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=1582",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1580",
"results": [
{
"id": "jvasp-106602",
"created_at": "2022-09-04T14:36:47.407075Z",
"updated_at": "2022-09-04T14:36:47.407101Z",
"structure_string": "Sr2 Cu1 Pt1\n1.0\n4.522081 -0.000000 2.610825\n1.507360 4.263459 2.610825\n-0.000000 -0.000000 5.221650\nSr Cu Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.749999 Sr\n0.500000 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"Pt"
],
"chemical_system": "Cu-Pt-Sr",
"density": 7.1564976477862405,
"density_atomic": 0.03973304095555922,
"volume": 100.67188173374238,
"volume_molar": 15.156506059366738,
"formula_full": "Sr2 Cu1 Pt1",
"formula_reduced": "Sr2CuPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1264261174999999,
"spacegroup": 225
},
{
"id": "jvasp-12524",
"created_at": "2022-09-04T14:36:47.411378Z",
"updated_at": "2022-09-04T14:36:47.411394Z",
"structure_string": "In2 Sn4 I10\n1.0\n7.909456 0.000000 -3.960517\n-1.983157 7.656801 -3.960517\n-0.017959 -0.023204 9.842289\nIn Sn I\n2 4 10\ndirect\n0.250000 0.250000 0.500000 In\n0.750000 0.750000 0.500000 In\n0.168439 0.668439 -0.000000 Sn\n0.331561 0.168439 -0.000000 Sn\n0.668439 0.831561 -0.000001 Sn\n0.831561 0.331561 -0.000000 Sn\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 -0.000000 I\n0.515623 0.015623 0.716791 I\n0.701168 0.515623 0.716790 I\n0.015623 0.201168 0.716791 I\n0.298832 0.484378 0.283209 I\n0.984378 0.798832 0.283209 I\n0.798832 0.298832 0.283209 I\n0.484377 0.984377 0.283209 I\n0.201168 0.701168 0.716790 I\n",
"nsites": 16,
"nelements": 3,
"elements": [
"In",
"Sn",
"I"
],
"chemical_system": "I-In-Sn",
"density": 5.5113906210559795,
"density_atomic": 0.026908555954695837,
"volume": 594.606415406986,
"volume_molar": 22.380022064874392,
"formula_full": "In2 Sn4 I10",
"formula_reduced": "InSn2I5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-80008",
"created_at": "2022-09-04T14:36:47.415285Z",
"updated_at": "2022-09-04T14:36:47.415306Z",
"structure_string": "Ti1 Mn2 Ga1\n1.0\n0.000082 2.963609 2.963480\n2.963850 0.000101 2.963462\n2.963728 2.963467 0.000225\nTi Mn Ga\n1 2 1\ndirect\n0.749997 0.750001 0.750004 Ti\n0.500000 0.500015 0.499973 Mn\n0.000004 0.999982 0.000023 Mn\n0.249998 0.250002 0.250003 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn-Ti",
"density": 7.256165795130745,
"density_atomic": 0.07684248990480409,
"volume": 52.05453395582807,
"volume_molar": 7.836993266954907,
"formula_full": "Ti1 Mn2 Ga1",
"formula_reduced": "TiMn2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9001437852729888,
"spacegroup": 225
},
{
"id": "jvasp-49818",
"created_at": "2022-09-04T14:37:04.899983Z",
"updated_at": "2022-09-04T14:37:04.900001Z",
"structure_string": "U2 Si2 S2\n1.0\n3.773261 -0.000000 -0.000000\n0.000000 3.773261 0.000000\n-0.000000 0.000000 8.147326\nU Si S\n2 2 2\ndirect\n0.000000 0.500000 0.291965 U\n0.500000 0.000000 0.708036 U\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.639704 S\n0.500000 0.000000 0.360296 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Si",
"S"
],
"chemical_system": "S-Si-U",
"density": 8.537052584208446,
"density_atomic": 0.051725233833608775,
"volume": 115.99754230789895,
"volume_molar": 11.642558793203714,
"formula_full": "U2 Si2 S2",
"formula_reduced": "USiS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.9197548666666666,
"spacegroup": 129
},
{
"id": "jvasp-101574",
"created_at": "2022-09-04T14:36:47.434972Z",
"updated_at": "2022-09-04T14:36:47.434992Z",
"structure_string": "Li2 In1 Pb1\n1.0\n4.259237 0.000000 2.459072\n1.419746 4.015648 2.459072\n-0.000000 0.000000 4.918144\nLi In Pb\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Li\n0.750001 0.750000 0.749998 Li\n0.500001 0.500000 0.499999 In\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Pb"
],
"chemical_system": "In-Li-Pb",
"density": 6.6308685340024835,
"density_atomic": 0.04755227589951468,
"volume": 84.11795070445459,
"volume_molar": 12.664253489624167,
"formula_full": "Li2 In1 Pb1",
"formula_reduced": "Li2InPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2043851974999999,
"spacegroup": 225
},
{
"id": "jvasp-8071",
"created_at": "2022-09-04T14:37:04.915397Z",
"updated_at": "2022-09-04T14:37:04.915424Z",
"structure_string": "Ga2 Cu2 Se4\n1.0\n5.154148 0.000000 -2.339013\n-1.061472 5.043661 -2.339013\n0.018990 0.023402 6.890082\nGa Cu Se\n2 2 4\ndirect\n0.500000 0.500000 0.000001 Ga\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.370439 0.375000 0.250000 Se\n0.125000 0.629561 0.750000 Se\n0.625000 0.120438 0.750000 Se\n0.879562 0.875000 0.250001 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-Se",
"density": 5.3822131638543524,
"density_atomic": 0.04452427156830362,
"volume": 179.67727978946027,
"volume_molar": 13.52552337832541,
"formula_full": "Ga2 Cu2 Se4",
"formula_reduced": "GaCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3602448770833333,
"spacegroup": 122
},
{
"id": "jvasp-30150",
"created_at": "2022-09-04T14:36:47.440319Z",
"updated_at": "2022-09-04T14:36:47.440341Z",
"structure_string": "Ti6 V4 O18\n1.0\n10.091183 2.560396 -2.789716\n-10.091183 2.560396 2.789716\n-0.200777 0.000000 6.874056\nTi V O\n6 4 18\ndirect\n-0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.893877 0.257475 0.433650 Ti\n0.257475 0.893877 0.066350 Ti\n0.106124 0.742526 0.566351 Ti\n0.742526 0.106125 0.933650 Ti\n0.390910 0.516046 0.081137 V\n0.516046 0.390910 0.418864 V\n0.483956 0.609090 0.581137 V\n0.609090 0.483956 0.918864 V\n0.329502 0.385685 0.864618 O\n0.206402 0.773119 0.348894 O\n0.773119 0.206402 0.151106 O\n0.793600 0.226882 0.651107 O\n0.226882 0.793600 0.848894 O\n0.670499 0.614317 0.135383 O\n0.614317 0.670499 0.364617 O\n0.385685 0.329503 0.635383 O\n0.986155 0.188442 0.995590 O\n0.743265 0.456757 0.523426 O\n0.543245 0.256736 0.023426 O\n0.256736 0.543245 0.476574 O\n0.812617 0.812617 0.750000 O\n0.188442 0.986155 0.504411 O\n0.013847 0.811560 0.004411 O\n0.811559 0.013847 0.495589 O\n0.456757 0.743266 0.976574 O\n0.187385 0.187385 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ti",
"V",
"O"
],
"chemical_system": "O-Ti-V",
"density": 3.671059136465138,
"density_atomic": 0.07946698178540196,
"volume": 352.3475960822711,
"volume_molar": 7.578167214482362,
"formula_full": "Ti6 V4 O18",
"formula_reduced": "Ti3V2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 3.509068921428572,
"spacegroup": 15
},
{
"id": "jvasp-15167",
"created_at": "2022-09-04T14:36:47.449401Z",
"updated_at": "2022-09-04T14:36:47.449416Z",
"structure_string": "U2 Se2 O2\n1.0\n3.877385 -0.000000 0.000000\n0.000000 3.877385 -0.000000\n0.000000 -0.000000 7.042098\nU Se O\n2 2 2\ndirect\n0.500001 0.000000 0.814008 U\n0.000000 0.500001 0.185993 U\n0.000000 0.500001 0.633410 Se\n0.500001 0.000000 0.366591 Se\n0.000000 0.000000 0.000000 O\n0.500001 0.500001 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Se",
"O"
],
"chemical_system": "O-Se-U",
"density": 10.44547428222267,
"density_atomic": 0.0566723646733213,
"volume": 105.8717072171954,
"volume_molar": 10.626238722724308,
"formula_full": "U2 Se2 O2",
"formula_reduced": "USeO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.069580955555556,
"spacegroup": 129
},
{
"id": "jvasp-50839",
"created_at": "2022-09-04T14:36:47.451475Z",
"updated_at": "2022-09-04T14:36:47.451500Z",
"structure_string": "Y1 Zr5 O11\n1.0\n0.000000 6.558550 0.030463\n3.539613 0.000000 0.000000\n0.000000 -0.083573 -9.007674\nY Zr O\n1 5 11\ndirect\n0.832437 0.500000 0.665744 Y\n0.186398 0.500000 0.331170 Zr\n0.508848 0.500000 0.993912 Zr\n0.663826 0.000000 0.328656 Zr\n0.314249 0.000000 0.667569 Zr\n0.989783 0.000000 0.002794 Zr\n0.030377 0.000000 0.277587 O\n0.700475 0.000000 0.100246 O\n0.369684 0.000000 0.922743 O\n0.144088 0.500000 0.560032 O\n0.481143 0.500000 0.718805 O\n0.797786 0.500000 0.912435 O\n0.027696 0.000000 0.769472 O\n0.466089 0.500000 0.226036 O\n0.771739 0.500000 0.416237 O\n0.132843 0.500000 0.070925 O\n0.385275 0.000000 0.437005 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Y",
"Zr",
"O"
],
"chemical_system": "O-Y-Zr",
"density": 5.72582931706854,
"density_atomic": 0.08130015282666014,
"volume": 209.10169795431577,
"volume_molar": 7.40729328374055,
"formula_full": "Y1 Zr5 O11",
"formula_reduced": "YZr5O11",
"formula_anonymous": "AB5C11",
"energy_above_hull": 3.545347438235294,
"spacegroup": 6
},
{
"id": "jvasp-8812",
"created_at": "2022-09-04T14:37:05.663529Z",
"updated_at": "2022-09-04T14:37:05.663560Z",
"structure_string": "K1 N1 O2\n1.0\n4.393646 -0.218195 -0.478745\n1.438394 3.753308 -0.038907\n1.141507 1.075989 4.137650\nK N O\n1 1 2\ndirect\n0.015646 0.964444 0.015646 K\n0.496051 0.558602 0.496051 N\n0.405876 0.404478 0.776427 O\n0.776428 0.404477 0.405876 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"N",
"O"
],
"chemical_system": "K-N-O",
"density": 1.989410780758056,
"density_atomic": 0.056310114262003434,
"volume": 71.03519593990761,
"volume_molar": 10.694598721607603,
"formula_full": "K1 N1 O2",
"formula_reduced": "KNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0070070625,
"spacegroup": 8
},
{
"id": "jvasp-101035",
"created_at": "2022-09-04T14:36:47.437817Z",
"updated_at": "2022-09-04T14:36:47.437837Z",
"structure_string": "Y2 Zn1 Ag1\n1.0\n4.400433 -0.000000 2.540591\n1.466811 4.148768 2.540591\n-0.000000 -0.000000 5.081183\nY Zn Ag\n2 1 1\ndirect\n0.749999 0.750000 0.749999 Y\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Ag"
],
"chemical_system": "Ag-Y-Zn",
"density": 6.284732502947061,
"density_atomic": 0.043120182705603756,
"volume": 92.76398542439787,
"volume_molar": 13.965944442107808,
"formula_full": "Y2 Zn1 Ag1",
"formula_reduced": "Y2ZnAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8909896399999999,
"spacegroup": 225
},
{
"id": "jvasp-51183",
"created_at": "2022-09-04T14:37:04.930627Z",
"updated_at": "2022-09-04T14:37:04.930650Z",
"structure_string": "Sc1 Tl2 W1\n1.0\n0.000000 3.452463 3.452463\n3.452463 0.000000 3.452463\n3.452463 3.452463 0.000000\nSc Tl W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.749999 0.749999 0.749999 Tl\n0.250000 0.250000 0.250000 Tl\n0.500000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"W"
],
"chemical_system": "Sc-Tl-W",
"density": 12.86337042191097,
"density_atomic": 0.048600741666905735,
"volume": 82.30327074872123,
"volume_molar": 12.391047036429747,
"formula_full": "Sc1 Tl2 W1",
"formula_reduced": "ScTl2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4420926125,
"spacegroup": 225
}
]
}