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_molar&page=1546",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1544",
"results": [
{
"id": "jvasp-92036",
"created_at": "2022-09-04T14:35:44.527971Z",
"updated_at": "2022-09-04T14:35:44.527989Z",
"structure_string": "Si4 Rh4\n1.0\n-0.000000 -3.169106 0.000000\n-5.592698 0.000000 0.000000\n0.000000 0.000000 -6.388513\nSi Rh\n4 4\ndirect\n0.750001 0.313946 0.059561 Si\n0.750001 0.813946 0.440439 Si\n0.250000 0.686054 0.940439 Si\n0.250000 0.186054 0.559561 Si\n0.750001 0.497450 0.703171 Rh\n0.750001 0.997450 0.796828 Rh\n0.250000 0.502550 0.296829 Rh\n0.250000 0.002550 0.203171 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 7.6840932987471255,
"density_atomic": 0.07065323796905049,
"volume": 113.22906394614758,
"volume_molar": 8.523517015084272,
"formula_full": "Si4 Rh4",
"formula_reduced": "SiRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.6463908000000005,
"spacegroup": 62
},
{
"id": "jvasp-41506",
"created_at": "2022-09-04T14:37:50.802158Z",
"updated_at": "2022-09-04T14:37:50.802177Z",
"structure_string": "Zn3 Ir1\n1.0\n-1.864384 1.864384 4.071942\n1.864384 -1.864384 4.071942\n1.864384 1.864384 -4.071942\nZn Ir\n3 1\ndirect\n0.749998 0.250000 0.499998 Zn\n0.250000 0.749998 0.499998 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Ir"
],
"chemical_system": "Ir-Zn",
"density": 11.393186484582012,
"density_atomic": 0.07065252416182827,
"volume": 56.61510395351306,
"volume_molar": 8.523603128752205,
"formula_full": "Zn3 Ir1",
"formula_reduced": "Zn3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-19848",
"created_at": "2022-09-04T14:36:42.390260Z",
"updated_at": "2022-09-04T14:36:42.390271Z",
"structure_string": "Si4 Rh4\n1.0\n3.169788 -0.000000 0.000000\n0.000000 5.592412 0.000000\n0.000000 0.000000 6.387681\nSi Rh\n4 4\ndirect\n0.250000 0.686042 0.059606 Si\n0.750000 0.313957 0.940394 Si\n0.250000 0.186042 0.440394 Si\n0.750000 0.813957 0.559606 Si\n0.250000 0.502561 0.703169 Rh\n0.750000 0.497438 0.296831 Rh\n0.250000 0.002561 0.796831 Rh\n0.750000 0.997438 0.203169 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 7.68383359732391,
"density_atomic": 0.07065085008205564,
"volume": 113.23289090943142,
"volume_molar": 8.523805096479006,
"formula_full": "Si4 Rh4",
"formula_reduced": "SiRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.6463708,
"spacegroup": 62
},
{
"id": "jvasp-27139",
"created_at": "2022-09-04T14:38:32.430312Z",
"updated_at": "2022-09-04T14:38:32.430343Z",
"structure_string": "Mg2 V2 O6\n1.0\n4.681248 0.000000 -2.418952\n0.000000 5.254612 0.000000\n0.006138 0.000000 5.751022\nMg V O\n2 2 6\ndirect\n0.575317 0.012821 0.150634 Mg\n0.424683 0.512821 0.849366 Mg\n0.929266 0.012802 0.858529 V\n0.070735 0.512801 0.141471 V\n0.237692 0.262812 -0.000017 O\n0.762309 0.762811 0.000018 O\n0.762291 0.262812 -0.000017 O\n0.237709 0.762811 0.000017 O\n0.765587 0.012756 0.531172 O\n0.234414 0.512756 0.468829 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 2.8917488060264924,
"density_atomic": 0.07065017140076432,
"volume": 141.5424733122702,
"volume_molar": 8.523886978050347,
"formula_full": "Mg2 V2 O6",
"formula_reduced": "MgVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7412007500000002,
"spacegroup": 63
},
{
"id": "jvasp-114385",
"created_at": "2022-09-04T14:38:40.527191Z",
"updated_at": "2022-09-04T14:38:40.527222Z",
"structure_string": "Zn2 S1 O2\n1.0\n3.299972 0.000000 0.000000\n-1.649986 2.857859 0.000000\n0.000000 0.000000 7.504476\nZn S O\n2 1 2\ndirect\n0.666667 0.333334 0.331366 Zn\n0.333334 0.666667 0.668634 Zn\n0.000000 0.000000 0.000000 S\n0.333334 0.666667 0.353792 O\n0.666667 0.333334 0.646208 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"S",
"O"
],
"chemical_system": "O-S-Zn",
"density": 4.572449881147467,
"density_atomic": 0.07064778961357895,
"volume": 70.77362260515746,
"volume_molar": 8.524174348467524,
"formula_full": "Zn2 S1 O2",
"formula_reduced": "Zn2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6056035599999996,
"spacegroup": 164
},
{
"id": "jvasp-89933",
"created_at": "2022-09-04T14:35:43.325050Z",
"updated_at": "2022-09-04T14:35:43.325062Z",
"structure_string": "Ti3 Cr3 As3\n1.0\n0.000000 0.000000 -3.350276\n-3.313108 -5.738472 0.000000\n-3.313130 5.738485 0.000000\nTi Cr As\n3 3 3\ndirect\n0.500001 0.596616 0.000000 Ti\n0.500001 0.403351 0.403355 Ti\n0.500001 -0.000004 0.596645 Ti\n0.000000 0.256838 0.000000 Cr\n0.000000 0.743138 0.743145 Cr\n0.000000 0.999994 0.256856 Cr\n0.000000 0.333327 0.666673 As\n0.000000 0.666655 0.333328 As\n0.500001 -0.000017 -0.000000 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"As"
],
"chemical_system": "As-Cr-Ti",
"density": 6.834856326394166,
"density_atomic": 0.0706477172535348,
"volume": 127.39265116948548,
"volume_molar": 8.524183079246889,
"formula_full": "Ti3 Cr3 As3",
"formula_reduced": "TiCrAs",
"formula_anonymous": "ABC",
"energy_above_hull": 3.051222494444444,
"spacegroup": 189
},
{
"id": "jvasp-57441",
"created_at": "2022-09-04T14:37:32.191618Z",
"updated_at": "2022-09-04T14:37:32.191651Z",
"structure_string": "Cu4 Te4 O12\n1.0\n0.000000 5.070152 0.106352\n9.368047 0.000000 0.000000\n0.000000 -4.590609 -6.056574\nCu Te O\n4 4 12\ndirect\n0.617420 0.487172 0.356091 Cu\n0.617420 0.012828 0.856090 Cu\n0.382579 0.512828 0.643909 Cu\n0.382579 0.987173 0.143910 Cu\n0.852969 0.792559 0.593076 Te\n0.147030 0.207442 0.406924 Te\n0.147030 0.292558 0.906923 Te\n0.852970 0.707442 0.093076 Te\n0.675321 0.606406 0.590251 O\n0.324678 0.106405 0.909749 O\n0.587536 0.135023 0.642063 O\n0.587536 0.364977 0.142064 O\n0.846881 0.848984 0.846435 O\n0.324679 0.393595 0.409749 O\n0.675321 0.893595 0.090251 O\n0.846881 0.651017 0.346435 O\n0.412463 0.635023 0.857936 O\n0.412463 0.864977 0.357936 O\n0.153119 0.151017 0.153565 O\n0.153118 0.348983 0.653565 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-O-Te",
"density": 5.610895365751518,
"density_atomic": 0.07064691866636175,
"volume": 283.0979804576094,
"volume_molar": 8.524279435937267,
"formula_full": "Cu4 Te4 O12",
"formula_reduced": "CuTeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.460451743333333,
"spacegroup": 14
},
{
"id": "jvasp-62158",
"created_at": "2022-09-04T14:36:03.162478Z",
"updated_at": "2022-09-04T14:36:03.162491Z",
"structure_string": "Ti3 Cr3 As3\n1.0\n3.313225 -5.738674 0.000000\n3.313225 5.738674 -0.000000\n0.000000 0.000000 3.350105\nTi Cr As\n3 3 3\ndirect\n0.596700 0.000001 0.500001 Ti\n0.000001 0.596700 0.500001 Ti\n0.403301 0.403301 0.500001 Ti\n0.256850 0.000000 0.000000 Cr\n0.000000 0.256850 0.000000 Cr\n0.743151 0.743151 0.000000 Cr\n0.333334 0.666668 0.000000 As\n0.666668 0.333334 0.000000 As\n0.000000 0.000000 0.500001 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"As"
],
"chemical_system": "As-Cr-Ti",
"density": 6.834753672248126,
"density_atomic": 0.07064665618059661,
"volume": 127.39456453526935,
"volume_molar": 8.524311107669956,
"formula_full": "Ti3 Cr3 As3",
"formula_reduced": "TiCrAs",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0509391611111107,
"spacegroup": 189
},
{
"id": "jvasp-16910",
"created_at": "2022-09-04T14:36:50.581140Z",
"updated_at": "2022-09-04T14:36:50.581152Z",
"structure_string": "Mo2 O4\n1.0\n1.501213 -2.600177 0.000000\n1.501213 2.600177 0.000000\n0.000000 0.000000 10.879427\nMo O\n2 4\ndirect\n0.666666 0.333332 0.250000 Mo\n0.333332 0.666666 0.750000 Mo\n0.333332 0.666666 0.587997 O\n0.666666 0.333332 0.087997 O\n0.333332 0.666666 0.912003 O\n0.666666 0.333332 0.412003 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 5.002649994508645,
"density_atomic": 0.07064314136998805,
"volume": 84.9339353211299,
"volume_molar": 8.524735230076333,
"formula_full": "Mo2 O4",
"formula_reduced": "MoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0821409666666666,
"spacegroup": 194
},
{
"id": "jvasp-66759",
"created_at": "2022-09-04T14:36:12.099005Z",
"updated_at": "2022-09-04T14:36:12.099016Z",
"structure_string": "Li1 Be1 Cd1\n1.0\n-1.565096 1.565096 4.334233\n1.565096 -1.565096 4.334233\n1.565096 1.565096 -4.334233\nLi Be Cd\n1 1 1\ndirect\n0.653938 0.653938 0.000000 Li\n0.008168 0.008168 0.000000 Be\n0.337893 0.337893 0.000000 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Be",
"Cd"
],
"chemical_system": "Be-Cd-Li",
"density": 5.019249059863525,
"density_atomic": 0.07064266032975186,
"volume": 42.46725683880453,
"volume_molar": 8.524793279145118,
"formula_full": "Li1 Be1 Cd1",
"formula_reduced": "LiBeCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2286652833333331,
"spacegroup": 107
},
{
"id": "jvasp-21528",
"created_at": "2022-09-04T14:36:04.061798Z",
"updated_at": "2022-09-04T14:36:04.061834Z",
"structure_string": "Sr8 Ir4 O16\n1.0\n5.385686 0.000000 -1.122470\n-0.233942 5.380603 -1.122470\n0.037553 0.039221 13.661854\nSr Ir O\n8 4 16\ndirect\n0.199996 0.949996 0.899993 Sr\n0.449997 0.699996 0.399993 Sr\n0.300004 0.550003 0.100007 Sr\n0.050004 0.800003 0.600007 Sr\n0.949997 0.199996 0.399993 Sr\n0.699997 0.449996 0.899993 Sr\n0.550004 0.300003 0.600007 Sr\n0.800004 0.050004 0.100007 Sr\n0.625000 0.874999 0.750000 Ir\n0.875001 0.625000 0.250000 Ir\n0.125000 0.375000 0.750000 Ir\n0.375000 0.125000 0.250000 Ir\n0.064747 0.935253 0.250000 O\n0.814747 0.564747 0.750000 O\n0.954953 0.704952 0.409904 O\n0.314747 0.685253 0.750000 O\n0.564748 0.814747 0.250000 O\n0.185253 0.435253 0.250000 O\n0.935253 0.064747 0.750000 O\n0.704953 0.954952 0.909903 O\n0.454952 0.204952 0.409904 O\n0.795048 0.545047 0.090096 O\n0.045048 0.295047 0.590096 O\n0.295048 0.045048 0.090096 O\n0.545048 0.795047 0.590096 O\n0.204952 0.454952 0.909903 O\n0.685253 0.314747 0.250000 O\n0.435253 0.185253 0.750000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Ir",
"O"
],
"chemical_system": "Ir-O-Sr",
"density": 7.23007308706749,
"density_atomic": 0.07064094923386699,
"volume": 396.3706646594171,
"volume_molar": 8.524999770406312,
"formula_full": "Sr8 Ir4 O16",
"formula_reduced": "Sr2IrO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.825702531428571,
"spacegroup": 142
},
{
"id": "jvasp-95639",
"created_at": "2022-09-04T14:36:34.344531Z",
"updated_at": "2022-09-04T14:36:34.344548Z",
"structure_string": "Na10 Ta2 O10\n1.0\n5.941800 0.015872 -0.910814\n-2.878559 5.197994 -0.910814\n0.001076 0.001830 10.067998\nNa Ta O\n10 2 10\ndirect\n0.990923 0.675645 0.920962 Na\n0.009077 0.324354 0.079039 Na\n0.675645 0.990922 0.420962 Na\n0.331035 0.668964 0.750000 Na\n0.668965 0.331034 0.250000 Na\n0.554703 0.785361 0.048936 Na\n0.214639 0.445297 0.451065 Na\n0.445297 0.214638 0.951065 Na\n0.785361 0.554702 0.548936 Na\n0.324355 0.009077 0.579039 Na\n0.908249 0.091751 0.750001 Ta\n0.091751 0.908248 0.250000 Ta\n0.697648 0.037868 0.882598 O\n0.962132 0.302352 0.617403 O\n0.596014 0.809935 0.604645 O\n0.190064 0.403985 0.895356 O\n0.403986 0.190064 0.395356 O\n0.809936 0.596013 0.104645 O\n0.302352 0.962131 0.117403 O\n0.037868 0.697647 0.382598 O\n0.094824 0.905176 0.750000 O\n0.905176 0.094823 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Ta",
"O"
],
"chemical_system": "Na-O-Ta",
"density": 4.008461252719012,
"density_atomic": 0.07064089615927177,
"volume": 311.434327650619,
"volume_molar": 8.525006175490853,
"formula_full": "Na10 Ta2 O10",
"formula_reduced": "Na5TaO5",
"formula_anonymous": "AB5C5",
"energy_above_hull": 1.4753801545454548,
"spacegroup": 15
}
]
}