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=-formula_anonymous&page=681",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=679",
"results": [
{
"id": "jvasp-102833",
"created_at": "2022-09-04T14:36:52.344253Z",
"updated_at": "2022-09-04T14:36:52.344281Z",
"structure_string": "V2 Hg2 O6\n1.0\n3.517708 0.074840 -0.755159\n-0.188571 4.793857 -0.237963\n-0.068535 0.008508 8.745578\nV Hg O\n2 2 6\ndirect\n0.672039 0.376755 0.864217 V\n0.327960 0.623246 0.135783 V\n0.137888 0.182777 0.421045 Hg\n0.862112 0.817224 0.578956 Hg\n0.587087 0.481232 0.671824 O\n0.412913 0.518769 0.328177 O\n0.656771 0.036169 0.846395 O\n0.343229 0.963832 0.153605 O\n0.200943 0.478292 0.909964 O\n0.799056 0.521709 0.090037 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"Hg",
"O"
],
"chemical_system": "Hg-O-V",
"density": 6.750326245540188,
"density_atomic": 0.06785873794921438,
"volume": 147.36495700058586,
"volume_molar": 8.874525141488755,
"formula_full": "V2 Hg2 O6",
"formula_reduced": "VHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7533978599999998,
"spacegroup": 2
},
{
"id": "jvasp-102420",
"created_at": "2022-09-04T14:36:42.415627Z",
"updated_at": "2022-09-04T14:36:42.415650Z",
"structure_string": "Rb2 Tl2 Cl6\n1.0\n6.781208 -0.000000 3.915132\n2.260403 6.393384 3.915132\n-0.000000 -0.000000 7.830264\nRb Tl Cl\n2 2 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.762982 0.237018 0.237018 Cl\n0.237018 0.237018 0.762981 Cl\n0.237018 0.762982 0.762982 Cl\n0.237018 0.762982 0.237018 Cl\n0.762982 0.237018 0.762981 Cl\n0.762982 0.762982 0.237018 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"Cl"
],
"chemical_system": "Cl-Rb-Tl",
"density": 3.876058963921399,
"density_atomic": 0.029456811780998238,
"volume": 339.4800521640539,
"volume_molar": 20.443966593440752,
"formula_full": "Rb2 Tl2 Cl6",
"formula_reduced": "RbTlCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106891",
"created_at": "2022-09-04T14:36:48.875460Z",
"updated_at": "2022-09-04T14:36:48.875485Z",
"structure_string": "Sc2 Fe2 O6\n1.0\n3.289510 0.000000 0.000000\n-1.644755 2.848799 0.000000\n-0.000000 -0.000000 11.552156\nSc Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333332 0.666667 0.750000 Fe\n0.666666 0.333333 0.250000 Fe\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.333332 0.666667 0.584830 O\n0.333332 0.666667 0.915171 O\n0.666666 0.333333 0.415170 O\n0.666666 0.333333 0.084830 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sc",
"density": 4.564816965586263,
"density_atomic": 0.09237276335323999,
"volume": 108.25701902799304,
"volume_molar": 6.519390068445725,
"formula_full": "Sc2 Fe2 O6",
"formula_reduced": "ScFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.31395625,
"spacegroup": 194
},
{
"id": "jvasp-104730",
"created_at": "2022-09-04T14:36:49.028319Z",
"updated_at": "2022-09-04T14:36:49.028334Z",
"structure_string": "La1 Be1 Al3\n1.0\n4.005469 -0.016942 -4.682515\n-0.559203 3.966278 -4.682515\n0.014784 0.016942 6.161940\nLa Be Al\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500001 Be\n0.750000 0.250000 0.500001 Al\n0.620016 0.620016 0.000002 Al\n0.379985 0.379985 0.000001 Al\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Be",
"Al"
],
"chemical_system": "Al-Be-La",
"density": 3.859277904367848,
"density_atomic": 0.050775330952332345,
"volume": 98.47301644757329,
"volume_molar": 11.86036732218163,
"formula_full": "La1 Be1 Al3",
"formula_reduced": "LaBeAl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8039579,
"spacegroup": 119
},
{
"id": "jvasp-36487",
"created_at": "2022-09-04T14:36:52.016166Z",
"updated_at": "2022-09-04T14:36:52.016182Z",
"structure_string": "Ba3 As1 P1\n1.0\n6.030838 -0.000000 0.000000\n-0.000000 6.030838 -0.000000\n0.000000 -0.000000 6.030838\nBa As P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"P"
],
"chemical_system": "As-Ba-P",
"density": 3.9205066788843475,
"density_atomic": 0.022794864577079032,
"volume": 219.34765100678248,
"volume_molar": 26.418848594763997,
"formula_full": "Ba3 As1 P1",
"formula_reduced": "Ba3AsP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8214690320000002,
"spacegroup": 221
},
{
"id": "jvasp-45504",
"created_at": "2022-09-04T14:36:51.924747Z",
"updated_at": "2022-09-04T14:36:51.924761Z",
"structure_string": "Ca4 Ti4 O12\n1.0\n5.387806 -0.000000 0.000000\n-0.000000 5.490889 0.000000\n0.000000 0.000000 7.667134\nCa Ti O\n4 4 12\ndirect\n0.990649 0.044368 0.250000 Ca\n0.490648 0.455632 0.750000 Ca\n0.509352 0.544368 0.250000 Ca\n0.009352 0.955632 0.750000 Ca\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.207898 0.208742 0.958271 O\n0.707898 0.291258 0.041728 O\n0.292103 0.708742 0.958271 O\n0.792103 0.791258 0.041728 O\n0.207898 0.208742 0.541728 O\n0.420430 0.979893 0.250000 O\n0.079570 0.479893 0.250000 O\n0.579570 0.020107 0.750000 O\n0.292103 0.708742 0.541728 O\n0.920431 0.520107 0.750000 O\n0.707898 0.291258 0.458272 O\n0.792103 0.791258 0.458272 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.9808783824147373,
"density_atomic": 0.08817436243823654,
"volume": 226.82330154651692,
"volume_molar": 6.829809247805252,
"formula_full": "Ca4 Ti4 O12",
"formula_reduced": "CaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5787038506666664,
"spacegroup": 62
},
{
"id": "jvasp-8470",
"created_at": "2022-09-04T14:37:02.626521Z",
"updated_at": "2022-09-04T14:37:02.626539Z",
"structure_string": "Ca3 Pb1 N1\n1.0\n5.880387 -0.000000 -0.000000\n-0.000000 5.880387 -0.000000\n0.000000 0.000000 5.880387\nCa Pb N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"N"
],
"chemical_system": "Ca-N-Pb",
"density": 2.78834597241756,
"density_atomic": 0.02458964607804593,
"volume": 203.3376155203831,
"volume_molar": 24.490554849330156,
"formula_full": "Ca3 Pb1 N1",
"formula_reduced": "Ca3PbN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.022607066,
"spacegroup": 221
},
{
"id": "jvasp-8511",
"created_at": "2022-09-04T14:36:53.063041Z",
"updated_at": "2022-09-04T14:36:53.063064Z",
"structure_string": "Ta1 Ru3 C1\n1.0\n4.053021 -0.000000 -0.000000\n0.000000 4.053021 -0.000000\n0.000000 0.000000 4.053021\nTa Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ta",
"Ru",
"C"
],
"chemical_system": "C-Ru-Ta",
"density": 12.374902747543874,
"density_atomic": 0.07509887694095187,
"volume": 66.57889177132914,
"volume_molar": 8.018949157834996,
"formula_full": "Ta1 Ru3 C1",
"formula_reduced": "TaRu3C",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.57824014,
"spacegroup": 221
},
{
"id": "jvasp-54286",
"created_at": "2022-09-04T14:36:43.770065Z",
"updated_at": "2022-09-04T14:36:43.770081Z",
"structure_string": "Mg4 Si4 O12\n1.0\n4.771624 -0.435988 1.009782\n1.040501 6.184661 0.818788\n-0.650531 0.331725 6.282504\nMg Si O\n4 4 12\ndirect\n0.749999 0.887583 0.112416 Mg\n0.750000 0.299290 0.700708 Mg\n0.250000 0.112415 0.887583 Mg\n0.250000 0.700708 0.299291 Mg\n0.472322 0.671474 0.830319 Si\n0.527677 0.328525 0.169681 Si\n0.027678 0.169681 0.328525 Si\n0.972322 0.830318 0.671474 Si\n0.803184 0.600423 0.711309 O\n0.422166 0.384342 0.895442 O\n0.577834 0.615657 0.104558 O\n0.922165 0.895441 0.384343 O\n0.196815 0.399576 0.288690 O\n0.696815 0.288690 0.399576 O\n0.868554 0.200589 0.062167 O\n0.077835 0.104557 0.615657 O\n0.303185 0.711309 0.600424 O\n0.368554 0.062167 0.200589 O\n0.131446 0.799410 0.937833 O\n0.631445 0.937832 0.799410 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.48016022865973,
"density_atomic": 0.10438433195959965,
"volume": 191.5996359275518,
"volume_molar": 5.76919988560235,
"formula_full": "Mg4 Si4 O12",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.45917563,
"spacegroup": 15
},
{
"id": "jvasp-102325",
"created_at": "2022-09-04T14:36:48.611408Z",
"updated_at": "2022-09-04T14:36:48.611417Z",
"structure_string": "Sm1 Ga3 Pt1\n1.0\n3.917647 -0.028815 -4.754581\n-0.526744 3.882180 -4.754581\n0.025357 0.028815 6.160629\nSm Ga Pt\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.613178 0.613176 0.000000 Ga\n0.386824 0.386823 0.000000 Ga\n0.750001 0.250000 0.500001 Ga\n0.250001 0.750000 0.500002 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Sm",
"density": 9.726635477915332,
"density_atomic": 0.052807243960616077,
"volume": 94.68397941254095,
"volume_molar": 11.404005034785273,
"formula_full": "Sm1 Ga3 Pt1",
"formula_reduced": "SmGa3Pt",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.45896345,
"spacegroup": 119
},
{
"id": "jvasp-104641",
"created_at": "2022-09-04T14:36:48.203267Z",
"updated_at": "2022-09-04T14:36:48.203288Z",
"structure_string": "K2 Ca2 I6\n1.0\n7.844452 0.020973 0.000000\n-6.538577 4.333921 0.000000\n-0.000000 -0.000000 11.612710\nK Ca I\n2 2 6\ndirect\n0.250858 0.749141 0.250000 K\n0.749140 0.250858 0.750000 K\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.638007 0.361992 0.057358 I\n0.361992 0.638007 0.942642 I\n0.361992 0.638007 0.557358 I\n0.638007 0.361992 0.442642 I\n0.927232 0.072766 0.250000 I\n0.072766 0.927233 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ca",
"I"
],
"chemical_system": "Ca-I-K",
"density": 3.8530738051865105,
"density_atomic": 0.0252275190300743,
"volume": 396.3925262757218,
"volume_molar": 23.871315894443953,
"formula_full": "K2 Ca2 I6",
"formula_reduced": "KCaI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-100294",
"created_at": "2022-09-04T14:36:53.152816Z",
"updated_at": "2022-09-04T14:36:53.152841Z",
"structure_string": "Dy2 B6 Mo2\n1.0\n3.161115 0.000000 0.000000\n0.000000 5.313796 1.141834\n0.000000 -0.014687 6.880463\nDy B Mo\n2 6 2\ndirect\n0.250000 0.326312 0.708495 Dy\n0.749999 0.673688 0.291504 Dy\n0.250000 0.919819 0.524675 B\n0.749999 0.080182 0.475324 B\n0.250000 0.912523 0.004141 B\n0.749999 0.087477 0.995858 B\n0.250000 0.583648 0.006330 B\n0.749999 0.416352 0.993669 B\n0.250000 0.188430 0.220816 Mo\n0.749999 0.811570 0.779183 Mo\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"B",
"Mo"
],
"chemical_system": "B-Dy-Mo",
"density": 8.354500862237265,
"density_atomic": 0.08648444542690611,
"volume": 115.62772878565406,
"volume_molar": 6.963264585063126,
"formula_full": "Dy2 B6 Mo2",
"formula_reduced": "DyB3Mo",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.31348603,
"spacegroup": 11
}
]
}