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=-chemical_system&page=1184",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1182",
"results": [
{
"id": "jvasp-31193",
"created_at": "2022-09-04T14:38:35.794753Z",
"updated_at": "2022-09-04T14:38:35.794792Z",
"structure_string": "Mg2 I4 O12\n1.0\n0.000000 5.516847 0.001270\n5.034839 0.000000 0.000000\n0.000000 -0.051257 -9.492116\nMg I O\n2 4 12\ndirect\n0.765439 0.078713 0.754657 Mg\n0.234561 0.578713 0.245344 Mg\n0.733787 0.999511 0.099897 I\n0.266213 0.499511 0.900104 I\n0.261193 0.012630 0.567750 I\n0.738807 0.512630 0.432250 I\n0.982065 0.841063 0.622835 O\n0.017935 0.341063 0.377166 O\n0.088287 0.297279 0.775521 O\n0.150342 0.361848 0.066007 O\n0.340830 0.795665 0.419642 O\n0.551192 0.309096 0.894090 O\n0.448808 0.809096 0.105910 O\n0.659170 0.295665 0.580359 O\n0.849658 0.861848 0.933993 O\n0.911713 0.797279 0.224480 O\n0.465045 0.851195 0.696764 O\n0.534955 0.351195 0.303237 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"I",
"O"
],
"chemical_system": "I-Mg-O",
"density": 4.712374318522736,
"density_atomic": 0.06827056243028198,
"volume": 263.6568289353355,
"volume_molar": 8.820991867687953,
"formula_full": "Mg2 I4 O12",
"formula_reduced": "Mg(IO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.588358066666667,
"spacegroup": 4
},
{
"id": "jvasp-118563",
"created_at": "2022-09-04T14:38:51.139151Z",
"updated_at": "2022-09-04T14:38:51.139181Z",
"structure_string": "Mg1 I1 O2\n1.0\n2.990538 0.000000 0.000000\n0.000000 2.990538 0.000000\n0.000000 0.000000 6.324211\nMg I O\n1 1 2\ndirect\n0.500000 0.500000 0.558342 Mg\n0.000000 0.000000 0.102902 I\n0.000000 0.000000 0.482309 O\n0.500000 0.500000 0.866447 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"I",
"O"
],
"chemical_system": "I-Mg-O",
"density": 5.378846733043138,
"density_atomic": 0.07072207420341006,
"volume": 56.55942709620257,
"volume_molar": 8.515220781957249,
"formula_full": "Mg1 I1 O2",
"formula_reduced": "MgIO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6489580812500001,
"spacegroup": 99
},
{
"id": "jvasp-118562",
"created_at": "2022-09-04T14:38:51.843688Z",
"updated_at": "2022-09-04T14:38:51.843716Z",
"structure_string": "Mg1 I1 O1\n1.0\n3.790602 -0.000000 -0.000000\n0.000000 3.790602 -0.000000\n-0.000000 0.000000 6.658700\nMg I O\n1 1 1\ndirect\n0.000000 0.000000 0.720556 Mg\n0.000000 0.000000 0.301416 I\n0.000000 0.000000 -0.007876 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"I",
"O"
],
"chemical_system": "I-Mg-O",
"density": 2.9020345984967193,
"density_atomic": 0.03135562278827101,
"volume": 95.6766197966315,
"volume_molar": 19.205935728543913,
"formula_full": "Mg1 I1 O1",
"formula_reduced": "MgIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2818329416666668,
"spacegroup": 99
},
{
"id": "jvasp-118561",
"created_at": "2022-09-04T14:38:49.951238Z",
"updated_at": "2022-09-04T14:38:49.951262Z",
"structure_string": "Mg1 I1 O1\n1.0\n4.633373 -0.000000 0.000000\n-2.316687 4.012619 -0.000000\n-0.000000 -0.000000 4.361612\nMg I O\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Mg\n0.000000 0.000000 0.000000 I\n0.666666 0.333333 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"I",
"O"
],
"chemical_system": "I-Mg-O",
"density": 3.4240192020192386,
"density_atomic": 0.036995511553834196,
"volume": 81.09091816812793,
"volume_molar": 16.278030785536927,
"formula_full": "Mg1 I1 O1",
"formula_reduced": "MgIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2986396083333335,
"spacegroup": 187
},
{
"id": "jvasp-123931",
"created_at": "2022-09-04T14:38:55.607277Z",
"updated_at": "2022-09-04T14:38:55.607308Z",
"structure_string": "Mg1 I1\n1.0\n1.945876 -3.370361 0.000000\n1.945876 3.370361 -0.000000\n-0.000000 0.000000 4.390975\nMg I\n1 1\ndirect\n0.333334 0.666668 0.250000 Mg\n0.666668 0.333334 0.749999 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"I"
],
"chemical_system": "I-Mg",
"density": 4.359588980533816,
"density_atomic": 0.03472541568407373,
"volume": 57.59470291718549,
"volume_molar": 17.34217039988368,
"formula_full": "Mg1 I1",
"formula_reduced": "MgI",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-167",
"created_at": "2022-09-04T14:37:08.656182Z",
"updated_at": "2022-09-04T14:37:08.656206Z",
"structure_string": "Mg1 I2\n1.0\n2.084411 -3.610305 0.000000\n2.084411 3.610305 -0.000000\n0.000000 0.000000 6.849617\nMg I\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.755718 I\n0.666667 0.333333 0.244283 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"I"
],
"chemical_system": "I-Mg",
"density": 4.479693719450732,
"density_atomic": 0.029100317103353094,
"volume": 103.0916601130207,
"volume_molar": 20.694416279422935,
"formula_full": "Mg1 I2",
"formula_reduced": "MgI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-30472",
"created_at": "2022-09-04T14:38:05.581470Z",
"updated_at": "2022-09-04T14:38:05.581496Z",
"structure_string": "Lu2 I2 O2\n1.0\n3.843479 0.000000 -0.000000\n0.000000 3.843479 -0.000000\n-0.000000 -0.000000 9.192509\nLu I O\n2 2 2\ndirect\n0.750000 0.750000 0.385243 Lu\n0.250000 0.250000 0.614757 Lu\n0.250000 0.250000 0.179416 I\n0.750000 0.750000 0.820584 I\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"I",
"O"
],
"chemical_system": "I-Lu-O",
"density": 7.774039356216079,
"density_atomic": 0.04418431858171691,
"volume": 135.79478404545878,
"volume_molar": 13.629588399925916,
"formula_full": "Lu2 I2 O2",
"formula_reduced": "LuIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.045005175,
"spacegroup": 129
},
{
"id": "jvasp-33828",
"created_at": "2022-09-04T14:37:04.110496Z",
"updated_at": "2022-09-04T14:37:04.110513Z",
"structure_string": "Lu2 I6\n1.0\n10.455843 -0.000043 -0.000007\n-5.227959 9.055078 0.000004\n-0.000003 -0.000000 3.914239\nLu I\n2 6\ndirect\n0.333334 0.666665 0.749996 Lu\n0.666666 0.333334 0.250003 Lu\n0.208116 0.416234 0.250000 I\n0.583765 0.791882 0.250000 I\n0.208119 0.791881 0.250000 I\n0.791883 0.583764 0.749999 I\n0.416235 0.208117 0.750000 I\n0.791880 0.208118 0.749999 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"I"
],
"chemical_system": "I-Lu",
"density": 4.979739468695867,
"density_atomic": 0.021587006847319002,
"volume": 370.5932951512247,
"volume_molar": 27.897062351411257,
"formula_full": "Lu2 I6",
"formula_reduced": "LuI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-98018",
"created_at": "2022-09-04T14:36:22.049994Z",
"updated_at": "2022-09-04T14:36:22.050016Z",
"structure_string": "Li8 Zn4 I16\n1.0\n7.017376 -0.000000 0.000000\n0.000000 8.521139 0.000000\n0.000000 0.000000 14.748634\nLi Zn I\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.997930 0.750000 0.736990 Li\n0.497930 0.250000 0.763010 Li\n0.002070 0.250000 0.263010 Li\n0.502071 0.750000 0.236990 Li\n0.903926 0.750000 0.414508 Zn\n0.403926 0.250000 0.085492 Zn\n0.096074 0.250000 0.585491 Zn\n0.596074 0.750000 0.914508 Zn\n0.746488 0.996133 0.332745 I\n0.246488 0.003867 0.167255 I\n0.746488 0.503867 0.332745 I\n0.246488 0.496133 0.167255 I\n0.253512 0.003867 0.667255 I\n0.753513 0.996133 0.832745 I\n0.752143 0.750000 0.078774 I\n0.723925 0.250000 0.588255 I\n0.247857 0.250000 0.921226 I\n0.747858 0.750000 0.578774 I\n0.276075 0.750000 0.411745 I\n0.776076 0.250000 0.088255 I\n0.753513 0.503867 0.832745 I\n0.223925 0.750000 0.911745 I\n0.252143 0.250000 0.421226 I\n0.253512 0.496133 0.667255 I\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Zn",
"I"
],
"chemical_system": "I-Li-Zn",
"density": 4.420338968328657,
"density_atomic": 0.03174927671629596,
"volume": 881.9098542055427,
"volume_molar": 18.96780457020306,
"formula_full": "Li8 Zn4 I16",
"formula_reduced": "Li2ZnI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-99967",
"created_at": "2022-09-04T14:36:34.313063Z",
"updated_at": "2022-09-04T14:36:34.313092Z",
"structure_string": "Li1 U1 I6\n1.0\n7.200155 -0.135110 1.289092\n-3.808133 6.112169 1.289092\n-0.099541 -0.175400 7.239512\nLi U I\n1 1 6\ndirect\n0.853982 0.146018 0.500000 Li\n-0.001069 0.001069 -0.000000 U\n0.253326 0.258178 0.238561 I\n0.741823 0.746674 0.761438 I\n0.070365 0.404321 0.747420 I\n0.399880 0.079982 0.750322 I\n0.920018 0.600121 0.249677 I\n0.595680 0.929636 0.252579 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"U",
"I"
],
"chemical_system": "I-Li-U",
"density": 5.252475722441935,
"density_atomic": 0.025144078637822337,
"volume": 318.16636096445404,
"volume_molar": 23.950532635311394,
"formula_full": "Li1 U1 I6",
"formula_reduced": "LiUI6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.57697045625,
"spacegroup": 5
},
{
"id": "jvasp-85235",
"created_at": "2022-09-04T14:37:10.293965Z",
"updated_at": "2022-09-04T14:37:10.293977Z",
"structure_string": "Li4 U2 I12\n1.0\n7.364740 -0.000000 0.000000\n-3.682370 6.378052 -0.000000\n0.000000 0.000000 13.816631\nLi U I\n4 2 12\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.666667 0.333333 0.750000 U\n0.333333 0.666667 0.250000 U\n-0.001804 0.331415 0.124762 I\n0.001803 0.668584 0.875238 I\n0.668584 0.666781 0.124762 I\n0.331415 0.333219 0.875238 I\n-0.001804 0.666781 0.375238 I\n0.666781 0.668584 0.624762 I\n0.666781 -0.001804 0.875238 I\n0.668585 0.001804 0.375238 I\n0.001803 0.333219 0.624762 I\n0.333219 0.001804 0.124762 I\n0.333219 0.331415 0.375238 I\n0.331415 -0.001804 0.624762 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"U",
"I"
],
"chemical_system": "I-Li-U",
"density": 5.185440700851924,
"density_atomic": 0.0277347893012524,
"volume": 649.0043895587548,
"volume_molar": 21.713309932114974,
"formula_full": "Li4 U2 I12",
"formula_reduced": "Li2UI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.5976292944444446,
"spacegroup": 163
},
{
"id": "jvasp-34911",
"created_at": "2022-09-04T14:37:07.866974Z",
"updated_at": "2022-09-04T14:37:07.866999Z",
"structure_string": "Li2 Sc2 I6\n1.0\n3.663264 -6.344959 -0.000000\n3.663264 6.344959 0.000000\n-0.000000 0.000000 6.649839\nLi Sc I\n2 2 6\ndirect\n0.666667 0.333332 0.500000 Li\n0.666667 0.333332 0.000000 Li\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.003500 0.337354 0.250000 I\n0.662645 0.666145 0.250000 I\n0.333854 -0.003500 0.250000 I\n0.003500 0.666145 0.750000 I\n0.662645 -0.003501 0.750000 I\n0.333854 0.337354 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Sc",
"I"
],
"chemical_system": "I-Li-Sc",
"density": 4.647696988848821,
"density_atomic": 0.03234907266769768,
"volume": 309.12787215645744,
"volume_molar": 18.61611558965471,
"formula_full": "Li2 Sc2 I6",
"formula_reduced": "LiScI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2595608149999999,
"spacegroup": 188
}
]
}