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=1220",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1218",
"results": [
{
"id": "jvasp-90538",
"created_at": "2022-09-04T14:37:52.309194Z",
"updated_at": "2022-09-04T14:37:52.309215Z",
"structure_string": "U2 S6\n1.0\n0.000000 -3.903284 0.000000\n-5.392158 0.000000 0.006557\n-1.127079 0.000000 -8.927922\nU S\n2 6\ndirect\n0.749999 0.280534 0.351957 U\n0.250000 0.719467 0.648042 U\n0.749999 0.482579 0.830786 S\n0.250000 0.517421 0.169213 S\n0.749999 0.867641 0.838034 S\n0.250000 0.132359 0.161966 S\n0.749999 0.764927 0.431331 S\n0.250000 0.235073 0.568668 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 5.906181592811035,
"density_atomic": 0.04256769890379243,
"volume": 187.93592808671332,
"volume_molar": 14.147207659992814,
"formula_full": "U2 S6",
"formula_reduced": "US3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.605009,
"spacegroup": 11
},
{
"id": "jvasp-20081",
"created_at": "2022-09-04T14:36:38.115027Z",
"updated_at": "2022-09-04T14:36:38.115048Z",
"structure_string": "Tm1 As1\n1.0\n3.507657 0.000000 2.025147\n1.169219 3.307051 2.025147\n0.000000 -0.000000 4.050293\nTm As\n1 1\ndirect\n0.500001 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"As"
],
"chemical_system": "As-Tm",
"density": 8.61862038265127,
"density_atomic": 0.04256822514851495,
"volume": 46.98340118767607,
"volume_molar": 14.147032766786825,
"formula_full": "Tm1 As1",
"formula_reduced": "TmAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.440353,
"spacegroup": 225
},
{
"id": "jvasp-10688",
"created_at": "2022-09-04T14:37:07.355371Z",
"updated_at": "2022-09-04T14:37:07.355393Z",
"structure_string": "K1 V1 P2 S7\n1.0\n6.249819 0.016273 -0.613490\n-0.698965 6.388515 -0.715152\n0.022569 0.013609 6.466252\nK V P S\n1 1 2 7\ndirect\n0.500000 0.112943 0.887057 K\n-0.000000 0.500160 0.499840 V\n0.084049 0.051329 0.347902 P\n0.915950 0.652097 0.948670 P\n-0.000001 0.987713 0.012287 S\n0.764803 0.541301 0.184108 S\n0.291815 0.315082 0.369084 S\n0.708184 0.630915 0.684918 S\n0.819481 0.143176 0.477010 S\n0.180519 0.522989 0.856824 S\n0.235196 0.815891 0.458699 S\n",
"nsites": 11,
"nelements": 4,
"elements": [
"K",
"V",
"P",
"S"
],
"chemical_system": "K-P-S-V",
"density": 2.419042627808138,
"density_atomic": 0.04256853099108151,
"volume": 258.4068499405018,
"volume_molar": 14.146931124453632,
"formula_full": "K1 V1 P2 S7",
"formula_reduced": "KVP2S7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.433175745454545,
"spacegroup": 5
},
{
"id": "jvasp-16754",
"created_at": "2022-09-04T14:38:28.477986Z",
"updated_at": "2022-09-04T14:38:28.478008Z",
"structure_string": "U2 S6\n1.0\n0.000000 5.391689 -0.022450\n3.903430 0.000000 0.000000\n0.000000 -1.165056 -8.924700\nU S\n2 6\ndirect\n0.719064 0.250000 0.851960 U\n0.280935 0.750000 0.148040 U\n0.133050 0.250000 0.337957 S\n0.866950 0.750000 0.662043 S\n0.481843 0.750000 0.669193 S\n0.518157 0.250000 0.330807 S\n0.765118 0.750000 0.068657 S\n0.234882 0.250000 0.931343 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 5.906303418049188,
"density_atomic": 0.042568576936405395,
"volume": 187.93205166222646,
"volume_molar": 14.146915855318998,
"formula_full": "U2 S6",
"formula_reduced": "US3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6049965,
"spacegroup": 11
},
{
"id": "jvasp-53119",
"created_at": "2022-09-04T14:37:27.192967Z",
"updated_at": "2022-09-04T14:37:27.193003Z",
"structure_string": "Ba4 N2 F2\n1.0\n-5.720867 -0.000475 -0.001255\n-0.001449 -5.704597 -0.001439\n2.860155 2.851338 5.759789\nBa N F\n4 2 2\ndirect\n0.770983 0.767201 0.533880 Ba\n0.236467 0.233422 0.466007 Ba\n0.487210 0.983456 0.966345 Ba\n0.020559 0.517532 0.034218 Ba\n0.991496 0.997371 -0.000081 N\n0.241665 0.747610 0.500325 N\n0.500290 0.499777 0.000517 F\n0.749909 0.249377 0.499771 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 5.436970984042447,
"density_atomic": 0.042569459827060084,
"volume": 187.92815395121946,
"volume_molar": 14.146622448264921,
"formula_full": "Ba4 N2 F2",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6583413681249999,
"spacegroup": 46
},
{
"id": "jvasp-4222",
"created_at": "2022-09-04T14:37:06.589613Z",
"updated_at": "2022-09-04T14:37:06.589630Z",
"structure_string": "U2 S6\n1.0\n0.000000 5.391636 -0.022157\n3.903507 0.000000 0.000000\n0.000000 -1.165606 -8.924389\nU S\n2 6\ndirect\n0.719059 0.250000 0.851951 U\n0.280941 0.750001 0.148049 U\n0.133058 0.250000 0.337955 S\n0.866943 0.750001 0.662046 S\n0.481821 0.750001 0.669158 S\n0.518179 0.250000 0.330843 S\n0.765107 0.750001 0.068661 S\n0.234893 0.250000 0.931340 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 5.906491033738926,
"density_atomic": 0.04256992914139011,
"volume": 187.92608212781167,
"volume_molar": 14.146466488112528,
"formula_full": "U2 S6",
"formula_reduced": "US3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6049965,
"spacegroup": 11
},
{
"id": "jvasp-99927",
"created_at": "2022-09-04T14:36:51.237770Z",
"updated_at": "2022-09-04T14:36:51.237782Z",
"structure_string": "Sr1 Cu1 Ge1\n1.0\n4.234894 -0.000000 0.000000\n-2.117448 3.667526 -0.000000\n-0.000000 0.000000 4.537308\nSr Cu Ge\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sr\n0.000000 0.000000 0.500000 Cu\n0.333333 0.666668 0.500000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Sr",
"density": 5.273595513307935,
"density_atomic": 0.04257035267609426,
"volume": 70.47157966545753,
"volume_molar": 14.146325744164633,
"formula_full": "Sr1 Cu1 Ge1",
"formula_reduced": "SrCuGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-117211",
"created_at": "2022-09-04T14:38:46.351169Z",
"updated_at": "2022-09-04T14:38:46.351200Z",
"structure_string": "La4 Ce2 S8\n1.0\n7.103353 0.008742 -2.503050\n-3.557060 6.148579 -2.503050\n-0.005035 -0.008742 7.531458\nLa Ce S\n4 2 8\ndirect\n0.000415 0.875000 0.625415 La\n0.249586 0.375000 0.374586 La\n0.125000 0.750414 0.125414 La\n0.625000 -0.000414 0.874586 La\n0.500000 0.500000 -0.000000 Ce\n0.750000 0.250000 0.500000 Ce\n0.025680 0.276397 0.898752 S\n0.377647 0.126930 0.101249 S\n0.224321 0.623071 0.750718 S\n0.872354 0.473603 0.249283 S\n0.376930 0.127646 0.601249 S\n0.526397 0.775680 0.398751 S\n0.723604 0.622353 0.749283 S\n0.873070 0.974320 0.250717 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"La",
"Ce",
"S"
],
"chemical_system": "Ce-La-S",
"density": 5.515744477074659,
"density_atomic": 0.042570795914729474,
"volume": 328.8639476706614,
"volume_molar": 14.146178455442834,
"formula_full": "La4 Ce2 S8",
"formula_reduced": "La2CeS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.872592214285714,
"spacegroup": 122
},
{
"id": "jvasp-16505",
"created_at": "2022-09-04T14:38:14.414312Z",
"updated_at": "2022-09-04T14:38:14.414336Z",
"structure_string": "Er1 Hg2\n1.0\n2.460345 -4.261443 -0.000000\n2.460345 4.261443 0.000000\n-0.000000 -0.000000 3.360595\nEr Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.333332 0.666666 0.499999 Hg\n0.666666 0.333332 0.499999 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Er",
"Hg"
],
"chemical_system": "Er-Hg",
"density": 13.394734132912582,
"density_atomic": 0.042571836777060806,
"volume": 70.46912294882482,
"volume_molar": 14.14583258771898,
"formula_full": "Er1 Hg2",
"formula_reduced": "ErHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1931188888888888,
"spacegroup": 191
},
{
"id": "jvasp-56802",
"created_at": "2022-09-04T14:37:44.197705Z",
"updated_at": "2022-09-04T14:37:44.197734Z",
"structure_string": "Tb6 Cu2 Ge2 Se14\n1.0\n5.161750 -8.940412 0.000000\n5.161750 8.940413 -0.000000\n-0.000000 0.000000 6.107839\nTb Cu Ge Se\n6 2 2 14\ndirect\n0.643328 0.780634 0.758181 Tb\n0.862694 0.643328 0.258181 Tb\n0.219366 0.862694 0.758181 Tb\n0.780634 0.137306 0.258181 Tb\n0.137306 0.356672 0.758181 Tb\n0.356672 0.219366 0.258181 Tb\n0.000000 0.000000 0.703224 Cu\n0.000000 0.000000 0.203224 Cu\n0.666667 0.333333 0.840771 Ge\n0.333333 0.666667 0.340771 Ge\n0.518338 0.091394 0.006597 Se\n0.263519 0.159266 0.721649 Se\n0.908606 0.426944 0.006597 Se\n0.333333 0.666667 0.954026 Se\n0.840734 0.104254 0.721649 Se\n0.573056 0.481662 0.006597 Se\n0.666667 0.333333 0.454025 Se\n0.736481 0.840734 0.221649 Se\n0.481662 0.908606 0.506597 Se\n0.426944 0.518338 0.506597 Se\n0.104254 0.263519 0.221649 Se\n0.895746 0.736481 0.721649 Se\n0.159267 0.895746 0.221649 Se\n0.091394 0.573056 0.506597 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tb",
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Ge-Se-Tb",
"density": 6.867317110169383,
"density_atomic": 0.04257347906690836,
"volume": 563.7312365823256,
"volume_molar": 14.145286906281774,
"formula_full": "Tb6 Cu2 Ge2 Se14",
"formula_reduced": "Tb3CuGeSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.3536979305555557,
"spacegroup": 173
},
{
"id": "jvasp-40635",
"created_at": "2022-09-04T14:37:59.490560Z",
"updated_at": "2022-09-04T14:37:59.490581Z",
"structure_string": "Sm4 Mg2 Ge4\n1.0\n7.367204 0.000000 -0.000000\n0.000000 7.367204 0.000000\n0.000000 -0.000000 4.327526\nSm Mg Ge\n4 2 4\ndirect\n0.178050 0.321950 0.500000 Sm\n0.321950 0.821949 0.500000 Sm\n0.678050 0.178050 0.500000 Sm\n0.821949 0.678050 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.122788 0.622787 0.000000 Ge\n0.377212 0.122788 0.000000 Ge\n0.622787 0.877212 0.000000 Ge\n0.877212 0.377212 0.000000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg-Sm",
"density": 6.649876989333644,
"density_atomic": 0.04257502607913103,
"volume": 234.87948031819747,
"volume_molar": 14.144772921118347,
"formula_full": "Sm4 Mg2 Ge4",
"formula_reduced": "Sm2MgGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6526437399999998,
"spacegroup": 127
},
{
"id": "jvasp-30166",
"created_at": "2022-09-04T14:37:09.326526Z",
"updated_at": "2022-09-04T14:37:09.326536Z",
"structure_string": "Ho2 I2 O2\n1.0\n3.910833 -0.000000 0.000000\n0.000000 3.910833 -0.000000\n0.000000 -0.000000 9.213851\nHo I O\n2 2 2\ndirect\n0.250000 0.250000 0.881308 Ho\n0.750000 0.750000 0.118692 Ho\n0.250000 0.250000 0.323476 I\n0.750000 0.750000 0.676524 I\n0.250000 0.750000 0.000000 O\n0.750000 0.250000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"I",
"O"
],
"chemical_system": "Ho-I-O",
"density": 7.254645904724049,
"density_atomic": 0.04257665350684755,
"volume": 140.9223014447349,
"volume_molar": 14.144232258722415,
"formula_full": "Ho2 I2 O2",
"formula_reduced": "HoIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0626584472222224,
"spacegroup": 129
}
]
}