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{
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"results": [
{
"id": "jvasp-103320",
"created_at": "2022-09-04T14:36:38.322410Z",
"updated_at": "2022-09-04T14:36:38.322431Z",
"structure_string": "Ti1 Al1 Ir2\n1.0\n3.770483 -0.000000 2.176889\n1.256827 3.554846 2.176889\n-0.000000 -0.000000 4.353779\nTi Al Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500001 0.500000 Al\n0.750000 0.750001 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
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{
"id": "jvasp-112308",
"created_at": "2022-09-04T14:38:26.469303Z",
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"structure_string": "Ti6 Al16 Ir7\n1.0\n7.439956 -0.000000 4.295461\n2.479985 7.014458 4.295461\n0.000000 0.000000 8.590922\nTi Al Ir\n6 16 7\ndirect\n0.674656 0.674656 0.325344 Ti\n0.325345 0.674656 0.325344 Ti\n0.674656 0.325345 0.325344 Ti\n0.325345 0.325345 0.674655 Ti\n0.674656 0.325345 0.674655 Ti\n0.325345 0.674656 0.674655 Ti\n0.342688 0.342688 0.342687 Al\n0.971937 0.342688 0.342687 Al\n0.342688 0.971937 0.342687 Al\n0.342688 0.342688 0.971936 Al\n0.657313 0.657312 0.657312 Al\n0.028064 0.657312 0.657312 Al\n0.657313 0.028063 0.657312 Al\n0.657313 0.657312 0.028063 Al\n0.638811 0.120397 0.120397 Al\n0.120397 0.638810 0.120397 Al\n0.120397 0.120397 0.638810 Al\n0.879604 0.879603 0.879602 Al\n0.361190 0.879603 0.879602 Al\n0.879604 0.361190 0.879602 Al\n0.879604 0.879603 0.361189 Al\n0.120397 0.120397 0.120397 Al\n0.000000 0.500000 -0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500001 0.500000 -0.000000 Ir\n0.500000 0.000000 -0.000000 Ir\n",
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"volume": 448.3366704649453,
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{
"id": "jvasp-119069",
"created_at": "2022-09-04T14:38:50.591237Z",
"updated_at": "2022-09-04T14:38:50.591269Z",
"structure_string": "Tm4 Al18 Ir6\n1.0\n7.515828 0.007054 0.000000\n-3.716026 6.532907 0.000000\n0.000000 0.000000 9.449412\nTm Al Ir\n4 18 6\ndirect\n0.995702 0.671777 0.250000 Tm\n0.004298 0.328223 0.750000 Tm\n0.671777 0.995702 0.250000 Tm\n0.328223 0.004298 0.750000 Tm\n0.450892 0.660739 0.750000 Al\n0.549108 0.339261 0.250000 Al\n0.660739 0.450892 0.750000 Al\n0.339261 0.549108 0.250000 Al\n0.333047 0.333047 0.943939 Al\n0.666952 0.666952 0.056061 Al\n0.666952 0.666952 0.443939 Al\n0.333047 0.333047 0.556061 Al\n0.335303 0.000717 0.075243 Al\n0.664696 0.999283 0.575243 Al\n0.000717 0.335304 0.424757 Al\n0.335303 0.000717 0.424757 Al\n0.999283 0.664696 0.575243 Al\n0.999283 0.664696 0.924757 Al\n0.000717 0.335304 0.075243 Al\n0.871217 0.871217 0.750000 Al\n0.128783 0.128783 0.250000 Al\n0.664696 0.999283 0.924757 Al\n0.000000 0.000000 0.000000 Ir\n0.672089 0.327910 -0.000000 Ir\n0.327910 0.672090 -0.000000 Ir\n0.327910 0.672090 0.500000 Ir\n0.672089 0.327910 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Al",
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],
"chemical_system": "Al-Ir-Tm",
"density": 8.279901100222709,
"density_atomic": 0.060316779549200006,
"volume": 464.2157656504287,
"volume_molar": 9.984188156278766,
"formula_full": "Tm4 Al18 Ir6",
"formula_reduced": "Tm2(Al3Ir)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 63
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{
"id": "jvasp-89911",
"created_at": "2022-09-04T14:35:45.877809Z",
"updated_at": "2022-09-04T14:35:45.877834Z",
"structure_string": "U3 Al3 Ir3\n1.0\n0.000000 0.000000 -4.118374\n-3.458031 -5.989485 0.000000\n-3.458172 5.989567 0.000000\nU Al Ir\n3 3 3\ndirect\n0.499999 0.577567 -0.000000 U\n0.499999 0.422408 0.422412 U\n0.499999 -0.000005 0.577587 U\n0.000000 0.236043 -0.000000 Al\n0.000000 0.763925 0.763953 Al\n0.000000 -0.000029 0.236046 Al\n0.000000 0.333330 0.666658 Ir\n0.000000 0.666671 0.333341 Ir\n0.499999 0.999990 -0.000001 Ir\n",
"nsites": 9,
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"elements": [
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"Al",
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],
"chemical_system": "Al-Ir-U",
"density": 13.35108856280175,
"density_atomic": 0.052754139038495705,
"volume": 170.60272736955346,
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"formula_full": "U3 Al3 Ir3",
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},
{
"id": "jvasp-62432",
"created_at": "2022-09-04T14:35:56.590264Z",
"updated_at": "2022-09-04T14:35:56.590283Z",
"structure_string": "U3 Al3 Ir3\n1.0\n3.458080 -5.989568 0.000000\n3.458080 5.989568 0.000000\n0.000000 0.000000 4.117404\nU Al Ir\n3 3 3\ndirect\n0.577602 0.000002 0.500000 U\n0.000002 0.577602 0.500000 U\n0.422399 0.422399 0.500000 U\n0.236062 0.000001 0.000000 Al\n0.000001 0.236062 0.000000 Al\n0.763935 0.763935 0.000000 Al\n0.333334 0.666669 0.000000 Ir\n0.666669 0.333334 0.000000 Ir\n0.999996 0.999996 0.500000 Ir\n",
"nsites": 9,
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"elements": [
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],
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"density": 13.354223266159462,
"density_atomic": 0.05276652518783471,
"volume": 170.562680941419,
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"formula_full": "U3 Al3 Ir3",
"formula_reduced": "UAlIr",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-41982",
"created_at": "2022-09-04T14:37:31.953871Z",
"updated_at": "2022-09-04T14:37:31.953900Z",
"structure_string": "Al1 Zn1 Ir2\n1.0\n0.000000 3.028780 3.028780\n3.028780 0.000000 3.028780\n3.028780 3.028780 -0.000000\nAl Zn Ir\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Al\n0.750001 0.750001 0.750001 Zn\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 Ir\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
"chemical_system": "Al-Ir-Zn",
"density": 14.24867604237965,
"density_atomic": 0.07198248064366981,
"volume": 55.56907686748029,
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"formula_full": "Al1 Zn1 Ir2",
"formula_reduced": "AlZnIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.18501135,
"spacegroup": 225
},
{
"id": "jvasp-113046",
"created_at": "2022-09-04T14:38:46.073564Z",
"updated_at": "2022-09-04T14:38:46.073598Z",
"structure_string": "Zr4 Al4 Ir4\n1.0\n5.350003 -0.001094 0.000000\n-2.631311 4.658190 0.000000\n-0.000000 0.000000 8.236969\nZr Al Ir\n4 4 4\ndirect\n0.334664 0.665336 0.208360 Zr\n0.669997 0.330003 0.322843 Zr\n0.669997 0.330003 0.677157 Zr\n0.334664 0.665336 0.791640 Zr\n0.994350 0.005651 0.253501 Al\n0.994350 0.005651 0.746499 Al\n0.829234 0.653757 -0.000000 Al\n0.346243 0.170766 -0.000000 Al\n0.829678 0.170323 -0.000000 Ir\n0.168585 0.337710 0.500000 Ir\n0.662290 0.831415 0.500000 Ir\n0.166338 0.833662 0.500000 Ir\n",
"nsites": 12,
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"elements": [
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"Al",
"Ir"
],
"chemical_system": "Al-Ir-Zr",
"density": 10.045552953467752,
"density_atomic": 0.058464569800463474,
"volume": 205.25251517210123,
"volume_molar": 10.30049614758691,
"formula_full": "Zr4 Al4 Ir4",
"formula_reduced": "ZrAlIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8596461333333334,
"spacegroup": 38
},
{
"id": "jvasp-5461",
"created_at": "2022-09-04T14:38:10.624996Z",
"updated_at": "2022-09-04T14:38:10.625013Z",
"structure_string": "Al2 Sb2 I12\n1.0\n6.896856 0.057715 2.377134\n2.925097 9.655246 1.807437\n0.096631 -0.023674 10.248752\nAl Sb I\n2 2 12\ndirect\n0.374415 0.795783 0.795782 Al\n0.625585 0.204218 0.204217 Al\n-0.000000 0.200494 0.799506 Sb\n0.000000 0.799507 0.200494 Sb\n0.066792 0.783285 0.454439 I\n0.933209 0.545561 0.216715 I\n0.933209 0.216715 0.545561 I\n0.066791 0.454439 0.783285 I\n0.533809 0.971638 0.290618 I\n0.466192 0.709382 0.028362 I\n0.466192 0.028362 0.709382 I\n0.533808 0.290618 0.971638 I\n0.018591 0.145055 0.145055 I\n0.981410 0.854945 0.854944 I\n0.442079 0.380140 0.380140 I\n0.557922 0.619860 0.619859 I\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.453946933751461,
"density_atomic": 0.023575678172902726,
"volume": 678.6655248114977,
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"formula_full": "Al2 Sb2 I12",
"formula_reduced": "AlSbI6",
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},
{
"id": "jvasp-5566",
"created_at": "2022-09-04T14:37:42.089808Z",
"updated_at": "2022-09-04T14:37:42.089817Z",
"structure_string": "Al12 Te12 I4\n1.0\n4.141898 0.000000 0.000000\n0.000000 11.357082 0.000000\n0.000000 0.000000 19.904395\nAl Te I\n12 12 4\ndirect\n0.750000 0.837851 0.632950 Al\n0.750000 0.949815 0.101410 Al\n0.250000 0.050185 0.898590 Al\n0.750000 0.449815 0.398590 Al\n0.750000 0.828961 0.992272 Al\n0.250000 0.171038 0.007728 Al\n0.250000 0.550185 0.601410 Al\n0.250000 0.671038 0.492272 Al\n0.250000 0.662149 0.132950 Al\n0.750000 0.337851 0.867050 Al\n0.250000 0.162149 0.367050 Al\n0.750000 0.328961 0.507728 Al\n0.250000 0.091302 0.135222 Te\n0.250000 0.673839 -0.001061 Te\n0.750000 0.326160 0.001061 Te\n0.250000 0.173839 0.501061 Te\n0.750000 0.826160 0.498939 Te\n0.750000 0.908698 0.864778 Te\n0.750000 0.271288 0.308039 Te\n0.750000 0.408698 0.635222 Te\n0.750000 0.771288 0.191961 Te\n0.250000 0.228712 0.808039 Te\n0.250000 0.728712 0.691961 Te\n0.250000 0.591302 0.364778 Te\n0.750000 0.551586 0.830730 I\n0.750000 0.051586 0.669271 I\n0.250000 0.948414 0.330730 I\n0.250000 0.448414 0.169271 I\n",
"nsites": 28,
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],
"chemical_system": "Al-I-Te",
"density": 4.190091262369966,
"density_atomic": 0.0299049367826359,
"volume": 936.3002571621556,
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"formula_full": "Al12 Te12 I4",
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"formula_anonymous": "AB3C3",
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"spacegroup": 62
},
{
"id": "jvasp-5653",
"created_at": "2022-09-04T14:38:07.341064Z",
"updated_at": "2022-09-04T14:38:07.341083Z",
"structure_string": "Al2 Te2 I14\n1.0\n0.000000 7.769011 -0.242164\n7.404501 0.000000 0.000000\n0.000000 -3.718428 -13.941911\nAl Te I\n2 2 14\ndirect\n0.694303 0.998598 0.349867 Al\n0.694303 0.001402 0.849867 Al\n0.002646 0.598360 0.492573 Te\n0.002646 0.401640 0.992573 Te\n0.469732 0.821527 0.224844 I\n0.469731 0.178473 0.724844 I\n0.651885 0.339871 0.327672 I\n0.651884 0.660128 0.827672 I\n0.666221 0.883161 0.513625 I\n0.666221 0.116839 0.013625 I\n0.008904 0.067768 0.827557 I\n0.950791 0.634565 0.134027 I\n0.217275 0.844849 0.612439 I\n0.217275 0.155151 0.112439 I\n0.276142 0.423031 0.432874 I\n0.950790 0.365434 0.634027 I\n0.276142 0.576969 0.932874 I\n0.008904 0.932232 0.327557 I\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Al-I-Te",
"density": 4.282996376835354,
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"volume": 808.6850151520374,
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"formula_full": "Al2 Te2 I14",
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},
{
"id": "jvasp-54370",
"created_at": "2022-09-04T14:37:36.238119Z",
"updated_at": "2022-09-04T14:37:36.238147Z",
"structure_string": "Al4 Tl4 I16\n1.0\n0.000000 8.051339 0.084771\n7.813240 0.000000 0.000000\n0.000000 -1.677126 -15.940949\nAl Tl I\n4 4 16\ndirect\n0.243368 0.141712 0.638682 Al\n0.756631 0.641712 0.861318 Al\n0.243368 0.358288 0.138682 Al\n0.756631 0.858288 0.361318 Al\n0.743466 0.506292 0.141539 Tl\n0.743466 0.993708 0.641539 Tl\n0.256533 0.493708 0.858462 Tl\n0.256534 0.006292 0.358461 Tl\n0.137907 0.655220 0.088966 I\n0.862093 0.155220 0.411034 I\n0.421434 0.233493 0.030170 I\n0.574101 0.893631 0.219881 I\n0.992163 0.855682 0.841350 I\n0.578565 0.733493 0.469830 I\n0.007837 0.144317 0.158650 I\n0.992163 0.644317 0.341350 I\n0.137907 0.844780 0.588966 I\n0.007837 0.355682 0.658650 I\n0.862092 0.344780 0.911034 I\n0.425899 0.106369 0.780119 I\n0.574100 0.606369 0.719881 I\n0.421434 0.266507 0.530170 I\n0.578565 0.766507 0.969830 I\n0.425899 0.393631 0.280119 I\n",
"nsites": 24,
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"elements": [
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"Tl",
"I"
],
"chemical_system": "Al-I-Tl",
"density": 4.9001713328512695,
"density_atomic": 0.023959576413898308,
"volume": 1001.6871577945863,
"volume_molar": 25.134587757180537,
"formula_full": "Al4 Tl4 I16",
"formula_reduced": "AlTlI4",
"formula_anonymous": "ABC4",
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"spacegroup": 14
},
{
"id": "jvasp-9794",
"created_at": "2022-09-04T14:37:19.203699Z",
"updated_at": "2022-09-04T14:37:19.203724Z",
"structure_string": "K4 Li2 Al2 P4\n1.0\n5.699446 0.000000 -2.187648\n-0.850306 5.651642 -2.215288\n0.004479 0.020183 8.529834\nK Li Al P\n4 2 2 4\ndirect\n0.824470 0.098666 0.648938 K\n0.175530 0.901334 0.351060 K\n0.675531 0.449727 0.351061 K\n0.324469 0.550272 0.648938 K\n0.250000 0.500000 -0.000000 Li\n0.750000 0.500000 -0.000000 Li\n0.250000 -0.000000 -0.000000 Al\n0.750001 -0.000000 -0.000000 Al\n0.910036 0.686999 0.820073 P\n0.410037 0.133074 0.820073 P\n0.589964 0.866926 0.179926 P\n0.089964 0.313000 0.179926 P\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Al-K-Li-P",
"density": 2.101345694948949,
"density_atomic": 0.043619838660969704,
"volume": 275.104181225168,
"volume_molar": 13.805967525020927,
"formula_full": "K4 Li2 Al2 P4",
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"formula_anonymous": "ABC2D2",
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"spacegroup": 72
}
]
}