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=updated_at&page=3852",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=3850",
"results": [
{
"id": "jvasp-27401",
"created_at": "2022-09-04T14:38:29.639653Z",
"updated_at": "2022-09-04T14:38:29.639680Z",
"structure_string": "Nb1 Sb1 Ru1\n1.0\n3.799729 -0.000000 2.193775\n1.266576 3.582419 2.193775\n-0.000000 -0.000000 4.387550\nNb Sb Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500000 0.499999 Sb\n0.250000 0.250000 0.249999 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nb",
"Sb",
"Ru"
],
"chemical_system": "Nb-Ru-Sb",
"density": 8.77854704898418,
"density_atomic": 0.050230809020678495,
"volume": 59.72430184759698,
"volume_molar": 11.98893841729857,
"formula_full": "Nb1 Sb1 Ru1",
"formula_reduced": "NbSbRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3098220000000005,
"spacegroup": 216
},
{
"id": "jvasp-26082",
"created_at": "2022-09-04T14:38:29.641009Z",
"updated_at": "2022-09-04T14:38:29.641040Z",
"structure_string": "Yb2 Ni12 P7\n1.0\n4.534292 -7.853625 0.000000\n4.534292 7.853625 -0.000000\n-0.000000 -0.000000 3.675608\nYb Ni P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Yb\n0.666667 0.333333 0.500000 Yb\n0.877343 0.780776 0.500000 Ni\n0.219224 0.096567 0.500000 Ni\n0.903433 0.122657 0.500000 Ni\n0.380107 0.432446 0.500000 Ni\n0.567553 0.947661 0.500000 Ni\n0.052339 0.619892 0.500000 Ni\n0.152931 0.275726 0.000000 Ni\n0.724274 0.877204 0.000000 Ni\n0.626384 0.564224 0.000000 Ni\n0.435776 0.062160 0.000000 Ni\n0.937840 0.373615 0.000000 Ni\n0.122796 0.847069 0.000000 Ni\n0.295808 0.890748 0.500000 P\n0.704729 0.113173 0.000000 P\n0.408443 0.295271 0.000000 P\n0.886827 0.591556 0.000000 P\n0.594941 0.704192 0.500000 P\n0.109252 0.405059 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Yb",
"Ni",
"P"
],
"chemical_system": "Ni-P-Yb",
"density": 8.038246223714658,
"density_atomic": 0.0802195951865192,
"volume": 261.7814257373493,
"volume_molar": 7.507069495922878,
"formula_full": "Yb2 Ni12 P7",
"formula_reduced": "Yb2Ni12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 1.8789061285714288,
"spacegroup": 174
},
{
"id": "jvasp-26851",
"created_at": "2022-09-04T14:38:29.641877Z",
"updated_at": "2022-09-04T14:38:29.641900Z",
"structure_string": "Sc7 B1 Cl12\n1.0\n7.704333 -0.010425 -2.409751\n-3.275772 6.973248 -2.409750\n-0.006631 -0.010426 8.072398\nSc B Cl\n7 1 12\ndirect\n0.500000 0.500000 0.500000 Sc\n0.314858 0.030718 0.104614 Sc\n0.104614 0.314858 0.030718 Sc\n0.030718 0.104614 0.314858 Sc\n0.685142 0.969282 0.895386 Sc\n0.895386 0.685141 0.969282 Sc\n0.969282 0.895385 0.685142 Sc\n0.000000 0.000000 0.000000 B\n0.772408 0.313812 0.923408 Cl\n0.614166 0.844453 0.534668 Cl\n0.686187 0.076591 0.227592 Cl\n0.227592 0.686188 0.076592 Cl\n0.076591 0.227591 0.686188 Cl\n0.465332 0.385833 0.155546 Cl\n0.155547 0.465332 0.385834 Cl\n0.385833 0.155546 0.465332 Cl\n0.534668 0.614166 0.844454 Cl\n0.844453 0.534667 0.614167 Cl\n0.313812 0.923408 0.772409 Cl\n0.923408 0.772408 0.313812 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"B",
"Cl"
],
"chemical_system": "B-Cl-Sc",
"density": 2.87968676328105,
"density_atomic": 0.04618722230392811,
"volume": 433.0201948147691,
"volume_molar": 13.03854282548581,
"formula_full": "Sc7 B1 Cl12",
"formula_reduced": "Sc7BCl12",
"formula_anonymous": "AB7C12",
"energy_above_hull": 1.4130079071666668,
"spacegroup": 148
},
{
"id": "jvasp-118840",
"created_at": "2022-09-04T14:38:29.646196Z",
"updated_at": "2022-09-04T14:38:29.646221Z",
"structure_string": "Li1 Ca2 As1\n1.0\n0.000000 3.627867 3.627867\n3.627867 0.000000 3.627867\n3.627867 3.627867 -0.000000\nLi Ca As\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"As"
],
"chemical_system": "As-Ca-Li",
"density": 2.8172793074987212,
"density_atomic": 0.04188667858099189,
"volume": 95.49575510661745,
"volume_molar": 14.377221980863478,
"formula_full": "Li1 Ca2 As1",
"formula_reduced": "LiCa2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3829506475000001,
"spacegroup": 225
},
{
"id": "jvasp-21679",
"created_at": "2022-09-04T14:38:29.651922Z",
"updated_at": "2022-09-04T14:38:29.651939Z",
"structure_string": "Ca3 Ga4 Ni4\n1.0\n6.022727 0.000000 -2.129356\n-3.011364 5.215835 -2.129356\n0.000000 0.000000 6.388068\nCa Ga Ni\n3 4 4\ndirect\n0.000001 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Ca\n0.500001 0.500000 -0.000000 Ca\n0.000000 0.000000 0.610693 Ga\n0.610693 -0.000000 -0.000000 Ga\n0.389308 0.389307 0.389307 Ga\n0.000001 0.610693 0.000000 Ga\n0.000000 0.247258 0.000000 Ni\n0.247258 -0.000000 -0.000000 Ni\n0.000000 0.000000 0.247258 Ni\n0.752743 0.752743 0.752742 Ni\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Ni"
],
"chemical_system": "Ca-Ga-Ni",
"density": 5.24545327290196,
"density_atomic": 0.0548158474423524,
"volume": 200.67189532312264,
"volume_molar": 10.98613091101664,
"formula_full": "Ca3 Ga4 Ni4",
"formula_reduced": "Ca3(GaNi)4",
"formula_anonymous": "A3B4C4",
"energy_above_hull": 0.2196886563636363,
"spacegroup": 217
},
{
"id": "jvasp-26829",
"created_at": "2022-09-04T14:38:29.654514Z",
"updated_at": "2022-09-04T14:38:29.654539Z",
"structure_string": "Na1 Li3 H8 N4\n1.0\n4.625051 -0.000000 -1.871027\n-0.756908 4.562696 -1.871028\n0.035699 0.042110 6.740164\nNa Li H N\n1 3 8 4\ndirect\n0.250000 0.750001 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.012104 0.512104 0.024209 Li\n0.487896 0.987897 0.975790 Li\n0.538919 0.435969 0.224306 H\n0.211662 0.461081 0.775693 H\n0.564032 0.314614 0.775693 H\n0.685387 0.788339 0.224306 H\n0.413262 0.263205 0.339260 H\n0.923944 0.586738 0.660739 H\n0.736795 0.074002 0.660739 H\n0.925998 0.076056 0.339259 H\n0.346024 0.333842 0.204963 N\n0.128878 0.653976 0.795036 N\n0.666158 0.141061 0.795036 N\n0.858939 0.871123 0.204963 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Li",
"H",
"N"
],
"chemical_system": "H-Li-N-Na",
"density": 1.2532994823340435,
"density_atomic": 0.11191591936833215,
"volume": 142.9644691327745,
"volume_molar": 5.380950979976519,
"formula_full": "Na1 Li3 H8 N4",
"formula_reduced": "NaLi3(H2N)4",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 3.288481375,
"spacegroup": 82
},
{
"id": "jvasp-115828",
"created_at": "2022-09-04T14:38:29.656410Z",
"updated_at": "2022-09-04T14:38:29.656436Z",
"structure_string": "Ti1 Cd1 F1\n1.0\n2.893143 -0.000000 -0.000000\n-0.000000 2.893143 0.000000\n0.000000 0.000000 7.096949\nTi Cd F\n1 1 1\ndirect\n0.000000 0.000000 0.842427 Ti\n0.000000 0.000000 0.444405 Cd\n0.000000 0.000000 0.101360 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"F"
],
"chemical_system": "Cd-F-Ti",
"density": 5.011419323828262,
"density_atomic": 0.05050213867617442,
"volume": 59.40342485763521,
"volume_molar": 11.92452620395874,
"formula_full": "Ti1 Cd1 F1",
"formula_reduced": "TiCdF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3077861342592591,
"spacegroup": 99
},
{
"id": "jvasp-20341",
"created_at": "2022-09-04T14:38:29.659090Z",
"updated_at": "2022-09-04T14:38:29.659121Z",
"structure_string": "Mg2 Be26\n1.0\n6.179293 -0.000000 3.567616\n2.059764 5.825894 3.567616\n-0.000000 -0.000000 7.135234\nMg Be\n2 26\ndirect\n0.749999 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.934494 0.289876 0.710124 Be\n0.710123 0.065505 0.934495 Be\n0.065505 0.710123 0.289877 Be\n0.210123 0.434495 0.565505 Be\n0.434495 0.565505 0.210124 Be\n0.565505 0.210123 0.434495 Be\n0.210123 0.565505 0.789877 Be\n0.210123 0.789876 0.434496 Be\n0.789876 0.565505 0.434496 Be\n0.289876 0.710123 0.934495 Be\n0.289876 0.065505 0.710123 Be\n0.065505 0.934494 0.710124 Be\n0.000000 0.000000 0.000000 Be\n0.710123 0.289876 0.065506 Be\n0.934494 0.065505 0.289877 Be\n0.065505 0.289876 0.934495 Be\n0.789876 0.434495 0.210124 Be\n0.434494 0.789876 0.565506 Be\n0.434495 0.210123 0.789877 Be\n0.565504 0.789876 0.210125 Be\n0.789876 0.210123 0.565506 Be\n0.565504 0.434495 0.789877 Be\n0.289876 0.934494 0.065506 Be\n0.499999 0.500000 0.500001 Be\n0.934494 0.710123 0.065506 Be\n0.710123 0.934494 0.289878 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Be"
],
"chemical_system": "Be-Mg",
"density": 1.8289991066952327,
"density_atomic": 0.1090055082100553,
"volume": 256.8677533803482,
"volume_molar": 5.524620598433652,
"formula_full": "Mg2 Be26",
"formula_reduced": "MgBe13",
"formula_anonymous": "AB13",
"energy_above_hull": 2.033284167857143,
"spacegroup": 226
},
{
"id": "jvasp-115829",
"created_at": "2022-09-04T14:38:29.660854Z",
"updated_at": "2022-09-04T14:38:29.660880Z",
"structure_string": "Ti1 Cd1 F3\n1.0\n2.493707 -3.030708 0.567700\n2.493707 3.030708 0.567700\n0.513371 0.000000 5.230099\nTi Cd F\n1 1 3\ndirect\n0.721246 0.721246 0.217821 Ti\n0.210673 0.210673 0.725447 Cd\n0.188873 0.756651 0.292165 F\n0.612550 0.612550 0.912566 F\n0.756651 0.188873 0.292165 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"F"
],
"chemical_system": "Cd-F-Ti",
"density": 4.668104383499124,
"density_atomic": 0.0646927012798168,
"volume": 77.28847151355433,
"volume_molar": 9.308841091597488,
"formula_full": "Ti1 Cd1 F3",
"formula_reduced": "TiCdF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0280878083333332,
"spacegroup": 8
},
{
"id": "jvasp-25900",
"created_at": "2022-09-04T14:38:29.661430Z",
"updated_at": "2022-09-04T14:38:29.661445Z",
"structure_string": "Na2 Zr1 Cu2 S4\n1.0\n3.600924 -0.000000 -0.980848\n-0.707711 6.517183 -2.598173\n0.003214 0.002385 7.112143\nNa Zr Cu S\n2 1 2 4\ndirect\n0.137208 0.559610 0.274417 Na\n0.862790 0.440389 0.725582 Na\n0.000000 0.000000 0.000000 Zr\n0.679287 0.989006 0.358575 Cu\n0.320711 0.010992 0.641424 Cu\n0.204422 0.205949 0.408846 S\n0.795576 0.794050 0.591153 S\n0.509841 0.749968 0.019682 S\n0.490157 0.250031 0.980317 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Cu",
"S"
],
"chemical_system": "Cu-Na-S-Zr",
"density": 3.904451600751954,
"density_atomic": 0.053907891612591866,
"volume": 166.9514375497811,
"volume_molar": 11.171167300101459,
"formula_full": "Na2 Zr1 Cu2 S4",
"formula_reduced": "Na2Zr(CuS2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.1391037111111113,
"spacegroup": 12
},
{
"id": "jvasp-56612",
"created_at": "2022-09-04T14:38:29.663530Z",
"updated_at": "2022-09-04T14:38:29.663539Z",
"structure_string": "U2 Mn1 N3\n1.0\n3.197962 -0.000077 -0.833432\n-0.275710 3.587853 -1.057757\n0.002853 -0.024577 6.563796\nU Mn N\n2 1 3\ndirect\n0.356180 0.356162 0.712359 U\n0.643818 0.643835 0.287640 U\n0.000000 0.000000 0.000000 Mn\n0.168077 0.168075 0.336154 N\n0.831921 0.831923 0.663845 N\n-0.000000 0.500000 -0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Mn",
"N"
],
"chemical_system": "Mn-N-U",
"density": 12.647848010044658,
"density_atomic": 0.07975392558624075,
"volume": 75.23140655329858,
"volume_molar": 7.550901997279174,
"formula_full": "U2 Mn1 N3",
"formula_reduced": "U2MnN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.627144831896552,
"spacegroup": 71
},
{
"id": "jvasp-16247",
"created_at": "2022-09-04T14:38:29.666686Z",
"updated_at": "2022-09-04T14:38:29.666702Z",
"structure_string": "Sm2 Ti2 Ge2\n1.0\n3.955162 0.000000 -1.006453\n-0.256108 3.946862 -1.006453\n0.024716 0.026372 8.371860\nSm Ti Ge\n2 2 2\ndirect\n0.674578 0.674577 0.349157 Sm\n0.325422 0.325422 0.650843 Sm\n-0.000000 0.500000 0.000000 Ti\n0.500000 -0.000000 0.000000 Ti\n0.119274 0.119274 0.238548 Ge\n0.880726 0.880725 0.761452 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Ti",
"Ge"
],
"chemical_system": "Ge-Sm-Ti",
"density": 6.872264474847794,
"density_atomic": 0.04583697241278885,
"volume": 130.89869780155803,
"volume_molar": 13.13817305769475,
"formula_full": "Sm2 Ti2 Ge2",
"formula_reduced": "SmTiGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6085477194444444,
"spacegroup": 139
}
]
}