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{
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"results": [
{
"id": "jvasp-9583",
"created_at": "2022-09-04T14:38:09.750196Z",
"updated_at": "2022-09-04T14:38:09.750232Z",
"structure_string": "Ge4 N4 O2\n1.0\n5.172956 -0.000000 -0.000000\n-0.000000 4.933950 -2.481815\n0.000000 0.009194 5.522969\nGe N O\n4 4 2\ndirect\n0.382905 0.982248 0.330549 Ge\n0.882905 0.017751 0.669450 Ge\n0.882905 0.669450 0.017751 Ge\n0.382905 0.330549 0.982248 Ge\n0.233747 0.665787 0.074864 N\n0.733747 0.334212 0.925134 N\n0.733747 0.925135 0.334212 N\n0.233747 0.074864 0.665787 N\n0.294696 0.251678 0.251678 O\n0.794696 0.748321 0.748321 O\n",
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"formula_full": "Ge4 N4 O2",
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{
"id": "jvasp-18214",
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"updated_at": "2022-09-04T14:38:09.715752Z",
"structure_string": "Ba1 Mn2 Ge2\n1.0\n3.823258 0.000000 -1.442411\n-0.544182 3.784331 -1.442411\n0.453074 0.522885 6.989091\nBa Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250001 0.500000 Mn\n0.647633 0.647633 0.295266 Ge\n0.352367 0.352368 0.704735 Ge\n",
"nsites": 5,
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"Mn",
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},
{
"id": "jvasp-30438",
"created_at": "2022-09-04T14:38:05.288454Z",
"updated_at": "2022-09-04T14:38:05.288479Z",
"structure_string": "Sb4 S4 O2\n1.0\n4.080254 0.003675 -0.006750\n-2.050369 10.529085 -0.031492\n-2.029458 -1.717796 5.240102\nSb S O\n4 4 2\ndirect\n0.333452 0.634138 0.030849 Sb\n0.671928 0.366081 0.975952 Sb\n0.268718 0.881874 0.654052 Sb\n0.736667 0.118343 0.352748 Sb\n0.072361 0.913934 0.228952 S\n0.933021 0.086284 0.777851 S\n0.607881 0.699604 0.514395 S\n0.397501 0.300615 0.492405 S\n0.817280 0.570506 0.062189 O\n0.188098 0.429710 0.944613 O\n",
"nsites": 10,
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"elements": [
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"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 4.78200650797505,
"density_atomic": 0.04448937077623774,
"volume": 224.77279011869302,
"volume_molar": 13.536133811127065,
"formula_full": "Sb4 S4 O2",
"formula_reduced": "Sb2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.86647714,
"spacegroup": 12
},
{
"id": "jvasp-13219",
"created_at": "2022-09-04T14:38:05.712972Z",
"updated_at": "2022-09-04T14:38:05.712998Z",
"structure_string": "V2 H4 O4\n1.0\n0.000000 4.752529 -0.002219\n3.261389 0.000000 0.000000\n0.000000 -0.002518 -5.324679\nV H O\n2 4 4\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.020615 0.500000 0.335045 H\n0.979385 0.500000 0.664955 H\n0.479377 0.000000 0.835040 H\n0.520623 0.000000 0.164960 H\n0.152228 0.500000 0.767084 O\n0.347775 0.000000 0.267083 O\n0.652225 0.000000 0.732917 O\n0.847772 0.500000 0.232916 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"H",
"O"
],
"chemical_system": "H-O-V",
"density": 3.418638384875563,
"density_atomic": 0.12116553244492809,
"volume": 82.531721672128,
"volume_molar": 4.9701764507469735,
"formula_full": "V2 H4 O4",
"formula_reduced": "V(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.80155624,
"spacegroup": 58
},
{
"id": "jvasp-18170",
"created_at": "2022-09-04T14:38:10.202606Z",
"updated_at": "2022-09-04T14:38:10.202629Z",
"structure_string": "Dy1 Ge2 Pd2\n1.0\n3.979941 -0.000000 -1.548189\n-0.602242 3.934112 -1.548189\n0.006200 0.007222 5.905665\nDy Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.619590 0.619590 0.239180 Ge\n0.380410 0.380409 0.760820 Ge\n0.750000 0.250000 0.500000 Pd\n0.250000 0.749999 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"Ge",
"Pd"
],
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"density": 9.34028218805792,
"density_atomic": 0.05402068120130216,
"volume": 92.55714457520531,
"volume_molar": 11.147843059511137,
"formula_full": "Dy1 Ge2 Pd2",
"formula_reduced": "Dy(GePd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1986199599999998,
"spacegroup": 139
},
{
"id": "jvasp-12325",
"created_at": "2022-09-04T14:38:09.623813Z",
"updated_at": "2022-09-04T14:38:09.623830Z",
"structure_string": "Nd4 Sc2 Si4\n1.0\n7.392136 -0.000000 -0.000000\n0.000000 7.392136 0.000000\n-0.000000 0.000000 4.424529\nNd Sc Si\n4 2 4\ndirect\n0.177869 0.677869 0.500000 Nd\n0.322131 0.177869 0.500000 Nd\n0.677869 0.822132 0.500000 Nd\n0.822132 0.322131 0.500000 Nd\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.118851 0.381149 0.000000 Si\n0.381149 0.881150 0.000000 Si\n0.618851 0.118851 0.000000 Si\n0.881150 0.618851 0.000000 Si\n",
"nsites": 10,
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"elements": [
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"Sc",
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],
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"density": 5.35184173780096,
"density_atomic": 0.041361193037399116,
"volume": 241.77252312228813,
"volume_molar": 14.55988166142774,
"formula_full": "Nd4 Sc2 Si4",
"formula_reduced": "Nd2ScSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.44533709,
"spacegroup": 127
},
{
"id": "jvasp-12860",
"created_at": "2022-09-04T14:38:10.282820Z",
"updated_at": "2022-09-04T14:38:10.282829Z",
"structure_string": "Tl1 Cu2 Te2\n1.0\n3.881011 -0.000000 -1.051985\n-0.285151 3.870522 -1.051985\n0.155032 0.166874 8.256909\nTl Cu Te\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.749999 0.249999 0.500000 Cu\n0.250000 0.749999 0.500000 Cu\n0.638975 0.638975 0.277951 Te\n0.361024 0.361024 0.722050 Te\n",
"nsites": 5,
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"elements": [
"Tl",
"Cu",
"Te"
],
"chemical_system": "Cu-Te-Tl",
"density": 7.769084290398247,
"density_atomic": 0.039874287522630815,
"volume": 125.39409004266795,
"volume_molar": 15.102817214181217,
"formula_full": "Tl1 Cu2 Te2",
"formula_reduced": "Tl(CuTe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0608910991666667,
"spacegroup": 139
},
{
"id": "jvasp-43067",
"created_at": "2022-09-04T14:38:07.043400Z",
"updated_at": "2022-09-04T14:38:07.043423Z",
"structure_string": "Li2 V1 O2\n1.0\n1.588762 -2.751816 -0.000000\n1.588762 2.751816 0.000000\n-0.000000 -0.000000 5.071702\nLi V O\n2 1 2\ndirect\n0.666667 0.333332 0.365353 Li\n0.333332 0.666667 0.634647 Li\n0.000000 0.000000 0.000000 V\n0.666667 0.333332 0.761174 O\n0.333332 0.666667 0.238826 O\n",
"nsites": 5,
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"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.625455125263823,
"density_atomic": 0.11274779204246953,
"volume": 44.34676643704574,
"volume_molar": 5.341249394694662,
"formula_full": "Li2 V1 O2",
"formula_reduced": "Li2VO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.87271024,
"spacegroup": 164
},
{
"id": "jvasp-56717",
"created_at": "2022-09-04T14:38:09.559700Z",
"updated_at": "2022-09-04T14:38:09.559740Z",
"structure_string": "Yb1 Si2 Os2\n1.0\n3.925555 -0.000000 -1.544485\n-0.607669 3.878237 -1.544485\n-0.047429 -0.055439 5.640405\nYb Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.369884 0.369884 0.739770 Si\n0.630117 0.630117 0.260233 Si\n0.750001 0.250000 0.500001 Os\n0.250000 0.750000 0.500001 Os\n",
"nsites": 5,
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"elements": [
"Yb",
"Si",
"Os"
],
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"density": 11.882620790858498,
"density_atomic": 0.05868641859706431,
"volume": 85.19858801283397,
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"formula_full": "Yb1 Si2 Os2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5884535800000004,
"spacegroup": 139
},
{
"id": "jvasp-8206",
"created_at": "2022-09-04T14:38:10.284725Z",
"updated_at": "2022-09-04T14:38:10.284755Z",
"structure_string": "Mg1 Al2 C2\n1.0\n1.694735 -2.935367 0.000000\n1.694735 2.935367 -0.000000\n-0.000000 -0.000000 5.816266\nMg Al C\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333331 0.666666 0.349319 Al\n0.666666 0.333331 0.650682 Al\n0.666666 0.333331 0.269821 C\n0.333331 0.666666 0.730179 C\n",
"nsites": 5,
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],
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"density": 2.9352263285107982,
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"volume": 57.867998574020376,
"volume_molar": 6.969784658244599,
"formula_full": "Mg1 Al2 C2",
"formula_reduced": "Mg(AlC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.0666609300000003,
"spacegroup": 164
},
{
"id": "jvasp-52096",
"created_at": "2022-09-04T14:38:09.466026Z",
"updated_at": "2022-09-04T14:38:09.466055Z",
"structure_string": "Dy4 Co2 Si4\n1.0\n4.030274 0.000000 0.953502\n1.966478 5.207321 0.682420\n0.004840 -0.031743 8.973903\nDy Co Si\n4 2 4\ndirect\n0.186262 0.732914 0.894562 Dy\n0.813737 0.267087 0.105437 Dy\n0.998814 0.330647 0.671722 Dy\n0.001185 0.669353 0.328277 Dy\n0.726765 0.924150 0.622320 Co\n0.273234 0.075850 0.377680 Co\n0.493856 0.138895 0.873391 Si\n0.506143 0.861105 0.126610 Si\n0.346775 0.739388 0.567060 Si\n0.653224 0.260612 0.432940 Si\n",
"nsites": 10,
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],
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"density": 7.760606318644237,
"density_atomic": 0.05309590794740299,
"volume": 188.3384310878729,
"volume_molar": 11.342005425287306,
"formula_full": "Dy4 Co2 Si4",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 2.48504422,
"spacegroup": 12
},
{
"id": "jvasp-35264",
"created_at": "2022-09-04T14:38:05.084123Z",
"updated_at": "2022-09-04T14:38:05.084136Z",
"structure_string": "Na8 Zn4 Se8\n1.0\n0.000000 7.172996 0.014435\n7.373204 0.000000 0.000000\n0.000000 -0.483773 -9.114575\nNa Zn Se\n8 4 8\ndirect\n0.539996 0.684064 0.676740 Na\n0.960005 0.184065 0.323261 Na\n0.460005 0.315935 0.323261 Na\n0.039996 0.815935 0.676740 Na\n0.512210 0.765013 0.058480 Na\n0.987792 0.265013 0.941522 Na\n0.487792 0.234986 0.941521 Na\n0.012209 0.734986 0.058480 Na\n0.342341 0.906792 0.371674 Zn\n0.157660 0.406793 0.628327 Zn\n0.657660 0.093207 0.628327 Zn\n0.842341 0.593207 0.371674 Zn\n0.299886 0.101732 0.599235 Se\n0.200114 0.601731 0.400766 Se\n0.700115 0.898268 0.400766 Se\n0.799887 0.398268 0.599235 Se\n0.244544 0.046500 0.140631 Se\n0.255457 0.546499 0.859370 Se\n0.755458 0.953500 0.859370 Se\n0.744544 0.453500 0.140631 Se\n",
"nsites": 20,
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],
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"spacegroup": 14
}
]
}