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=energy_above_hull&page=69",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=67",
"results": [
{
"id": "jvasp-91865",
"created_at": "2022-09-04T14:35:41.769387Z",
"updated_at": "2022-09-04T14:35:41.769416Z",
"structure_string": "Mg7 Ga1\n1.0\n6.271087 0.000000 0.000000\n-3.135543 5.430920 0.000000\n-0.000000 0.000000 5.116690\nMg Ga\n7 1\ndirect\n0.165604 0.832801 0.250000 Mg\n0.667199 0.334397 0.250000 Mg\n0.667199 0.832801 0.250000 Mg\n0.331428 0.168572 0.750000 Mg\n0.331428 0.662857 0.750000 Mg\n0.837143 0.168572 0.750000 Mg\n0.833334 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 2.2855881127341724,
"density_atomic": 0.04590760646390623,
"volume": 174.2630604427136,
"volume_molar": 13.117958490680113,
"formula_full": "Mg7 Ga1",
"formula_reduced": "Mg7Ga",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-64862",
"created_at": "2022-09-04T14:35:44.503988Z",
"updated_at": "2022-09-04T14:35:44.504018Z",
"structure_string": "Ba4 Tl1 Zn1\n1.0\n0.000000 5.073173 5.073173\n5.073173 -0.000000 5.073173\n5.073173 5.073173 0.000000\nBa Tl Zn\n4 1 1\ndirect\n0.126026 0.624658 0.624658 Ba\n0.624658 0.624658 0.624658 Ba\n0.624658 0.126026 0.624658 Ba\n0.624658 0.624658 0.126026 Ba\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Zn"
],
"chemical_system": "Ba-Tl-Zn",
"density": 5.20855398120386,
"density_atomic": 0.022976413444146717,
"volume": 261.1373622164912,
"volume_molar": 26.210099216046935,
"formula_full": "Ba4 Tl1 Zn1",
"formula_reduced": "Ba4TlZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-106012",
"created_at": "2022-09-04T14:36:02.733434Z",
"updated_at": "2022-09-04T14:36:02.733454Z",
"structure_string": "Pr2 Ga5 Cu3\n1.0\n4.255500 0.000000 0.000000\n0.000000 4.255500 0.000000\n0.000000 0.000000 10.255638\nPr Ga Cu\n2 5 3\ndirect\n0.500000 0.000000 0.743939 Pr\n0.000000 0.500000 0.256061 Pr\n0.000000 0.500000 0.863594 Ga\n0.500000 0.000000 0.381026 Ga\n0.500000 0.000000 0.136406 Ga\n0.000000 0.500000 0.618975 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Pr",
"density": 7.341156964358652,
"density_atomic": 0.05384385269276619,
"volume": 185.72222268454945,
"volume_molar": 11.184453672664219,
"formula_full": "Pr2 Ga5 Cu3",
"formula_reduced": "Pr2Ga5Cu3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.0,
"spacegroup": 115
},
{
"id": "jvasp-88650",
"created_at": "2022-09-04T14:35:47.240450Z",
"updated_at": "2022-09-04T14:35:47.240481Z",
"structure_string": "Hg12 Cl16 O4\n1.0\n9.316908 -0.000000 -0.000000\n0.000000 9.316908 -0.000000\n0.000000 -0.000000 9.316908\nHg Cl O\n12 16 4\ndirect\n0.229864 0.176338 0.515717 Hg\n0.176338 0.515717 0.229864 Hg\n0.323662 0.484283 0.729864 Hg\n0.015717 0.270136 0.823662 Hg\n0.823662 0.015717 0.270136 Hg\n0.984283 0.770136 0.676338 Hg\n0.484283 0.729864 0.323662 Hg\n0.676338 0.984283 0.770136 Hg\n0.729864 0.323662 0.484283 Hg\n0.770136 0.676338 0.984283 Hg\n0.270136 0.823662 0.015717 Hg\n0.515717 0.229864 0.176338 Hg\n0.479028 0.666968 0.804032 Cl\n0.020972 0.333032 0.304032 Cl\n0.333032 0.304032 0.020972 Cl\n0.304032 0.020972 0.333032 Cl\n0.927755 0.072245 0.572245 Cl\n0.427755 0.427755 0.427755 Cl\n0.572245 0.927755 0.072245 Cl\n0.833032 0.195968 0.979029 Cl\n0.979029 0.833032 0.195968 Cl\n0.166968 0.695969 0.520972 Cl\n0.666968 0.804032 0.479028 Cl\n0.520972 0.166968 0.695969 Cl\n0.804032 0.479028 0.666968 Cl\n0.695969 0.520972 0.166968 Cl\n0.195968 0.979029 0.833032 Cl\n0.072245 0.572245 0.927755 Cl\n0.674257 0.174257 0.325743 O\n0.325743 0.674257 0.174257 O\n0.174257 0.325743 0.674257 O\n0.825744 0.825744 0.825744 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Hg",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-O",
"density": 6.238324893351833,
"density_atomic": 0.039567130661555906,
"volume": 808.7520996586125,
"volume_molar": 15.220059325280351,
"formula_full": "Hg12 Cl16 O4",
"formula_reduced": "Hg3Cl4O",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 198
},
{
"id": "jvasp-61470",
"created_at": "2022-09-04T14:35:41.776343Z",
"updated_at": "2022-09-04T14:35:41.776374Z",
"structure_string": "Al2 F6\n1.0\n4.437723 -2.433986 0.035187\n4.437733 2.434001 0.035208\n3.071131 0.000023 4.023355\nAl F\n2 6\ndirect\n0.999947 0.000010 0.000043 Al\n0.499946 0.500012 0.500041 Al\n0.848968 0.250028 0.651019 F\n0.249964 0.650993 0.849061 F\n0.650923 0.849031 0.250057 F\n0.150923 0.749994 0.349066 F\n0.749931 0.349029 0.151023 F\n0.348969 0.150993 0.750026 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 3.2283233462731338,
"density_atomic": 0.09260381252423666,
"volume": 86.38953172588015,
"volume_molar": 6.5031240030467,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-93185",
"created_at": "2022-09-04T14:36:05.714844Z",
"updated_at": "2022-09-04T14:36:05.714869Z",
"structure_string": "K1 Sr1 Mg6\n1.0\n7.179241 0.231739 0.000000\n-3.388928 6.333274 0.000000\n0.000000 0.000000 5.347026\nK Sr Mg\n1 1 6\ndirect\n0.099959 0.400041 0.250000 K\n0.402042 0.097958 0.750001 Sr\n0.042535 0.877463 0.250000 Mg\n0.622537 0.457464 0.250000 Mg\n0.589261 0.910738 0.250000 Mg\n0.465170 0.625800 0.750001 Mg\n0.874200 0.034830 0.750001 Mg\n0.904296 0.595703 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Sr",
"Mg"
],
"chemical_system": "K-Mg-Sr",
"density": 1.829937150006322,
"density_atomic": 0.03234696852807265,
"volume": 247.31838450509255,
"volume_molar": 18.61732655031838,
"formula_full": "K1 Sr1 Mg6",
"formula_reduced": "KSrMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-5485",
"created_at": "2022-09-04T14:35:49.231542Z",
"updated_at": "2022-09-04T14:35:49.231570Z",
"structure_string": "Cd2 I4\n1.0\n2.142630 -3.711143 0.000000\n2.142630 3.711143 0.000000\n0.000000 0.000000 13.750837\nCd I\n2 4\ndirect\n0.666667 0.333333 0.500062 Cd\n0.333333 0.666667 0.000062 Cd\n0.000000 0.000000 0.373856 I\n0.000000 0.000000 0.873857 I\n0.333333 0.666667 0.626082 I\n0.666667 0.333333 0.126081 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.56169386367612,
"density_atomic": 0.027437039601934627,
"volume": 218.68248495646486,
"volume_molar": 21.94894510257356,
"formula_full": "Cd2 I4",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-92211",
"created_at": "2022-09-04T14:35:43.757335Z",
"updated_at": "2022-09-04T14:35:43.757357Z",
"structure_string": "Sr2 Cu2 Sn4\n1.0\n4.589911 -0.000000 0.000000\n0.000000 4.513996 -1.055190\n-0.000000 -0.034090 10.036970\nSr Cu Sn\n2 2 4\ndirect\n0.750000 0.392211 0.784422 Sr\n0.250000 0.607790 0.215578 Sr\n0.750000 0.175428 0.350854 Cu\n0.250000 0.824573 0.649146 Cu\n0.250000 0.249607 0.499214 Sn\n0.250000 0.956659 0.913317 Sn\n0.750000 0.750394 0.500786 Sn\n0.750000 0.043341 0.086683 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Sr",
"density": 6.210736843563874,
"density_atomic": 0.038500544546828816,
"volume": 207.78926880552234,
"volume_molar": 15.641702814554158,
"formula_full": "Sr2 Cu2 Sn4",
"formula_reduced": "SrCuSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-90854",
"created_at": "2022-09-04T14:35:43.386296Z",
"updated_at": "2022-09-04T14:35:43.386320Z",
"structure_string": "K1 Cd4 As3\n1.0\n-2.266297 -3.925342 0.000000\n2.266297 -3.925342 0.000000\n-0.000000 -2.616894 12.031292\nK Cd As\n1 4 3\ndirect\n0.500000 0.500000 0.500000 K\n0.089762 0.089762 0.730713 Cd\n0.910237 0.910237 0.269287 Cd\n0.301042 0.301042 0.096873 Cd\n0.698957 0.698957 0.903127 Cd\n0.226460 0.226460 0.320621 As\n0.773540 0.773540 0.679379 As\n0.000000 0.000000 0.000000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cd",
"As"
],
"chemical_system": "As-Cd-K",
"density": 5.534913123847254,
"density_atomic": 0.03737260743468236,
"volume": 214.06052585391396,
"volume_molar": 16.113782723148613,
"formula_full": "K1 Cd4 As3",
"formula_reduced": "KCd4As3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-3492",
"created_at": "2022-09-04T14:35:42.829074Z",
"updated_at": "2022-09-04T14:35:42.829097Z",
"structure_string": "Rb2 In2 Te4\n1.0\n7.038350 0.024812 -1.902169\n-4.120449 5.706216 -1.902169\n-0.012633 -0.024812 7.290848\nRb In Te\n2 2 4\ndirect\n0.750000 0.750000 -0.000000 Rb\n0.250000 0.250000 -0.000000 Rb\n0.750000 0.250000 0.500000 In\n0.250000 0.750001 0.500000 In\n0.326679 0.173322 0.500000 Te\n0.173322 0.673322 0.846644 Te\n0.826679 0.326679 0.153356 Te\n0.673322 0.826679 0.500000 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"In",
"Te"
],
"chemical_system": "In-Rb-Te",
"density": 5.164578853076978,
"density_atomic": 0.02731309808568965,
"volume": 292.8997646074979,
"volume_molar": 22.048545137965228,
"formula_full": "Rb2 In2 Te4",
"formula_reduced": "RbInTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-91546",
"created_at": "2022-09-04T14:35:55.195662Z",
"updated_at": "2022-09-04T14:35:55.195678Z",
"structure_string": "Ba2 Cd2 P2 F2\n1.0\n4.372231 0.000000 -0.000000\n0.000000 4.372231 0.000000\n0.000000 -0.000000 9.507901\nBa Cd P F\n2 2 2 2\ndirect\n0.750000 0.750000 0.839971 Ba\n0.250000 0.250000 0.160029 Ba\n0.250000 0.750000 0.500000 Cd\n0.750000 0.250000 0.500000 Cd\n0.750000 0.750000 0.327249 P\n0.250000 0.250000 0.672751 P\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cd",
"P",
"F"
],
"chemical_system": "Ba-Cd-F-P",
"density": 5.4763313403840455,
"density_atomic": 0.044014841030942935,
"volume": 181.75687592228059,
"volume_molar": 13.682068636272858,
"formula_full": "Ba2 Cd2 P2 F2",
"formula_reduced": "BaCdPF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-107163",
"created_at": "2022-09-04T14:36:57.811521Z",
"updated_at": "2022-09-04T14:36:57.811550Z",
"structure_string": "Ca3 Ag1\n1.0\n4.976409 -0.000000 0.000000\n0.000000 4.976409 0.000000\n-0.000000 -0.000000 4.976409\nCa Ag\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca",
"density": 3.0734798549970628,
"density_atomic": 0.032457255241226064,
"volume": 123.2390098999912,
"volume_molar": 18.554066618519514,
"formula_full": "Ca3 Ag1",
"formula_reduced": "Ca3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
}
]
}