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=559",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=557",
"results": [
{
"id": "jvasp-86090",
"created_at": "2022-09-04T14:36:07.201224Z",
"updated_at": "2022-09-04T14:36:07.201267Z",
"structure_string": "U12 Mn2\n1.0\n5.021917 0.000000 1.808300\n2.510958 7.184908 0.904150\n0.076802 0.000000 7.664163\nU Mn\n12 2\ndirect\n0.098642 0.683660 0.119058 U\n0.901358 0.316340 0.880942 U\n0.093670 0.312659 0.500000 U\n0.593671 0.500000 0.312658 U\n0.598642 0.119058 0.683659 U\n0.282301 0.316340 0.119058 U\n0.782301 0.119058 0.316340 U\n0.906330 0.687342 0.500000 U\n0.401358 0.880943 0.316340 U\n0.217699 0.880943 0.683659 U\n0.406330 0.500000 0.687341 U\n0.717700 0.683660 0.880942 U\n0.250000 0.000000 -0.000000 Mn\n0.750000 0.000000 -0.000000 Mn\n",
"nsites": 14,
"nelements": 2,
"elements": [
"U",
"Mn"
],
"chemical_system": "Mn-U",
"density": 17.875876400737667,
"density_atomic": 0.050809214612332475,
"volume": 275.540570875148,
"volume_molar": 11.852457877863555,
"formula_full": "U12 Mn2",
"formula_reduced": "U6Mn",
"formula_anonymous": "AB6",
"energy_above_hull": 6.531034748768473,
"spacegroup": 140
},
{
"id": "jvasp-8609",
"created_at": "2022-09-04T14:37:07.295257Z",
"updated_at": "2022-09-04T14:37:07.295278Z",
"structure_string": "Sr2 Co1 Cl2 O2\n1.0\n3.783093 0.000000 -0.981297\n-0.254539 3.774519 -0.981297\n0.198036 0.211841 8.546393\nSr Co Cl O\n2 1 2 2\ndirect\n0.608693 0.608693 0.217385 Sr\n0.391308 0.391307 0.782614 Sr\n0.000000 0.000000 0.000000 Co\n0.186360 0.186362 0.372721 Cl\n0.813639 0.813638 0.627278 Cl\n0.500000 0.000000 -0.000000 O\n0.999998 0.500000 -0.000001 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Cl",
"O"
],
"chemical_system": "Cl-Co-O-Sr",
"density": 4.528208889939917,
"density_atomic": 0.05662979553063882,
"volume": 123.60984062202273,
"volume_molar": 10.634226564956954,
"formula_full": "Sr2 Co1 Cl2 O2",
"formula_reduced": "Sr2Co(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.8442926650000001,
"spacegroup": 139
},
{
"id": "jvasp-86089",
"created_at": "2022-09-04T14:36:00.923030Z",
"updated_at": "2022-09-04T14:36:00.923059Z",
"structure_string": "Y4 Ru8\n1.0\n5.259585 0.000000 0.000000\n-2.629793 4.554935 -0.000000\n0.000000 -0.000000 8.931609\nY Ru\n4 8\ndirect\n0.333334 0.666668 0.432857 Y\n0.666668 0.333333 0.567143 Y\n0.666668 0.333333 0.932857 Y\n0.333334 0.666668 0.067143 Y\n0.170523 0.341046 0.750000 Ru\n0.170524 0.829478 0.750000 Ru\n0.341046 0.170523 0.250000 Ru\n0.829479 0.658955 0.250000 Ru\n0.658956 0.829478 0.750000 Ru\n0.000000 0.000000 0.000000 Ru\n0.829478 0.170523 0.250000 Ru\n0.000000 0.000000 0.500000 Ru\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Y",
"Ru"
],
"chemical_system": "Ru-Y",
"density": 9.034562678961937,
"density_atomic": 0.0560812753487674,
"volume": 213.97516239373016,
"volume_molar": 10.738237892324179,
"formula_full": "Y4 Ru8",
"formula_reduced": "YRu2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4046221500000007,
"spacegroup": 194
},
{
"id": "jvasp-86087",
"created_at": "2022-09-04T14:35:54.164338Z",
"updated_at": "2022-09-04T14:35:54.164359Z",
"structure_string": "Ca9 N6\n1.0\n3.776797 0.000000 -0.000000\n-1.888399 7.324701 -1.359168\n-0.000000 0.013990 9.306880\nCa N\n9 6\ndirect\n0.126873 0.253745 0.278625 Ca\n0.790467 0.580933 0.378616 Ca\n0.827811 0.655622 0.034966 Ca\n0.209533 0.419067 0.621383 Ca\n0.172189 0.344378 0.965033 Ca\n0.873128 0.746255 0.721375 Ca\n0.469622 0.939243 0.340449 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.530379 0.060757 0.659551 Ca\n0.359073 0.718145 0.512241 N\n0.030691 0.061382 0.811902 N\n0.969310 0.938617 0.188097 N\n0.317708 0.635415 0.869376 N\n0.640927 0.281855 0.487759 N\n0.682293 0.364585 0.130624 N\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.8676005717864146,
"density_atomic": 0.05824417255453419,
"volume": 257.53649407510176,
"volume_molar": 10.339473454381126,
"formula_full": "Ca9 N6",
"formula_reduced": "Ca3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.718789552,
"spacegroup": 12
},
{
"id": "jvasp-86086",
"created_at": "2022-09-04T14:35:47.390437Z",
"updated_at": "2022-09-04T14:35:47.390465Z",
"structure_string": "Rb1 In6 Au4\n1.0\n8.270572 -0.000000 -0.000000\n-4.135286 7.162525 -0.000000\n-0.000000 0.000000 4.560261\nRb In Au\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.535262 0.464738 0.000000 In\n0.196816 0.803184 0.500000 In\n0.535262 0.070524 0.000000 In\n0.196816 0.393632 0.500000 In\n0.929476 0.464738 0.000000 In\n0.606368 0.803184 0.500000 In\n0.796064 0.203936 0.500000 Au\n0.333333 0.666667 0.000000 Au\n0.796064 0.592129 0.500000 Au\n0.407871 0.203936 0.500000 Au\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Rb",
"In",
"Au"
],
"chemical_system": "Au-In-Rb",
"density": 9.602980141663949,
"density_atomic": 0.040719392302058975,
"volume": 270.14155610185236,
"volume_molar": 14.789367963370836,
"formula_full": "Rb1 In6 Au4",
"formula_reduced": "Rb(In3Au2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-86084",
"created_at": "2022-09-04T14:35:42.568740Z",
"updated_at": "2022-09-04T14:35:42.568767Z",
"structure_string": "Nd4 Al4 Pt4\n1.0\n4.485927 0.000000 0.000000\n0.000000 7.187765 0.000000\n0.000000 0.000000 7.871169\nNd Al Pt\n4 4 4\ndirect\n0.750001 0.472253 0.817647 Nd\n0.250000 0.027746 0.317647 Nd\n0.750001 0.972253 0.682353 Nd\n0.250000 0.527746 0.182353 Nd\n0.750001 0.852877 0.068321 Al\n0.250000 0.647122 0.568321 Al\n0.750001 0.352877 0.431679 Al\n0.250000 0.147122 0.931679 Al\n0.750001 0.716199 0.390441 Pt\n0.750001 0.216199 0.109559 Pt\n0.250000 0.283800 0.609559 Pt\n0.250000 0.783800 0.890441 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Pt"
],
"chemical_system": "Al-Nd-Pt",
"density": 9.586711026150319,
"density_atomic": 0.047282010737907644,
"volume": 253.79631307386808,
"volume_molar": 12.736642680832182,
"formula_full": "Nd4 Al4 Pt4",
"formula_reduced": "NdAlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3912052333333331,
"spacegroup": 62
},
{
"id": "jvasp-86083",
"created_at": "2022-09-04T14:36:18.002525Z",
"updated_at": "2022-09-04T14:36:18.002550Z",
"structure_string": "La1 Ni2 B2 C1\n1.0\n3.581686 -0.000000 -1.290565\n-0.465021 3.551370 -1.290565\n-0.010665 -0.012153 5.585783\nLa Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.250001 0.750001 0.500001 Ni\n0.750002 0.250000 0.500001 Ni\n0.348331 0.348330 0.696659 B\n0.651672 0.651671 0.303343 B\n0.500001 0.500000 0.000001 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"La",
"Ni",
"B",
"C"
],
"chemical_system": "B-C-La-Ni",
"density": 6.78663523853552,
"density_atomic": 0.08458065417551491,
"volume": 70.93820754269986,
"volume_molar": 7.119997851403871,
"formula_full": "La1 Ni2 B2 C1",
"formula_reduced": "LaNi2B2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.4197308277777774,
"spacegroup": 139
},
{
"id": "jvasp-86082",
"created_at": "2022-09-04T14:36:13.810852Z",
"updated_at": "2022-09-04T14:36:13.810876Z",
"structure_string": "Ce4 P8\n1.0\n3.999151 0.000000 -0.507796\n0.000000 6.424500 0.000000\n0.075760 0.000000 9.683119\nCe P\n4 8\ndirect\n0.216080 0.315075 0.138303 Ce\n0.783919 0.684925 0.861696 Ce\n0.283920 0.815075 0.361696 Ce\n0.716080 0.184925 0.638303 Ce\n0.209056 0.855238 0.672309 P\n0.790943 0.144762 0.327690 P\n0.149284 0.368621 0.449370 P\n0.350715 0.868622 0.050629 P\n0.709056 0.644762 0.172309 P\n0.649284 0.131379 0.949370 P\n0.850715 0.631379 0.550629 P\n0.290943 0.355238 0.827691 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ce",
"P"
],
"chemical_system": "Ce-P",
"density": 5.389436641314569,
"density_atomic": 0.04818674658318942,
"volume": 249.03113098294037,
"volume_molar": 12.497504370010533,
"formula_full": "Ce4 P8",
"formula_reduced": "CeP2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0464455,
"spacegroup": 14
},
{
"id": "jvasp-86081",
"created_at": "2022-09-04T14:36:06.999510Z",
"updated_at": "2022-09-04T14:36:06.999538Z",
"structure_string": "Dy4 Sn10\n1.0\n4.369239 0.000000 0.000000\n-0.000000 4.430197 0.000000\n0.000000 0.000000 19.241675\nDy Sn\n4 10\ndirect\n0.250000 0.750001 0.871575 Dy\n0.250000 0.250000 0.300528 Dy\n0.750000 0.750001 0.699472 Dy\n0.750000 0.250000 0.128425 Dy\n0.250000 0.250000 0.735746 Sn\n0.750000 0.250000 0.424565 Sn\n0.750000 0.250000 0.842872 Sn\n0.750000 0.250000 0.576626 Sn\n0.750000 0.750001 0.264254 Sn\n0.250000 0.750001 0.423373 Sn\n0.250000 0.750001 0.575435 Sn\n0.250000 0.750001 0.157127 Sn\n0.250000 0.250000 0.998445 Sn\n0.750000 0.750001 0.001555 Sn\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Dy",
"Sn"
],
"chemical_system": "Dy-Sn",
"density": 8.190495564837587,
"density_atomic": 0.03758861470998548,
"volume": 372.45320446142637,
"volume_molar": 16.021183026998354,
"formula_full": "Dy4 Sn10",
"formula_reduced": "Dy2Sn5",
"formula_anonymous": "A2B5",
"energy_above_hull": 0.7241587857142857,
"spacegroup": 59
},
{
"id": "jvasp-86080",
"created_at": "2022-09-04T14:36:02.412312Z",
"updated_at": "2022-09-04T14:36:02.412337Z",
"structure_string": "Tb4 Ga12 Pt1\n1.0\n7.052107 0.000000 -2.493296\n-3.526054 6.107304 -2.493296\n-0.000000 -0.000000 7.479889\nTb Ga Pt\n4 12 1\ndirect\n0.500000 -0.000000 -0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.500000 Tb\n0.000000 0.500000 -0.000000 Tb\n0.702583 0.702582 -0.000001 Ga\n0.750000 0.500000 0.249999 Ga\n0.500000 0.250000 0.750000 Ga\n0.000000 0.702582 0.702582 Ga\n0.297417 0.297417 -0.000000 Ga\n0.250000 0.500000 0.750000 Ga\n0.297417 0.000000 0.297417 Ga\n0.500000 0.749999 0.249999 Ga\n0.250000 0.749999 0.499999 Ga\n0.702583 0.000000 0.702583 Ga\n0.000000 0.297417 0.297417 Ga\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Tb",
"density": 8.59490938476497,
"density_atomic": 0.052769786490444344,
"volume": 322.15404174656635,
"volume_molar": 11.412099916474935,
"formula_full": "Tb4 Ga12 Pt1",
"formula_reduced": "Tb4Ga12Pt",
"formula_anonymous": "AB4C12",
"energy_above_hull": 0.189288994117647,
"spacegroup": 229
},
{
"id": "jvasp-8608",
"created_at": "2022-09-04T14:36:44.248933Z",
"updated_at": "2022-09-04T14:36:44.248954Z",
"structure_string": "Rb2 Ca1 H4\n1.0\n4.287704 -0.000000 -1.244240\n-0.361063 4.272475 -1.244240\n-0.000384 -0.000418 8.008603\nRb Ca H\n2 1 4\ndirect\n0.648133 0.648132 0.296264 Rb\n0.351868 0.351867 0.703735 Rb\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 -0.000000 H\n0.000000 0.499999 -0.000000 H\n0.843277 0.843276 0.686554 H\n0.156723 0.156723 0.313446 H\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"H"
],
"chemical_system": "Ca-H-Rb",
"density": 2.4340600137124455,
"density_atomic": 0.047714474835219046,
"volume": 146.706005340609,
"volume_molar": 12.621203064263703,
"formula_full": "Rb2 Ca1 H4",
"formula_reduced": "Rb2CaH4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.236838631428571,
"spacegroup": 139
},
{
"id": "jvasp-86079",
"created_at": "2022-09-04T14:35:57.614198Z",
"updated_at": "2022-09-04T14:35:57.614214Z",
"structure_string": "K4 Ga6\n1.0\n5.749257 -0.000000 -2.200643\n-0.842340 5.687215 -2.200643\n-0.049207 -0.057032 8.481834\nK Ga\n4 6\ndirect\n0.390426 0.390426 0.780853 K\n0.250000 0.750000 0.500000 K\n0.609574 0.609573 0.219147 K\n0.750000 0.250000 0.500000 K\n-0.000000 0.294802 0.000000 Ga\n0.143250 0.143250 0.286498 Ga\n0.294802 0.000000 0.000000 Ga\n-0.000000 0.705197 0.000000 Ga\n0.856750 0.856750 0.713501 Ga\n0.705198 0.000000 0.000000 Ga\n",
"nsites": 10,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 3.459222940410841,
"density_atomic": 0.036246383482529315,
"volume": 275.88959336646593,
"volume_molar": 16.614459654720203,
"formula_full": "K4 Ga6",
"formula_reduced": "K2Ga3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.163336342344337e-17,
"spacegroup": 139
}
]
}