274536Z",
"updated_at": "2022-09-04T14:37:41.274565Z",
"structure_string": "Na4 V2 O6\n1.0\n2.652907 4.594619 -0.005360\n-2.652907 4.594619 0.005360\n-1.813738 0.000000 5.339552\nNa V O\n4 2 6\ndirect\n0.157682 0.157683 0.500000 Na\n0.842317 0.842318 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.667595 0.667595 0.000000 V\n0.332405 0.332405 0.000000 V\n0.308858 0.691142 0.797571 O\n0.068535 0.552708 0.200259 O\n0.447292 0.931465 0.200259 O\n0.931465 0.447292 0.799742 O\n0.552708 0.068535 0.799742 O\n0.691142 0.308858 0.202429 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 3.699959313513885,
"density_atomic": 0.09225141956868003,
"volume": 130.0792991165426,
"volume_molar": 6.527965410349694,
"formula_full": "Na4 V2 O6",
"formula_reduced": "Na2VO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5072987833333331,
"spacegroup": 12
},
{
"id": "jvasp-48768",
"created_at": "2022-09-04T14:37:41.342746Z",
"updated_at": "2022-09-04T14:37:41.342770Z",
"structure_string": "Li4 V2 O4 F2\n1.0\n-0.000000 -4.158842 -4.044429\n-2.033975 4.173952 -2.038101\n4.067951 -0.000000 0.000000\nLi V O F\n4 2 4 2\ndirect\n0.500153 -0.001816 -0.000908 Li\n0.166514 0.668482 0.334243 Li\n0.833333 0.333333 0.666667 Li\n0.333333 0.333333 0.666667 Li\n0.665752 0.630769 0.315385 V\n0.000915 0.035897 0.017948 V\n0.833333 0.333333 0.166667 O\n0.333333 0.333333 0.166667 O\n0.677878 0.674645 0.837323 O\n0.988788 0.992022 0.496011 O\n0.498706 0.978387 0.489195 F\n0.167961 0.688278 0.844140 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.7289364634800157,
"density_atomic": 0.11633246728172324,
"volume": 103.15263039113154,
"volume_molar": 5.176663833163732,
"formula_full": "Li4 V2 O4 F2",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.4906269137500008,
"spacegroup": 12
},
{
"id": "jvasp-54835",
"created_at": "2022-09-04T14:37:41.361933Z",
"updated_at": "2022-09-04T14:37:41.361952Z",
"structure_string": "Cd2 Bi2 Se4 I2\n1.0\n4.245405 -0.000000 0.000000\n-2.122702 6.895957 -0.138236\n0.000000 -0.050097 10.211763\nCd Bi Se I\n2 2 4 2\ndirect\n-0.000000 -0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.282865 0.565731 0.688425 Bi\n0.717134 0.434269 0.311574 Bi\n0.357211 0.714422 0.440223 Se\n0.642788 0.285578 0.559776 Se\n0.919866 0.839733 0.741681 Se\n0.080133 0.160267 0.258318 Se\n0.640328 0.280656 0.925123 I\n0.359671 0.719344 0.074876 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"Se",
"I"
],
"chemical_system": "Bi-Cd-I-Se",
"density": 6.7349551383276705,
"density_atomic": 0.03345247945200673,
"volume": 298.93150414595425,
"volume_molar": 18.002075955654604,
"formula_full": "Cd2 Bi2 Se4 I2",
"formula_reduced": "CdBiSe2I",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2145214116666668,
"spacegroup": 12
},
{
"id": "jvasp-35534",
"created_at": "2022-09-04T14:37:41.406236Z",
"updated_at": "2022-09-04T14:37:41.406264Z",
"structure_string": "Pr2 Re2 Si2 C1\n1.0\n-0.000000 -4.097474 -0.000000\n4.445370 -2.048737 -3.467032\n4.438077 -2.048737 3.776313\nPr Re Si C\n2 2 2 1\ndirect\n0.428633 0.838607 0.304128 Pr\n0.571367 0.161394 0.695872 Pr\n0.797230 0.317782 0.087757 Re\n0.202770 0.682219 0.912243 Re\n0.847457 0.601693 0.703394 Si\n0.152544 0.398307 0.296606 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Pr",
"Re",
"Si",
"C"
],
"chemical_system": "C-Pr-Re-Si",
"density": 9.099370039852378,
"density_atomic": 0.053097725613782606,
"volume": 131.83238865852675,
"volume_molar": 11.341617160409653,
"formula_full": "Pr2 Re2 Si2 C1",
"formula_reduced": "Pr2Re2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.740078985714287,
"spacegroup": 12
}
]
}