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=id&page=453",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=451",
"results": [
{
"id": "jvasp-107718",
"created_at": "2022-09-04T14:36:59.068843Z",
"updated_at": "2022-09-04T14:36:59.068871Z",
"structure_string": "Nd2 Co1 O4\n1.0\n3.664189 0.060517 -5.780150\n-0.257849 3.655606 -5.780150\n-0.055472 -0.060517 6.843489\nNd Co O\n2 1 4\ndirect\n0.363376 0.363376 0.000001 Nd\n0.636624 0.636625 0.000001 Nd\n0.000000 0.000000 0.000000 Co\n0.178688 0.178688 0.000000 O\n0.821312 0.821314 0.000002 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Nd",
"Co",
"O"
],
"chemical_system": "Co-Nd-O",
"density": 7.6546096867929485,
"density_atomic": 0.07843178296215572,
"volume": 89.24953297794575,
"volume_molar": 7.6781892908207325,
"formula_full": "Nd2 Co1 O4",
"formula_reduced": "Nd2CoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.243962557142857,
"spacegroup": 139
},
{
"id": "jvasp-107719",
"created_at": "2022-09-04T14:37:02.328223Z",
"updated_at": "2022-09-04T14:37:02.328244Z",
"structure_string": "Sm4 Ge4 Rh2\n1.0\n5.226110 -0.009651 2.458964\n3.431528 3.941692 2.458964\n-0.010060 -0.004569 10.537754\nSm Ge Rh\n4 4 2\ndirect\n0.990817 0.990816 0.330484 Sm\n0.009183 0.009183 0.669515 Sm\n0.809678 0.809677 0.117390 Sm\n0.190323 0.190323 0.882609 Sm\n0.646368 0.646367 0.444112 Ge\n0.353633 0.353633 0.555887 Ge\n0.518762 0.518762 0.115761 Ge\n0.481238 0.481238 0.884238 Ge\n0.728391 0.728390 0.660351 Rh\n0.271610 0.271609 0.339648 Rh\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Sm",
"density": 8.379812321518047,
"density_atomic": 0.04596821252474559,
"volume": 217.5416325926705,
"volume_molar": 13.100663326332658,
"formula_full": "Sm4 Ge4 Rh2",
"formula_reduced": "Sm2Ge2Rh",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.42345853,
"spacegroup": 12
},
{
"id": "jvasp-107720",
"created_at": "2022-09-04T14:37:03.746780Z",
"updated_at": "2022-09-04T14:37:03.746799Z",
"structure_string": "Zr6 Si4\n1.0\n7.114212 0.000000 0.000000\n0.000000 7.114212 0.000000\n-0.000000 0.000000 3.711598\nZr Si\n6 4\ndirect\n0.674546 0.174546 0.500000 Zr\n0.325453 0.825453 0.500000 Zr\n0.174546 0.325453 0.500000 Zr\n0.825453 0.674546 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 -0.000000 Zr\n0.122578 0.622577 -0.000000 Si\n0.877422 0.377422 -0.000000 Si\n0.622577 0.877422 -0.000000 Si\n0.377422 0.122578 -0.000000 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"Si"
],
"chemical_system": "Si-Zr",
"density": 5.8313865029571375,
"density_atomic": 0.05323355408316665,
"volume": 187.851443929087,
"volume_molar": 11.312678373102093,
"formula_full": "Zr6 Si4",
"formula_reduced": "Zr3Si2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.9190841400000007,
"spacegroup": 127
},
{
"id": "jvasp-107721",
"created_at": "2022-09-04T14:36:30.373184Z",
"updated_at": "2022-09-04T14:36:30.373207Z",
"structure_string": "Zr1 U1 Al4\n1.0\n4.708520 -0.000000 2.718465\n1.569507 4.439235 2.718465\n-0.000000 -0.000000 5.436931\nZr U Al\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 U\n0.624802 0.624802 0.125595 Al\n0.624802 0.125595 0.624802 Al\n0.125595 0.624802 0.624802 Al\n0.624802 0.624802 0.624802 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"U",
"Al"
],
"chemical_system": "Al-U-Zr",
"density": 6.387958366829698,
"density_atomic": 0.052796468449593424,
"volume": 113.64396476117344,
"volume_molar": 11.406332538604435,
"formula_full": "Zr1 U1 Al4",
"formula_reduced": "ZrUAl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.1080219500000004,
"spacegroup": 216
},
{
"id": "jvasp-107723",
"created_at": "2022-09-04T14:37:01.397552Z",
"updated_at": "2022-09-04T14:37:01.397572Z",
"structure_string": "Zr1 Al2 Zn1\n1.0\n4.100192 -0.000000 0.000000\n0.000000 4.100192 0.000000\n-0.000000 -0.000000 4.041371\nZr Al Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Zn"
],
"chemical_system": "Al-Zn-Zr",
"density": 5.1470959720547365,
"density_atomic": 0.05887391041993138,
"volume": 67.9418093934835,
"volume_molar": 10.228878491416197,
"formula_full": "Zr1 Al2 Zn1",
"formula_reduced": "ZrAl2Zn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4021201250000002,
"spacegroup": 123
},
{
"id": "jvasp-107724",
"created_at": "2022-09-04T14:38:48.149540Z",
"updated_at": "2022-09-04T14:38:48.149568Z",
"structure_string": "Zn4 Fe1 S5\n1.0\n3.800460 0.002022 15.360699\n1.873715 3.306463 15.360699\n0.003468 0.002022 15.823860\nZn Fe S\n4 1 5\ndirect\n0.000341 0.000341 0.000341 Zn\n0.600028 0.600027 0.600029 Zn\n0.199726 0.199726 0.199726 Zn\n0.799407 0.799405 0.799409 Zn\n0.400393 0.400393 0.400394 Fe\n0.950268 0.950266 0.950270 S\n0.549985 0.549984 0.549986 S\n0.149694 0.149694 0.149694 S\n0.749254 0.749252 0.749255 S\n0.350905 0.350904 0.350906 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 3.9960878151921464,
"density_atomic": 0.05036563651508002,
"volume": 198.5480715012088,
"volume_molar": 11.956844342068239,
"formula_full": "Zn4 Fe1 S5",
"formula_reduced": "Zn4FeS5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.7153807099999999,
"spacegroup": 160
},
{
"id": "jvasp-107725",
"created_at": "2022-09-04T14:38:49.324112Z",
"updated_at": "2022-09-04T14:38:49.324132Z",
"structure_string": "Yb2 U1 Se3 O2\n1.0\n3.803495 0.007681 -10.519994\n-0.109562 3.801924 -10.519994\n-0.007447 -0.007681 11.186456\nYb U Se O\n2 1 3 2\ndirect\n0.993162 0.993162 -0.000001 Yb\n0.306172 0.306172 -0.000000 Yb\n0.694662 0.694662 -0.000001 U\n0.863402 0.863402 -0.000001 Se\n0.128114 0.128114 -0.000000 Se\n0.533984 0.533984 -0.000001 Se\n0.740249 0.240250 0.499999 O\n0.240250 0.740250 0.499999 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Yb",
"U",
"Se",
"O"
],
"chemical_system": "O-Se-U-Yb",
"density": 8.78896580902616,
"density_atomic": 0.04964047067461148,
"volume": 161.15882648331907,
"volume_molar": 12.131514222487041,
"formula_full": "Yb2 U1 Se3 O2",
"formula_reduced": "Yb2USe3O2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.6532443124999996,
"spacegroup": 107
},
{
"id": "jvasp-107728",
"created_at": "2022-09-04T14:36:59.258136Z",
"updated_at": "2022-09-04T14:36:59.258147Z",
"structure_string": "V1 Ga1\n1.0\n2.773106 0.000000 0.000000\n-1.386553 2.401580 0.000000\n-0.000000 -0.000000 4.332840\nV Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.333335 0.666667 0.500000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Ga"
],
"chemical_system": "Ga-V",
"density": 6.943723748970322,
"density_atomic": 0.06930966743210294,
"volume": 28.85600341336564,
"volume_molar": 8.688745716316417,
"formula_full": "V1 Ga1",
"formula_reduced": "VGa",
"formula_anonymous": "AB",
"energy_above_hull": 1.2518532625,
"spacegroup": 187
},
{
"id": "jvasp-107729",
"created_at": "2022-09-04T14:37:01.693938Z",
"updated_at": "2022-09-04T14:37:01.693959Z",
"structure_string": "V4 C3\n1.0\n2.884540 -0.005231 9.054141\n1.403070 2.520316 9.054141\n-0.008917 -0.005231 9.502524\nV C\n4 3\ndirect\n0.877243 0.877246 0.877244 V\n0.122755 0.122756 0.122756 V\n0.374740 0.374741 0.374740 V\n0.625258 0.625261 0.625259 V\n0.254427 0.254428 0.254427 C\n0.499999 0.500001 0.500000 C\n0.745571 0.745574 0.745572 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"V",
"C"
],
"chemical_system": "C-V",
"density": 5.735460140741144,
"density_atomic": 0.10082575221402566,
"volume": 69.42670742630219,
"volume_molar": 5.972820066064702,
"formula_full": "V4 C3",
"formula_reduced": "V4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.719998114285716,
"spacegroup": 166
},
{
"id": "jvasp-10773",
"created_at": "2022-09-04T14:37:26.992213Z",
"updated_at": "2022-09-04T14:37:26.992225Z",
"structure_string": "K2 Pr2 Te8\n1.0\n6.970719 0.000000 0.000000\n0.000000 6.970719 0.000000\n0.000000 -0.000000 8.750876\nK Pr Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.500000 Pr\n0.356059 0.856059 0.278712 Te\n0.143941 0.356059 0.278712 Te\n0.856059 0.643941 0.278712 Te\n0.356059 0.143941 0.721289 Te\n0.643941 0.856059 0.721289 Te\n0.643941 0.143941 0.278712 Te\n0.856059 0.356059 0.721289 Te\n0.143941 0.643941 0.721289 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Pr",
"Te"
],
"chemical_system": "K-Pr-Te",
"density": 5.392335889597991,
"density_atomic": 0.028221140704463257,
"volume": 425.21314519728696,
"volume_molar": 21.339111778169833,
"formula_full": "K2 Pr2 Te8",
"formula_reduced": "KPrTe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6485998194444447,
"spacegroup": 125
},
{
"id": "jvasp-107731",
"created_at": "2022-09-04T14:36:59.585931Z",
"updated_at": "2022-09-04T14:36:59.585958Z",
"structure_string": "U2 P1 S1\n1.0\n3.734027 -0.031505 5.514566\n1.668112 3.340861 5.514566\n-0.051428 -0.031505 6.659636\nU P S\n2 1 1\ndirect\n0.249596 0.249595 0.249596 U\n0.750405 0.750402 0.750407 U\n0.000000 0.000000 0.000000 P\n0.500001 0.499998 0.500002 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"P",
"S"
],
"chemical_system": "P-S-U",
"density": 10.563548922351782,
"density_atomic": 0.04720132212415532,
"volume": 84.74338895589952,
"volume_molar": 12.758415419296409,
"formula_full": "U2 P1 S1",
"formula_reduced": "U2PS",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.873059375,
"spacegroup": 166
},
{
"id": "jvasp-107733",
"created_at": "2022-09-04T14:38:47.796228Z",
"updated_at": "2022-09-04T14:38:47.796256Z",
"structure_string": "V1 Fe2 Se4\n1.0\n5.965658 -0.026004 2.833372\n5.004599 3.247114 2.833372\n-0.021525 -0.006320 6.048120\nV Fe Se\n1 2 4\ndirect\n0.755750 0.755750 0.185733 V\n0.502409 0.502409 0.497974 Fe\n0.240433 0.240434 0.816894 Fe\n0.860151 0.860151 0.486984 Se\n0.140232 0.140233 0.527626 Se\n0.392762 0.392763 0.938266 Se\n0.608261 0.608261 0.046523 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-V",
"density": 6.723931625715253,
"density_atomic": 0.059240150995966016,
"volume": 118.16310192181427,
"volume_molar": 10.165640463019885,
"formula_full": "V1 Fe2 Se4",
"formula_reduced": "V(FeSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.674381238095238,
"spacegroup": 8
}
]
}