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_reduced&page=4061",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4059",
"results": [
{
"id": "jvasp-121145",
"created_at": "2022-09-04T14:38:55.188002Z",
"updated_at": "2022-09-04T14:38:55.188030Z",
"structure_string": "Ti1 I3\n1.0\n7.427062 0.000000 0.000000\n-3.713531 6.432024 -0.000000\n0.000000 -0.000000 4.030824\nTi I\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.343291 0.000000 0.000000 I\n1.000000 0.343291 0.000000 I\n0.656708 0.656708 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"I"
],
"chemical_system": "I-Ti",
"density": 3.6959226379337564,
"density_atomic": 0.020773106611568424,
"volume": 192.55665870276826,
"volume_molar": 28.990082574583734,
"formula_full": "Ti1 I3",
"formula_reduced": "TiI3",
"formula_anonymous": "AB3",
"energy_above_hull": null,
"spacegroup": 189
},
{
"id": "jvasp-14108",
"created_at": "2022-09-04T14:38:08.020849Z",
"updated_at": "2022-09-04T14:38:08.020876Z",
"structure_string": "Ti2 I6\n1.0\n3.571263 -6.185610 0.000000\n3.571263 6.185610 0.000000\n-0.000000 0.000000 6.418597\nTi I\n2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.320062 -0.000000 0.250000 I\n0.320062 0.320062 0.750000 I\n-0.000000 0.679938 0.750000 I\n-0.000000 0.320062 0.250000 I\n0.679937 0.679937 0.250000 I\n0.679938 -0.000000 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"I"
],
"chemical_system": "I-Ti",
"density": 5.019228136383208,
"density_atomic": 0.028210807259527133,
"volume": 283.57926543552924,
"volume_molar": 21.346928163376997,
"formula_full": "Ti2 I6",
"formula_reduced": "TiI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5116342895833333,
"spacegroup": 193
},
{
"id": "jvasp-121144",
"created_at": "2022-09-04T14:38:52.846038Z",
"updated_at": "2022-09-04T14:38:52.846054Z",
"structure_string": "Ti1 I3\n1.0\n4.830187 0.000000 -0.000000\n-2.415093 4.183065 0.000000\n-0.000000 -0.000000 8.203010\nTi I\n1 3\ndirect\n0.666667 0.333333 0.000000 Ti\n0.333333 0.666666 0.745231 I\n0.000000 0.000000 0.000000 I\n0.333333 0.666666 0.254769 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"I"
],
"chemical_system": "I-Ti",
"density": 4.293877147712066,
"density_atomic": 0.02413393799180458,
"volume": 165.74170371028228,
"volume_molar": 24.952996738638355,
"formula_full": "Ti1 I3",
"formula_reduced": "TiI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6925217895833333,
"spacegroup": 187
},
{
"id": "jvasp-18349",
"created_at": "2022-09-04T14:38:12.295441Z",
"updated_at": "2022-09-04T14:38:12.295470Z",
"structure_string": "Ti2 I6\n1.0\n3.571268 -6.185617 -0.000000\n3.571268 6.185617 0.000000\n-0.000000 0.000000 6.418608\nTi I\n2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.320062 0.000000 0.250000 I\n0.320062 0.320062 0.750000 I\n0.000000 0.679939 0.750000 I\n0.000000 0.320062 0.250000 I\n0.679939 0.679939 0.250000 I\n0.679939 0.000000 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"I"
],
"chemical_system": "I-Ti",
"density": 5.019206827341674,
"density_atomic": 0.0282106874910593,
"volume": 283.58046937124124,
"volume_molar": 21.347018791756046,
"formula_full": "Ti2 I6",
"formula_reduced": "TiI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5116342895833333,
"spacegroup": 193
},
{
"id": "jvasp-118571",
"created_at": "2022-09-04T14:38:48.621843Z",
"updated_at": "2022-09-04T14:38:48.621876Z",
"structure_string": "Ti1 I3\n1.0\n6.490112 -0.556032 -1.904466\n-0.565387 -3.753741 -0.773140\n1.206268 -2.545367 -7.153707\nTi I\n1 3\ndirect\n0.124576 0.588841 0.740452 Ti\n0.070133 -0.218760 0.060911 I\n0.742867 0.586946 0.740578 I\n0.390357 0.397542 0.420213 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"I"
],
"chemical_system": "I-Ti",
"density": 4.654166376048741,
"density_atomic": 0.026158960505647474,
"volume": 152.9112748626398,
"volume_molar": 23.021330525346663,
"formula_full": "Ti1 I3",
"formula_reduced": "TiI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5292242895833333,
"spacegroup": 38
},
{
"id": "jvasp-27264",
"created_at": "2022-09-04T14:37:48.792303Z",
"updated_at": "2022-09-04T14:37:48.792322Z",
"structure_string": "Ti2 I8\n1.0\n6.899111 -0.002497 0.062706\n0.036325 6.944320 3.543999\n-0.004844 -0.016402 7.796443\nTi I\n2 8\ndirect\n0.750000 0.338583 0.661417 Ti\n0.250000 0.661417 0.338583 Ti\n0.925097 0.496445 0.270733 I\n0.574902 0.729267 0.503555 I\n0.074902 0.503555 0.729267 I\n0.425098 0.270733 0.496446 I\n0.599702 0.258247 0.994569 I\n0.900299 0.005431 0.741754 I\n0.400298 0.741753 0.005432 I\n0.099701 0.994569 0.258247 I\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"I"
],
"chemical_system": "I-Ti",
"density": 4.933585514505215,
"density_atomic": 0.02674307393399693,
"volume": 373.92859267713334,
"volume_molar": 22.518506192904024,
"formula_full": "Ti2 I8",
"formula_reduced": "TiI4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.3920466866666667,
"spacegroup": 15
},
{
"id": "jvasp-99917",
"created_at": "2022-09-04T14:36:34.192977Z",
"updated_at": "2022-09-04T14:36:34.192990Z",
"structure_string": "Ti1 In1\n1.0\n2.992709 -0.000000 0.000000\n0.000000 2.992709 -0.000000\n0.000000 -0.000000 4.258148\nTi In\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"In"
],
"chemical_system": "In-Ti",
"density": 7.083483353448895,
"density_atomic": 0.05244212292507321,
"volume": 38.137281415123184,
"volume_molar": 11.48340384428019,
"formula_full": "Ti1 In1",
"formula_reduced": "TiIn",
"formula_anonymous": "AB",
"energy_above_hull": 1.038579151666667,
"spacegroup": 123
},
{
"id": "jvasp-18471",
"created_at": "2022-09-04T14:36:33.168182Z",
"updated_at": "2022-09-04T14:36:33.168206Z",
"structure_string": "Ti2 I2 N2\n1.0\n3.536818 0.000000 0.000000\n0.000000 3.964923 0.000000\n0.000000 0.000000 9.061581\nTi I N\n2 2 2\ndirect\n0.000000 0.500000 0.923067 Ti\n0.500000 0.000000 0.076933 Ti\n0.500000 0.500000 0.680076 I\n0.000000 0.000000 0.319924 I\n0.000000 0.000000 0.964368 N\n0.500000 0.500000 0.035632 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"I",
"N"
],
"chemical_system": "I-N-Ti",
"density": 4.933775888341353,
"density_atomic": 0.04721715369126653,
"volume": 127.0724626738732,
"volume_molar": 12.754137615698506,
"formula_full": "Ti2 I2 N2",
"formula_reduced": "TiIN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.140472619444444,
"spacegroup": 59
},
{
"id": "jvasp-5395",
"created_at": "2022-09-04T14:38:15.861262Z",
"updated_at": "2022-09-04T14:38:15.861295Z",
"structure_string": "Ti2 I2 N2\n1.0\n3.536817 0.000000 0.000000\n0.000000 3.964859 0.000000\n0.000000 0.000000 9.061728\nTi I N\n2 2 2\ndirect\n0.000000 0.500000 0.923064 Ti\n0.500000 0.000000 0.076936 Ti\n0.500000 0.500000 0.680078 I\n0.000000 0.000000 0.319922 I\n0.000000 0.000000 0.964371 N\n0.500000 0.500000 0.035629 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"I",
"N"
],
"chemical_system": "I-N-Ti",
"density": 4.933776886032288,
"density_atomic": 0.0472171632393545,
"volume": 127.07243697772864,
"volume_molar": 12.754135036601847,
"formula_full": "Ti2 I2 N2",
"formula_reduced": "TiIN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.140472619444444,
"spacegroup": 59
},
{
"id": "jvasp-118569",
"created_at": "2022-09-04T14:38:53.280811Z",
"updated_at": "2022-09-04T14:38:53.280839Z",
"structure_string": "Ti2 I2 N2\n1.0\n3.534728 0.000000 0.000000\n0.000000 3.964010 0.000000\n0.000000 0.000000 9.049896\nTi I N\n2 2 2\ndirect\n0.000000 0.500000 0.076374 Ti\n0.500001 0.000000 0.923627 Ti\n0.000000 0.000000 0.679482 I\n0.500001 0.500000 0.320519 I\n0.000000 0.000000 0.036231 N\n0.500001 0.500000 0.963770 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"I",
"N"
],
"chemical_system": "I-N-Ti",
"density": 4.944205745607234,
"density_atomic": 0.047316969366855845,
"volume": 126.8044018939815,
"volume_molar": 12.72723261988612,
"formula_full": "Ti2 I2 N2",
"formula_reduced": "TiIN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1368526194444444,
"spacegroup": 59
},
{
"id": "jvasp-54577",
"created_at": "2022-09-04T14:38:35.322741Z",
"updated_at": "2022-09-04T14:38:35.322749Z",
"structure_string": "Ti1 In1 Au2\n1.0\n4.073555 0.000344 2.351647\n1.357936 3.840821 2.352064\n-0.000204 0.000364 4.703650\nTi In Au\n1 1 2\ndirect\n0.499999 0.500000 0.499991 Ti\n0.000005 0.999991 0.999997 In\n0.249987 0.249999 0.249994 Au\n0.750013 0.750007 0.750018 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"In",
"Au"
],
"chemical_system": "Au-In-Ti",
"density": 12.559999360391302,
"density_atomic": 0.05435545768716958,
"volume": 73.5896664327819,
"volume_molar": 11.079183243491492,
"formula_full": "Ti1 In1 Au2",
"formula_reduced": "TiInAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9724983608333336,
"spacegroup": 225
},
{
"id": "jvasp-41642",
"created_at": "2022-09-04T14:37:41.728366Z",
"updated_at": "2022-09-04T14:37:41.728386Z",
"structure_string": "Ti1 In1 Co2\n1.0\n-0.000037 3.030725 3.030738\n3.030978 -0.000005 3.030706\n3.031007 3.030723 -0.000035\nTi In Co\n1 1 2\ndirect\n0.750002 0.749999 0.750002 Ti\n0.250000 0.250001 0.249999 In\n0.500008 0.499996 0.500005 Co\n0.999993 0.000008 0.999991 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"In",
"Co"
],
"chemical_system": "Co-In-Ti",
"density": 8.366593301834536,
"density_atomic": 0.0718368247082756,
"volume": 55.68174841028574,
"volume_molar": 8.383083167241173,
"formula_full": "Ti1 In1 Co2",
"formula_reduced": "TiInCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.409555025833334,
"spacegroup": 225
}
]
}