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=-volume_molar&page=123",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=121",
"results": [
{
"id": "jvasp-115191",
"created_at": "2022-09-04T14:38:45.227504Z",
"updated_at": "2022-09-04T14:38:45.227533Z",
"structure_string": "Li1 I2\n1.0\n5.730443 -0.000000 -0.000000\n-2.865222 4.962710 -0.000000\n0.000000 0.000000 4.460994\nLi I\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333334 0.666667 0.000000 I\n0.666666 0.333334 0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"I"
],
"chemical_system": "I-Li",
"density": 3.412986582280783,
"density_atomic": 0.02364735226890834,
"volume": 126.86409733678367,
"volume_molar": 25.466448385081748,
"formula_full": "Li1 I2",
"formula_reduced": "LiI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2475587583333334,
"spacegroup": 191
},
{
"id": "jvasp-64216",
"created_at": "2022-09-04T14:36:10.641557Z",
"updated_at": "2022-09-04T14:36:10.641581Z",
"structure_string": "Ba4 Be1 Zn1\n1.0\n0.000000 5.024530 5.024530\n5.024530 -0.000000 5.024530\n5.024530 5.024530 0.000000\nBa Be Zn\n4 1 1\ndirect\n0.125512 0.624830 0.624830 Ba\n0.624830 0.624830 0.624830 Ba\n0.624830 0.125512 0.624830 Ba\n0.624830 0.624830 0.125512 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Zn"
],
"chemical_system": "Ba-Be-Zn",
"density": 4.082524827414831,
"density_atomic": 0.023650205779901824,
"volume": 253.69758114742743,
"volume_molar": 25.46337573568884,
"formula_full": "Ba4 Be1 Zn1",
"formula_reduced": "Ba4BeZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0003383966666666,
"spacegroup": 216
},
{
"id": "jvasp-64691",
"created_at": "2022-09-04T14:36:05.138552Z",
"updated_at": "2022-09-04T14:36:05.138576Z",
"structure_string": "Ba4 Ti1 Tl1\n1.0\n0.000000 5.024387 5.024387\n5.024387 0.000000 5.024387\n5.024387 5.024387 0.000000\nBa Ti Tl\n4 1 1\ndirect\n0.124352 0.625217 0.625217 Ba\n0.625217 0.625217 0.625217 Ba\n0.625217 0.124352 0.625217 Ba\n0.625217 0.625217 0.124352 Ba\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Tl"
],
"chemical_system": "Ba-Ti-Tl",
"density": 5.246926342924867,
"density_atomic": 0.02365222517590929,
"volume": 253.67592078022466,
"volume_molar": 25.4612017060187,
"formula_full": "Ba4 Ti1 Tl1",
"formula_reduced": "Ba4TiTl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5302091355555555,
"spacegroup": 216
},
{
"id": "jvasp-94824",
"created_at": "2022-09-04T14:36:17.329962Z",
"updated_at": "2022-09-04T14:36:17.329974Z",
"structure_string": "Ac6 Nd2\n1.0\n7.851017 -0.000000 0.000000\n-3.925508 6.799180 0.000000\n-0.000000 0.000000 6.335413\nAc Nd\n6 2\ndirect\n0.831102 0.168898 0.750000 Ac\n0.337796 0.168898 0.750000 Ac\n0.831102 0.662203 0.750000 Ac\n0.168898 0.831101 0.250001 Ac\n0.662203 0.831101 0.250001 Ac\n0.168899 0.337797 0.250001 Ac\n0.666667 0.333332 0.250001 Nd\n0.333333 0.666666 0.750000 Nd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Nd"
],
"chemical_system": "Ac-Nd",
"density": 8.104067098147148,
"density_atomic": 0.023655525438788825,
"volume": 338.18737278530745,
"volume_molar": 25.457649527096432,
"formula_full": "Ac6 Nd2",
"formula_reduced": "Ac3Nd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9719378749999998,
"spacegroup": 194
},
{
"id": "jvasp-42943",
"created_at": "2022-09-04T14:36:06.959185Z",
"updated_at": "2022-09-04T14:36:06.959218Z",
"structure_string": "Ba2 Ca4 I12\n1.0\n-0.000000 7.663398 0.000000\n-12.150897 3.831699 -0.103170\n-0.205393 0.000000 8.165693\nBa Ca I\n2 4 12\ndirect\n0.780958 -0.000000 0.750000 Ba\n0.219042 -0.000000 0.250000 Ba\n0.407456 0.658799 0.844833 Ca\n0.933746 0.658799 0.344833 Ca\n0.066254 0.341201 0.655166 Ca\n0.592545 0.341201 0.155167 Ca\n0.823854 0.216321 0.460804 I\n0.959827 0.216321 0.960804 I\n0.196557 0.423735 0.318456 I\n0.379708 0.423735 0.818456 I\n0.620292 0.576264 0.181544 I\n0.176146 0.783680 0.539196 I\n0.040173 0.783680 0.039196 I\n0.348026 0.127789 0.588462 I\n0.651974 0.872211 0.411538 I\n0.475815 0.872211 0.911538 I\n0.803443 0.576264 0.681543 I\n0.524185 0.127789 0.088462 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.274706166516078,
"density_atomic": 0.02366775115828995,
"volume": 760.5285301343578,
"volume_molar": 25.44449922480558,
"formula_full": "Ba2 Ca4 I12",
"formula_reduced": "BaCa2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0031222222222226,
"spacegroup": 15
},
{
"id": "jvasp-64506",
"created_at": "2022-09-04T14:36:15.918387Z",
"updated_at": "2022-09-04T14:36:15.918413Z",
"structure_string": "Ba4 Y1 Zr1\n1.0\n-0.000000 5.023141 5.023141\n5.023141 -0.000000 5.023141\n5.023141 5.023141 0.000000\nBa Y Zr\n4 1 1\ndirect\n0.122970 0.625677 0.625677 Ba\n0.625677 0.625677 0.625677 Ba\n0.625677 0.122970 0.625677 Ba\n0.625677 0.625677 0.122970 Ba\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Zr"
],
"chemical_system": "Ba-Y-Zr",
"density": 4.778386662655834,
"density_atomic": 0.02366983048507654,
"volume": 253.48723996071314,
"volume_molar": 25.44226399845519,
"formula_full": "Ba4 Y1 Zr1",
"formula_reduced": "Ba4YZr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2863739716666664,
"spacegroup": 216
},
{
"id": "jvasp-12507",
"created_at": "2022-09-04T14:37:31.458501Z",
"updated_at": "2022-09-04T14:37:31.458525Z",
"structure_string": "Ba4 I8\n1.0\n5.295642 0.000000 0.000000\n-0.000000 8.909377 0.000000\n0.000000 0.000000 10.743266\nBa I\n4 8\ndirect\n0.250000 0.748498 0.620482 Ba\n0.750000 0.251502 0.379518 Ba\n0.250000 0.248498 0.879518 Ba\n0.750000 0.751502 0.120482 Ba\n0.250000 0.527283 0.331559 I\n0.750000 0.472718 0.668441 I\n0.250000 0.027283 0.168441 I\n0.750000 0.972718 0.831560 I\n0.750000 0.856206 0.430337 I\n0.250000 0.143794 0.569663 I\n0.750000 0.356206 0.069663 I\n0.250000 0.643795 0.930338 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"I"
],
"chemical_system": "Ba-I",
"density": 5.1254798321759845,
"density_atomic": 0.023674398999927015,
"volume": 506.8766476410655,
"volume_molar": 25.437354333761817,
"formula_full": "Ba4 I8",
"formula_reduced": "BaI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-64178",
"created_at": "2022-09-04T14:36:19.439930Z",
"updated_at": "2022-09-04T14:36:19.439959Z",
"structure_string": "Ba4 Zn1 Sn1\n1.0\n-0.000000 5.022587 5.022587\n5.022587 0.000000 5.022587\n5.022587 5.022587 -0.000000\nBa Zn Sn\n4 1 1\ndirect\n0.128076 0.623975 0.623975 Ba\n0.623975 0.623975 0.623975 Ba\n0.623975 0.128076 0.623975 Ba\n0.623975 0.623975 0.128076 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Sn"
],
"chemical_system": "Ba-Sn-Zn",
"density": 4.806108720952273,
"density_atomic": 0.02367766381829978,
"volume": 253.40337822360559,
"volume_molar": 25.433846878701196,
"formula_full": "Ba4 Zn1 Sn1",
"formula_reduced": "Ba4ZnSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0153219899999999,
"spacegroup": 216
},
{
"id": "jvasp-100150",
"created_at": "2022-09-04T14:36:36.200679Z",
"updated_at": "2022-09-04T14:36:36.200702Z",
"structure_string": "Ba1 Yb3\n1.0\n5.373657 0.000000 3.102483\n1.791219 5.066333 3.102483\n-0.000000 0.000000 6.204965\nYb Ba\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750001 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ba"
],
"chemical_system": "Ba-Yb",
"density": 6.4527636105424175,
"density_atomic": 0.023678652361650676,
"volume": 168.92853270983846,
"volume_molar": 25.432785058972783,
"formula_full": "Ba1 Yb3",
"formula_reduced": "BaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0046925,
"spacegroup": 225
},
{
"id": "jvasp-66549",
"created_at": "2022-09-04T14:36:10.911273Z",
"updated_at": "2022-09-04T14:36:10.911302Z",
"structure_string": "Ba1 Mg1 Tl1\n1.0\n0.000000 3.985469 3.985469\n3.985469 -0.000000 3.985469\n3.985469 3.985469 0.000000\nBa Mg Tl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Tl"
],
"chemical_system": "Ba-Mg-Tl",
"density": 4.80042883157788,
"density_atomic": 0.023694794842276767,
"volume": 126.61008546262384,
"volume_molar": 25.415458543051685,
"formula_full": "Ba1 Mg1 Tl1",
"formula_reduced": "BaMgTl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-3270",
"created_at": "2022-09-04T14:36:11.047908Z",
"updated_at": "2022-09-04T14:36:11.047930Z",
"structure_string": "K6 Sb2\n1.0\n3.018283 -5.227819 0.000000\n3.018283 5.227819 0.000000\n0.000000 0.000000 10.698348\nK Sb\n6 2\ndirect\n0.333332 0.666667 0.917686 K\n0.666667 0.333332 0.417686 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.333332 0.666667 0.582314 K\n0.666667 0.333332 0.082314 K\n0.666667 0.333332 0.750000 Sb\n0.333332 0.666667 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Sb"
],
"chemical_system": "K-Sb",
"density": 2.3515245997695198,
"density_atomic": 0.023695330478996284,
"volume": 337.61926245727017,
"volume_molar": 25.414884022563307,
"formula_full": "K6 Sb2",
"formula_reduced": "K3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-90429",
"created_at": "2022-09-04T14:35:48.329603Z",
"updated_at": "2022-09-04T14:35:48.329634Z",
"structure_string": "K6 Sb2\n1.0\n-3.018234 -5.227727 0.000000\n-3.018234 5.227727 -0.000000\n0.000000 0.000000 -10.698408\nK Sb\n6 2\ndirect\n0.000000 -0.000000 0.750000 K\n-0.000000 0.000000 0.250000 K\n0.666665 0.333334 0.082310 K\n0.333334 0.666665 0.917690 K\n0.333334 0.666665 0.582310 K\n0.666665 0.333334 0.417690 K\n0.666665 0.333334 0.750000 Sb\n0.333334 0.666665 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Sb"
],
"chemical_system": "K-Sb",
"density": 2.351590971350482,
"density_atomic": 0.023695999277675007,
"volume": 337.609733451382,
"volume_molar": 25.414166709878785,
"formula_full": "K6 Sb2",
"formula_reduced": "K3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 5.000000000001531e-06,
"spacegroup": 194
}
]
}