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=386",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=384",
"results": [
{
"id": "jvasp-29642",
"created_at": "2022-09-04T14:37:01.532532Z",
"updated_at": "2022-09-04T14:37:01.532558Z",
"structure_string": "Mg2 Cl4\n1.0\n6.064337 1.783456 3.136456\n3.021527 6.026511 2.187438\n2.667421 0.010145 6.566110\nMg Cl\n2 4\ndirect\n0.500108 0.867833 0.867843 Mg\n0.499893 0.132166 0.132158 Mg\n0.976998 0.762393 0.760642 Cl\n0.023002 0.237607 0.239359 Cl\n0.500000 -0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 1.921793090205747,
"density_atomic": 0.03646629645150415,
"volume": 164.53549123035538,
"volume_molar": 16.514264803415763,
"formula_full": "Mg2 Cl4",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0568133333333332,
"spacegroup": 12
},
{
"id": "jvasp-7986",
"created_at": "2022-09-04T14:37:00.529738Z",
"updated_at": "2022-09-04T14:37:00.529761Z",
"structure_string": "Tb1 N1\n1.0\n3.022482 0.000000 1.745030\n1.007494 2.849623 1.745030\n0.000000 0.000000 3.490062\nTb N\n1 1\ndirect\n0.499999 0.499999 0.500000 Tb\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"N"
],
"chemical_system": "N-Tb",
"density": 9.55301180725349,
"density_atomic": 0.06653432004663508,
"volume": 30.05967444468005,
"volume_molar": 9.051179535281904,
"formula_full": "Tb1 N1",
"formula_reduced": "TbN",
"formula_anonymous": "AB",
"energy_above_hull": 1.2499008249999997,
"spacegroup": 225
},
{
"id": "jvasp-4397",
"created_at": "2022-09-04T14:36:47.577421Z",
"updated_at": "2022-09-04T14:36:47.577456Z",
"structure_string": "P16 Se20\n1.0\n6.676504 0.000000 0.000000\n0.000000 11.210675 0.000000\n0.000000 0.000000 12.927410\nP Se\n16 20\ndirect\n0.492718 0.463584 0.441908 P\n0.962456 0.985529 0.326325 P\n0.037544 0.485529 0.673675 P\n0.537543 0.985529 0.826325 P\n0.901179 0.152415 0.098303 P\n0.098821 0.652415 0.901697 P\n0.598820 0.152415 0.598303 P\n0.401179 0.652415 0.401697 P\n0.462456 0.485529 0.173675 P\n0.689090 0.517430 0.891611 P\n0.189090 0.017430 0.608389 P\n0.810909 0.517430 0.391611 P\n0.992717 0.963584 0.058092 P\n0.007282 0.463584 0.941908 P\n0.507282 0.963584 0.558092 P\n0.310909 0.017430 0.108389 P\n0.173598 0.664747 0.728286 Se\n0.823105 0.244760 0.508794 Se\n0.176894 0.744760 0.491206 Se\n0.224330 0.215289 0.066996 Se\n0.775670 0.715290 0.933004 Se\n0.275670 0.215289 0.566996 Se\n0.724329 0.715290 0.433004 Se\n0.826401 0.164747 0.271714 Se\n0.673598 0.164747 0.771714 Se\n0.639488 0.860781 0.691612 Se\n0.298664 -0.000733 0.286363 Se\n0.701336 0.499268 0.713637 Se\n0.201336 -0.000733 0.786363 Se\n0.798663 0.499268 0.213637 Se\n0.860511 0.860781 0.191612 Se\n0.139488 0.360781 0.808388 Se\n0.323105 0.744760 0.991206 Se\n0.360511 0.360781 0.308388 Se\n0.326401 0.664747 0.228286 Se\n0.676894 0.244760 0.008794 Se\n",
"nsites": 36,
"nelements": 2,
"elements": [
"P",
"Se"
],
"chemical_system": "P-Se",
"density": 3.5606459465697013,
"density_atomic": 0.037205753282531236,
"volume": 967.5922894673024,
"volume_molar": 16.186047126285445,
"formula_full": "P16 Se20",
"formula_reduced": "P4Se5",
"formula_anonymous": "A4B5",
"energy_above_hull": 2.4770720925925924,
"spacegroup": 33
},
{
"id": "jvasp-7992",
"created_at": "2022-09-04T14:37:00.542037Z",
"updated_at": "2022-09-04T14:37:00.542063Z",
"structure_string": "Ge3 O6\n1.0\n2.491795 -4.315915 0.000000\n2.491795 4.315915 0.000000\n-0.000000 -0.000000 5.741113\nGe O\n3 6\ndirect\n0.446771 0.446771 0.000000 Ge\n0.553230 0.000001 0.666667 Ge\n0.000001 0.553230 0.333333 Ge\n0.609287 0.690421 0.752645 O\n0.081136 0.390715 0.085980 O\n0.309582 0.918865 0.419313 O\n0.690421 0.609287 0.247354 O\n0.918865 0.309582 0.580687 O\n0.390715 0.081136 0.914020 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ge",
"O"
],
"chemical_system": "Ge-O",
"density": 4.2213544451397516,
"density_atomic": 0.07288383661300141,
"volume": 123.48416903171822,
"volume_molar": 8.262656083784888,
"formula_full": "Ge3 O6",
"formula_reduced": "GeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1038143166666663,
"spacegroup": 154
},
{
"id": "jvasp-7678",
"created_at": "2022-09-04T14:37:02.858941Z",
"updated_at": "2022-09-04T14:37:02.858963Z",
"structure_string": "Mg1 Se1\n1.0\n3.354547 0.000000 1.936749\n1.118182 3.162697 1.936749\n0.000000 0.000000 3.873498\nMg Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 4.17260662307628,
"density_atomic": 0.04866706905332365,
"volume": 41.095550623947275,
"volume_molar": 12.374159523355816,
"formula_full": "Mg1 Se1",
"formula_reduced": "MgSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0053499999999999,
"spacegroup": 225
},
{
"id": "jvasp-50518",
"created_at": "2022-09-04T14:37:05.311301Z",
"updated_at": "2022-09-04T14:37:05.311329Z",
"structure_string": "Ti8 O16\n1.0\n2.968152 -5.140989 0.000000\n2.968152 5.140989 -0.000000\n0.000000 -0.000000 8.993922\nTi O\n8 16\ndirect\n0.335832 0.167916 0.210981 Ti\n0.832083 0.664167 0.210981 Ti\n0.167916 0.335832 0.710981 Ti\n0.664167 0.832083 0.710981 Ti\n0.666667 0.333333 0.490627 Ti\n0.832084 0.167916 0.210981 Ti\n0.333333 0.666667 0.990627 Ti\n0.167916 0.832084 0.710981 Ti\n0.170869 0.829130 0.102466 O\n0.333333 0.666667 0.597741 O\n0.476337 0.523663 0.838401 O\n0.047325 0.523663 0.838401 O\n0.829130 0.658260 0.602466 O\n0.170870 0.341739 0.102466 O\n0.952674 0.476337 0.338402 O\n0.000000 0.000000 0.313936 O\n0.829130 0.170869 0.602466 O\n0.000000 0.000000 0.813936 O\n0.476337 0.952674 0.838401 O\n0.666667 0.333333 0.097741 O\n0.523663 0.047325 0.338402 O\n0.341739 0.170870 0.602466 O\n0.523663 0.476337 0.338402 O\n0.658260 0.829130 0.102466 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.8653427152344952,
"density_atomic": 0.08743781915974165,
"volume": 274.480770799578,
"volume_molar": 6.887340990284818,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.511578444444445,
"spacegroup": 186
},
{
"id": "jvasp-7691",
"created_at": "2022-09-04T14:37:05.566867Z",
"updated_at": "2022-09-04T14:37:05.566894Z",
"structure_string": "Yb1 C2\n1.0\n3.363753 0.000000 -1.718629\n-0.878093 3.247120 -1.718629\n0.007764 0.010141 4.166327\nYb C\n1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.598072 0.598072 0.196142 C\n0.401927 0.401928 0.803857 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Yb",
"C"
],
"chemical_system": "C-Yb",
"density": 7.172280466869893,
"density_atomic": 0.06575485999279729,
"volume": 45.62400407100885,
"volume_molar": 9.158472485014277,
"formula_full": "Yb1 C2",
"formula_reduced": "YbC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.256896899999999,
"spacegroup": 139
},
{
"id": "jvasp-18460",
"created_at": "2022-09-04T14:36:47.690907Z",
"updated_at": "2022-09-04T14:36:47.690932Z",
"structure_string": "Pr2 Si4\n1.0\n4.117867 0.000000 -1.195684\n-0.347184 4.103205 -1.195684\n-0.016525 -0.017982 7.631781\nPr Si\n2 4\ndirect\n0.875002 0.624999 0.250001 Pr\n0.125001 0.375000 0.750000 Pr\n0.709676 0.959672 0.919347 Si\n0.459674 0.209673 0.419346 Si\n0.540329 0.790326 0.580655 Si\n0.290327 0.040327 0.080654 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Si"
],
"chemical_system": "Pr-Si",
"density": 5.082694780823737,
"density_atomic": 0.04659363673459649,
"volume": 128.77294885086548,
"volume_molar": 12.924813734336537,
"formula_full": "Pr2 Si4",
"formula_reduced": "PrSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1688590166666666,
"spacegroup": 141
},
{
"id": "jvasp-19840",
"created_at": "2022-09-04T14:36:54.237942Z",
"updated_at": "2022-09-04T14:36:54.237965Z",
"structure_string": "Np1 Te1\n1.0\n3.801942 -0.000000 2.195053\n1.267314 3.584505 2.195053\n0.000000 0.000000 4.390105\nNp Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.499999 0.500001 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"Te"
],
"chemical_system": "Np-Te",
"density": 10.119432932894881,
"density_atomic": 0.0334287710117018,
"volume": 59.82870262564832,
"volume_molar": 18.01484343499179,
"formula_full": "Np1 Te1",
"formula_reduced": "NpTe",
"formula_anonymous": "AB",
"energy_above_hull": 2.391583883333334,
"spacegroup": 225
},
{
"id": "jvasp-107158",
"created_at": "2022-09-04T14:37:00.563745Z",
"updated_at": "2022-09-04T14:37:00.563755Z",
"structure_string": "Ac1 Sm3\n1.0\n4.753332 -0.026348 -4.246694\n-0.969322 4.653523 -4.246694\n0.021547 0.026348 6.374018\nAc Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500001 Sm\n0.250000 0.750000 0.500001 Sm\n0.500000 0.499999 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"Sm"
],
"chemical_system": "Ac-Sm",
"density": 7.9351598399353325,
"density_atomic": 0.028189387403081457,
"volume": 141.89737232681932,
"volume_molar": 21.36314874065587,
"formula_full": "Ac1 Sm3",
"formula_reduced": "AcSm3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.33730665625,
"spacegroup": 139
},
{
"id": "jvasp-29667",
"created_at": "2022-09-04T14:37:00.570742Z",
"updated_at": "2022-09-04T14:37:00.570769Z",
"structure_string": "Cd8 I16\n1.0\n4.286146 -0.000000 0.000000\n-2.143073 3.711912 0.000000\n0.000000 -0.000000 55.020655\nCd I\n8 16\ndirect\n0.000000 0.000000 0.781244 Cd\n0.000000 0.000000 0.406285 Cd\n0.000000 0.000000 0.906208 Cd\n0.666668 0.333333 0.031233 Cd\n0.000000 0.000000 0.156252 Cd\n0.000000 0.000000 0.656242 Cd\n0.666668 0.333333 0.281244 Cd\n0.000000 0.000000 0.531231 Cd\n0.666668 0.333333 0.374778 I\n0.333334 0.666667 0.937741 I\n0.333334 0.666667 0.312777 I\n0.666668 0.333333 0.624734 I\n0.666668 0.333333 0.499723 I\n0.333334 0.666667 0.187783 I\n0.666668 0.333333 0.749736 I\n0.000000 0.000000 0.249745 I\n0.666668 0.333333 0.874707 I\n0.333334 0.666667 0.062768 I\n-0.000000 -0.000000 -0.000267 I\n0.666668 0.333333 0.124750 I\n0.333334 0.666667 0.562752 I\n0.333334 0.666667 0.812765 I\n0.333334 0.666667 0.437802 I\n0.333334 0.666667 0.687763 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.557643476874602,
"density_atomic": 0.02741705816717746,
"volume": 875.3674392656679,
"volume_molar": 21.96494139991085,
"formula_full": "Cd8 I16",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 9.9999999999989e-05,
"spacegroup": 156
},
{
"id": "jvasp-79089",
"created_at": "2022-09-04T14:37:02.812486Z",
"updated_at": "2022-09-04T14:37:02.812512Z",
"structure_string": "Na3 Tl1\n1.0\n-2.452525 2.452525 4.880872\n2.452525 -2.452525 4.880872\n2.452525 2.452525 -4.880872\nNa Tl\n3 1\ndirect\n0.749999 0.250000 0.499999 Na\n0.250000 0.749999 0.499999 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 3.8653428654543602,
"density_atomic": 0.03406243534811583,
"volume": 117.4314155497182,
"volume_molar": 17.679712852161394,
"formula_full": "Na3 Tl1",
"formula_reduced": "Na3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0053175,
"spacegroup": 139
}
]
}