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&page=3654",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3652",
"results": [
{
"id": "jvasp-33839",
"created_at": "2022-09-04T14:38:05.411515Z",
"updated_at": "2022-09-04T14:38:05.411545Z",
"structure_string": "Te2 Br4\n1.0\n7.979906 0.000000 0.000000\n0.000000 7.979906 0.000000\n0.000000 0.000000 3.890946\nTe Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500003 Te\n0.319746 0.319746 0.000000 Br\n0.680253 0.680253 0.000000 Br\n0.819746 0.180253 0.500003 Br\n0.180253 0.819746 0.500003 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Te",
"Br"
],
"chemical_system": "Br-Te",
"density": 3.8523628932322946,
"density_atomic": 0.024215893374223724,
"volume": 247.77116033995335,
"volume_molar": 24.86854673059548,
"formula_full": "Te2 Br4",
"formula_reduced": "TeBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1843919922222222,
"spacegroup": 136
},
{
"id": "jvasp-93488",
"created_at": "2022-09-04T14:35:54.563993Z",
"updated_at": "2022-09-04T14:35:54.564021Z",
"structure_string": "Te2 Br4\n1.0\n7.979926 0.000000 0.000000\n0.000000 7.979926 0.000000\n0.000000 0.000000 3.890955\nTe Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500001 Te\n0.319747 0.319747 0.000000 Br\n0.680252 0.680252 0.000000 Br\n0.819747 0.180252 0.500001 Br\n0.180252 0.819747 0.500001 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Te",
"Br"
],
"chemical_system": "Br-Te",
"density": 3.8523346722981366,
"density_atomic": 0.02421571597786948,
"volume": 247.77297542981364,
"volume_molar": 24.868728909372653,
"formula_full": "Te2 Br4",
"formula_reduced": "TeBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1843919922222222,
"spacegroup": 136
},
{
"id": "jvasp-37279",
"created_at": "2022-09-04T14:38:04.060603Z",
"updated_at": "2022-09-04T14:38:04.060635Z",
"structure_string": "Sm2 Bi6\n1.0\n3.442722 -5.962970 -0.000000\n3.442722 5.962970 0.000000\n0.000000 -0.000000 6.035161\nSm Bi\n2 6\ndirect\n0.666667 0.333333 0.750000 Sm\n0.333333 0.666667 0.250000 Sm\n0.826964 0.653929 0.250000 Bi\n0.346071 0.173035 0.250000 Bi\n0.826964 0.173035 0.250000 Bi\n0.173035 0.346071 0.750000 Bi\n0.653929 0.826964 0.750000 Bi\n0.173035 0.826964 0.750000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Bi"
],
"chemical_system": "Bi-Sm",
"density": 10.418015426108811,
"density_atomic": 0.032285428278026496,
"volume": 247.7898057014412,
"volume_molar": 18.652813610339116,
"formula_full": "Sm2 Bi6",
"formula_reduced": "SmBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.95610294375,
"spacegroup": 194
},
{
"id": "jvasp-42966",
"created_at": "2022-09-04T14:37:27.659479Z",
"updated_at": "2022-09-04T14:37:27.659507Z",
"structure_string": "Mn1 V1 P4 O14\n1.0\n4.771220 -0.076638 -0.080423\n2.070830 6.589824 -0.137638\n0.035519 0.182731 7.838893\nMn V P O\n1 1 4 14\ndirect\n0.783557 0.728010 0.006045 Mn\n0.217966 0.271782 0.505749 V\n0.398058 0.494234 0.183704 P\n0.217746 0.896663 0.777387 P\n0.766517 0.098841 0.267576 P\n0.613837 0.509468 0.690217 P\n0.854728 0.469054 0.559113 O\n0.725736 0.516174 0.873184 O\n0.607267 0.626744 0.188310 O\n0.410221 0.899498 0.935768 O\n0.402186 0.729565 0.647042 O\n0.579639 0.266478 0.135787 O\n0.283285 0.482671 0.363285 O\n0.432235 0.359167 0.681912 O\n0.873778 0.907961 0.164048 O\n0.160997 0.549394 0.046146 O\n0.140522 0.090677 0.673104 O\n0.026933 0.170966 0.326023 O\n0.574047 0.084410 0.419550 O\n0.936055 0.843628 0.819608 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Mn-O-P-V",
"density": 3.04050664089173,
"density_atomic": 0.08070393635293335,
"volume": 247.81938656048044,
"volume_molar": 7.4620161446203275,
"formula_full": "Mn1 V1 P4 O14",
"formula_reduced": "MnV(P2O7)2",
"formula_anonymous": "ABC4D14",
"energy_above_hull": 3.320686622068965,
"spacegroup": 1
},
{
"id": "jvasp-51702",
"created_at": "2022-09-04T14:38:28.101020Z",
"updated_at": "2022-09-04T14:38:28.101042Z",
"structure_string": "Ba2 H10 Br2 O6\n1.0\n4.596794 0.000000 -0.000000\n0.000000 4.596794 -0.000000\n0.000000 -0.000000 11.729607\nBa H Br O\n2 10 2 6\ndirect\n0.500000 0.000000 0.808873 Ba\n0.000000 0.500000 0.191128 Ba\n0.500000 0.000000 0.518479 H\n0.000000 0.500000 0.481521 H\n0.500000 0.319389 0.379276 H\n0.180611 0.000000 0.379276 H\n0.500000 0.680610 0.379276 H\n0.000000 0.819389 0.620724 H\n0.000000 0.180611 0.620724 H\n0.319389 0.500000 0.620724 H\n0.680610 0.500000 0.620724 H\n0.819389 0.000000 0.379276 H\n0.000000 0.500000 0.902754 Br\n0.500000 0.000000 0.097246 Br\n0.000000 0.500000 0.564555 O\n0.500000 0.500000 0.671298 O\n0.000000 0.000000 0.671298 O\n0.000000 0.000000 0.328702 O\n0.500000 0.500000 0.328702 O\n0.500000 0.000000 0.435446 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"H",
"Br",
"O"
],
"chemical_system": "Ba-Br-H-O",
"density": 3.621442735677527,
"density_atomic": 0.08069310940350966,
"volume": 247.85263757762846,
"volume_molar": 7.463017356148719,
"formula_full": "Ba2 H10 Br2 O6",
"formula_reduced": "BaH5BrO3",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.2208500575,
"spacegroup": 129
},
{
"id": "jvasp-38238",
"created_at": "2022-09-04T14:37:48.607784Z",
"updated_at": "2022-09-04T14:37:48.607806Z",
"structure_string": "Rb3 Lu1\n1.0\n-3.169446 3.169446 6.168347\n3.169446 -3.169446 6.168347\n3.169446 3.169446 -6.168347\nRb Lu\n3 1\ndirect\n0.750002 0.250000 0.500002 Rb\n0.250000 0.750002 0.500002 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Lu"
],
"chemical_system": "Lu-Rb",
"density": 2.8900405524914166,
"density_atomic": 0.016138549158890837,
"volume": 247.8537544247819,
"volume_molar": 37.315254926012734,
"formula_full": "Rb3 Lu1",
"formula_reduced": "Rb3Lu",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-90471",
"created_at": "2022-09-04T14:35:54.600377Z",
"updated_at": "2022-09-04T14:35:54.600397Z",
"structure_string": "Sr4 Zn4\n1.0\n4.681224 0.000000 0.000000\n-0.000000 6.266820 0.000000\n0.000000 0.000000 8.448737\nSr Zn\n4 4\ndirect\n0.250000 0.379403 0.679549 Sr\n0.749999 0.620597 0.320452 Sr\n0.749999 0.879403 0.820452 Sr\n0.250000 0.120597 0.179548 Sr\n0.250000 0.892113 0.529343 Zn\n0.749999 0.107887 0.470658 Zn\n0.749999 0.392113 0.970658 Zn\n0.250000 0.607887 0.029343 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Zn"
],
"chemical_system": "Sr-Zn",
"density": 4.100949243473471,
"density_atomic": 0.03227688033293994,
"volume": 247.85542832761496,
"volume_molar": 18.65775346898736,
"formula_full": "Sr4 Zn4",
"formula_reduced": "SrZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.3000807142857142,
"spacegroup": 62
},
{
"id": "jvasp-64714",
"created_at": "2022-09-04T14:36:21.966239Z",
"updated_at": "2022-09-04T14:36:21.966258Z",
"structure_string": "Ba4 Nb1 Tl1\n1.0\n0.000000 4.985785 4.985785\n4.985785 -0.000000 4.985785\n4.985785 4.985785 -0.000000\nBa Nb Tl\n4 1 1\ndirect\n0.124816 0.625062 0.625062 Ba\n0.625062 0.625062 0.625062 Ba\n0.625062 0.124816 0.625062 Ba\n0.625062 0.625062 0.124816 Ba\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Tl"
],
"chemical_system": "Ba-Nb-Tl",
"density": 5.671468650303408,
"density_atomic": 0.024205865440021547,
"volume": 247.87380624200722,
"volume_molar": 24.878849198438903,
"formula_full": "Ba4 Nb1 Tl1",
"formula_reduced": "Ba4NbTl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.85295598,
"spacegroup": 216
},
{
"id": "jvasp-58484",
"created_at": "2022-09-04T14:38:19.222798Z",
"updated_at": "2022-09-04T14:38:19.222836Z",
"structure_string": "Mg1 Ti4 S8\n1.0\n5.910067 -0.149848 4.254965\n2.097944 5.527203 4.254965\n-0.223154 -0.149848 7.278999\nMg Ti S\n1 4 8\ndirect\n0.500000 0.500000 0.499998 Mg\n0.500001 0.999998 0.500000 Ti\n1.000000 0.499999 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.755026 0.251887 0.755024 S\n0.244975 0.244975 0.748112 S\n0.244974 0.748113 0.244974 S\n0.748112 0.244975 0.244975 S\n0.255930 0.255931 0.255930 S\n0.744070 0.744069 0.744069 S\n0.251889 0.755025 0.755024 S\n0.755026 0.755025 0.251887 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Ti",
"density": 3.163795035777442,
"density_atomic": 0.05244342973995551,
"volume": 247.8861520777994,
"volume_molar": 11.483117694363651,
"formula_full": "Mg1 Ti4 S8",
"formula_reduced": "Mg(TiS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.684302491025641,
"spacegroup": 166
},
{
"id": "jvasp-122542",
"created_at": "2022-09-04T14:38:54.398281Z",
"updated_at": "2022-09-04T14:38:54.398307Z",
"structure_string": "Sn7 B1\n1.0\n6.281802 -0.000000 -0.000000\n0.000000 6.281802 0.000000\n0.000000 0.000000 6.281802\nSn B\n7 1\ndirect\n0.216303 0.216303 0.716303 Sn\n0.000000 0.500000 0.000000 Sn\n0.216303 0.783697 0.283697 Sn\n0.500000 0.000000 0.000000 Sn\n0.783697 0.216303 0.283697 Sn\n0.500000 0.500000 0.500000 Sn\n0.783697 0.783697 0.716303 Sn\n0.000000 0.000000 0.500000 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"B"
],
"chemical_system": "B-Sn",
"density": 5.638914192877463,
"density_atomic": 0.03227284532656845,
"volume": 247.88641717357478,
"volume_molar": 18.66008620889186,
"formula_full": "Sn7 B1",
"formula_reduced": "Sn7B",
"formula_anonymous": "AB7",
"energy_above_hull": 1.101884310416667,
"spacegroup": 215
},
{
"id": "jvasp-112187",
"created_at": "2022-09-04T14:38:46.296194Z",
"updated_at": "2022-09-04T14:38:46.296209Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.601788 -0.150949 -0.499597\n-2.044066 5.786708 -0.740957\n0.241452 -0.161513 9.417979\nSn H C Cl\n2 8 4 4\ndirect\n0.645061 0.775087 0.731977 Sn\n0.367439 0.264272 0.222201 Sn\n0.182199 0.330599 0.481020 H\n0.240376 0.900818 0.010743 H\n0.772173 0.138580 0.943414 H\n0.830293 0.708751 0.473156 H\n0.764321 0.449106 0.551677 H\n0.322580 0.167030 0.937012 H\n0.689961 0.872384 0.017163 H\n0.248174 0.590246 0.402499 H\n0.348353 0.464791 0.433822 C\n0.664140 0.574558 0.520354 C\n0.174289 0.052204 0.001247 C\n0.838251 -0.012809 0.952917 C\n0.844929 0.532264 0.150715 Cl\n0.637633 0.013725 0.303956 Cl\n0.374871 0.025634 0.650220 Cl\n0.167583 0.507119 0.803484 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.9161183513067073,
"density_atomic": 0.07261087271807926,
"volume": 247.89675879378612,
"volume_molar": 8.293717641133043,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.9846255372222226,
"spacegroup": 2
},
{
"id": "jvasp-12738",
"created_at": "2022-09-04T14:37:09.172279Z",
"updated_at": "2022-09-04T14:37:09.172295Z",
"structure_string": "Bi4 Te2 O12\n1.0\n5.463612 -0.000000 0.000000\n0.000000 5.182377 -1.660646\n-0.000000 -0.046874 8.770365\nBi Te O\n4 2 12\ndirect\n0.491549 0.827603 0.655206 Bi\n0.508450 0.172398 0.344795 Bi\n0.008450 0.327603 0.655206 Bi\n0.991549 0.672398 0.344795 Bi\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 -0.000000 Te\n0.750000 0.718690 0.937377 O\n0.250000 0.781312 0.062623 O\n0.750000 0.499866 0.499731 O\n0.418912 0.389625 0.779250 O\n0.750000 0.999866 0.499731 O\n0.750000 0.218690 0.937377 O\n0.250000 0.281311 0.062623 O\n0.081088 0.889625 0.779250 O\n0.581088 0.610376 0.220750 O\n0.918911 0.110376 0.220750 O\n0.250000 0.500135 0.500270 O\n0.250000 0.000135 0.500270 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Bi",
"Te",
"O"
],
"chemical_system": "Bi-O-Te",
"density": 8.59473273935883,
"density_atomic": 0.07260899157861118,
"volume": 247.9031812542395,
"volume_molar": 8.293932513137909,
"formula_full": "Bi4 Te2 O12",
"formula_reduced": "Bi2TeO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.114530818518519,
"spacegroup": 64
}
]
}