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_anonymous&page=1164",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1162",
"results": [
{
"id": "jvasp-28478",
"created_at": "2022-09-04T14:37:17.516773Z",
"updated_at": "2022-09-04T14:37:17.516792Z",
"structure_string": "Mo1 W2 Se2 S4\n1.0\n3.233944 0.000000 -0.000000\n-1.616971 2.800680 -0.000000\n-0.000000 -0.000000 27.872976\nMo W Se S\n1 2 2 4\ndirect\n0.666656 0.333313 0.346982 Mo\n0.333333 0.666667 0.115367 W\n0.333333 0.666667 0.578598 W\n0.333315 0.666631 0.408213 Se\n0.333315 0.666631 0.285752 Se\n0.666663 0.333327 0.059398 S\n0.666659 0.333318 0.522567 S\n0.666659 0.333318 0.171398 S\n0.666663 0.333327 0.634567 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.931910733887916,
"density_atomic": 0.035650299545135586,
"volume": 252.45229675014141,
"volume_molar": 16.892258513496024,
"formula_full": "Mo1 W2 Se2 S4",
"formula_reduced": "MoW2(SeS2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 4.150174737037037,
"spacegroup": 187
},
{
"id": "jvasp-28515",
"created_at": "2022-09-04T14:37:07.132235Z",
"updated_at": "2022-09-04T14:37:07.132248Z",
"structure_string": "Te2 Mo1 W2 S4\n1.0\n3.308792 0.000010 -0.000001\n-1.654388 2.865504 0.000002\n-0.000019 0.000014 30.334465\nTe Mo W S\n2 1 2 4\ndirect\n0.666640 0.333284 0.514816 Te\n0.666643 0.333286 0.641597 Te\n0.666691 0.333381 0.346946 Mo\n0.333311 0.666620 0.115741 W\n0.333307 0.666619 0.578298 W\n0.333358 0.666712 0.397306 S\n0.666642 0.333285 0.065233 S\n0.666643 0.333289 0.166331 S\n0.333357 0.666713 0.296573 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 4.890642771754684,
"density_atomic": 0.03129211558495675,
"volume": 287.6123851570657,
"volume_molar": 19.244914085946494,
"formula_full": "Te2 Mo1 W2 S4",
"formula_reduced": "Te2Mo(WS2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 4.053580159259258,
"spacegroup": 156
},
{
"id": "jvasp-28476",
"created_at": "2022-09-04T14:37:17.458414Z",
"updated_at": "2022-09-04T14:37:17.458430Z",
"structure_string": "Mo1 W2 Se4 S2\n1.0\n3.279431 -0.000004 -0.000026\n-1.639719 2.840083 0.000104\n-0.000251 0.000779 27.922468\nMo W Se S\n1 2 4 2\ndirect\n0.666784 0.333571 0.344250 Mo\n0.333204 0.666537 0.114560 W\n0.333316 0.666506 0.582140 W\n0.333443 0.666864 0.404782 Se\n0.666662 0.333221 0.521229 Se\n0.666638 0.333131 0.642973 Se\n0.333469 0.666957 0.283729 Se\n0.666541 0.333223 0.059224 S\n0.666545 0.333192 0.169952 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.386386274537974,
"density_atomic": 0.03460664387888485,
"volume": 260.0656692251896,
"volume_molar": 17.4016896324188,
"formula_full": "Mo1 W2 Se4 S2",
"formula_reduced": "MoW2(Se2S)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 4.030777707407408,
"spacegroup": 156
},
{
"id": "jvasp-28466",
"created_at": "2022-09-04T14:37:07.015178Z",
"updated_at": "2022-09-04T14:37:07.015188Z",
"structure_string": "Mo1 W2 Se4 S2\n1.0\n3.281595 0.000000 -0.000000\n-1.640797 2.841859 -0.000000\n0.000000 -0.000000 20.016525\nMo W Se S\n1 2 4 2\ndirect\n0.665818 0.331638 0.346982 Mo\n0.333742 0.667487 0.027008 W\n0.333742 0.667487 0.666957 W\n0.667084 0.334171 -0.057896 Se\n0.667080 0.334162 0.582049 Se\n0.667080 0.334162 0.111916 Se\n0.667084 0.334171 0.751860 Se\n0.332480 0.664963 0.423871 S\n0.332480 0.664963 0.270094 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 7.504198775025768,
"density_atomic": 0.048213240077357146,
"volume": 186.67071504756134,
"volume_molar": 12.49063690873627,
"formula_full": "Mo1 W2 Se4 S2",
"formula_reduced": "MoW2(Se2S)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 4.030912151851852,
"spacegroup": 187
},
{
"id": "jvasp-56953",
"created_at": "2022-09-04T14:37:29.983219Z",
"updated_at": "2022-09-04T14:37:29.983238Z",
"structure_string": "Rb2 Pd1 I2 Br4\n1.0\n6.829511 0.007271 -2.675316\n-3.652567 6.043290 -1.984185\n0.004394 -0.007271 7.334816\nRb Pd I Br\n2 1 2 4\ndirect\n0.499999 0.250000 0.750000 Rb\n0.499999 0.750000 0.250000 Rb\n0.000000 0.000000 0.000000 Pd\n-0.000000 0.332001 0.332001 I\n-0.000001 0.667999 0.668000 I\n-0.000001 0.787829 0.212172 Br\n0.575656 0.787829 0.787829 Br\n-0.000001 0.212171 0.787829 Br\n0.424343 0.212171 0.212171 Br\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Rb",
"Pd",
"I",
"Br"
],
"chemical_system": "Br-I-Pd-Rb",
"density": 4.66526586658013,
"density_atomic": 0.02972023662761507,
"volume": 302.8239684887803,
"volume_molar": 20.262761819347105,
"formula_full": "Rb2 Pd1 I2 Br4",
"formula_reduced": "Rb2Pd(IBr2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-52874",
"created_at": "2022-09-04T14:37:06.351986Z",
"updated_at": "2022-09-04T14:37:06.352010Z",
"structure_string": "Ba2 H8 Br4 O4\n1.0\n4.828167 3.545454 -2.090145\n-4.828167 3.545454 2.090145\n-0.007890 0.000000 8.367172\nBa H Br O\n2 8 4 4\ndirect\n0.899191 0.899191 0.750000 Ba\n0.100808 0.100808 0.250000 Ba\n0.604941 0.753266 0.368133 H\n0.395058 0.246733 0.631867 H\n0.246733 0.395058 0.868132 H\n0.753266 0.604941 0.131867 H\n0.590354 0.767336 0.049572 H\n0.232663 0.409645 0.549572 H\n0.409645 0.232663 0.950428 H\n0.767336 0.590354 0.450428 H\n0.741728 0.304926 0.852481 Br\n0.304926 0.741728 0.647519 Br\n0.258271 0.695073 0.147519 Br\n0.695073 0.258271 0.352481 Br\n0.748509 0.762709 0.058287 O\n0.251490 0.237290 0.941712 O\n0.237290 0.251490 0.558287 O\n0.762709 0.748509 0.441712 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"H",
"Br",
"O"
],
"chemical_system": "Ba-Br-H-O",
"density": 3.864147419711865,
"density_atomic": 0.0628618267693806,
"volume": 286.3422990559293,
"volume_molar": 9.579964613649006,
"formula_full": "Ba2 H8 Br4 O4",
"formula_reduced": "BaH4(BrO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.768442353333333,
"spacegroup": 15
},
{
"id": "jvasp-90191",
"created_at": "2022-09-04T14:36:21.124142Z",
"updated_at": "2022-09-04T14:36:21.124168Z",
"structure_string": "Rb2 Mn1 Cl4 O2\n1.0\n5.663518 0.230622 0.475173\n0.853679 5.986423 2.810406\n0.326174 0.412261 6.622972\nRb Mn Cl O\n2 1 4 2\ndirect\n0.782875 0.830795 0.859449 Rb\n0.217125 0.169204 0.140551 Rb\n-0.000000 0.500000 0.500000 Mn\n0.238984 0.131229 0.652096 Cl\n0.761016 0.868770 0.347904 Cl\n0.721816 0.365429 0.812176 Cl\n0.278184 0.634570 0.187824 Cl\n0.142390 0.577283 0.646412 O\n0.857610 0.422716 0.353588 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Rb",
"density": 3.070774288322786,
"density_atomic": 0.04164127906347061,
"volume": 216.1316895737518,
"volume_molar": 14.461949525663975,
"formula_full": "Rb2 Mn1 Cl4 O2",
"formula_reduced": "Rb2Mn(Cl2O)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.8438589457088121,
"spacegroup": 2
},
{
"id": "jvasp-3756",
"created_at": "2022-09-04T14:36:22.280808Z",
"updated_at": "2022-09-04T14:36:22.280825Z",
"structure_string": "Co1 H4 Br2 O2\n1.0\n3.739447 0.046836 -0.368942\n-0.652215 5.628243 -0.759588\n0.056100 0.039198 5.716593\nCo H Br O\n1 4 2 2\ndirect\n-0.000000 0.000000 -0.000000 Co\n0.845861 0.214958 0.614869 H\n0.154119 0.385187 0.785102 H\n0.845884 0.614814 0.214898 H\n0.154141 0.785042 0.385131 H\n0.437900 0.756289 0.756250 Br\n0.562102 0.243712 0.243750 Br\n0.000046 0.767045 0.232871 O\n-0.000047 0.232954 0.767128 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Co",
"H",
"Br",
"O"
],
"chemical_system": "Br-Co-H-O",
"density": 3.5043366430709315,
"density_atomic": 0.07455005241088357,
"volume": 120.72426120368615,
"volume_molar": 8.077983267951167,
"formula_full": "Co1 H4 Br2 O2",
"formula_reduced": "CoH4(BrO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.312539567777778,
"spacegroup": 12
},
{
"id": "jvasp-85795",
"created_at": "2022-09-04T14:36:15.624083Z",
"updated_at": "2022-09-04T14:36:15.624103Z",
"structure_string": "Ba2 Sn4 H4 O8\n1.0\n7.251662 0.000000 -2.341831\n0.000000 5.823445 0.000000\n-0.011742 0.000000 7.269780\nBa Sn H O\n2 4 4 8\ndirect\n0.565876 0.504147 0.811877 Ba\n0.434124 0.004147 0.188123 Ba\n0.852256 0.504404 0.353618 Sn\n0.147744 0.004403 0.646382 Sn\n0.107120 0.504376 0.911955 Sn\n0.892880 0.004376 0.088045 Sn\n0.785351 0.004303 0.703154 H\n0.214649 0.504303 0.296846 H\n0.511852 0.504636 0.365417 H\n0.488148 0.004635 0.634583 H\n0.288494 0.504579 0.207497 O\n0.276555 0.253280 0.853820 O\n0.723445 0.753280 0.146180 O\n0.723365 0.255224 0.146498 O\n0.276635 0.755224 0.853502 O\n0.632970 0.505055 0.470202 O\n0.367030 0.005055 0.529799 O\n0.711506 0.004579 0.792503 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Sn",
"H",
"O"
],
"chemical_system": "Ba-H-O-Sn",
"density": 4.770561823108118,
"density_atomic": 0.05866246295872692,
"volume": 306.8401681781455,
"volume_molar": 10.265748242171473,
"formula_full": "Ba2 Sn4 H4 O8",
"formula_reduced": "BaSn2(HO2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.832128152222222,
"spacegroup": 11
},
{
"id": "jvasp-86288",
"created_at": "2022-09-04T14:35:56.387056Z",
"updated_at": "2022-09-04T14:35:56.387072Z",
"structure_string": "Tb2 Al4 Ni1 Ge2\n1.0\n4.069120 0.000000 -0.850538\n-0.177781 4.065234 -0.850538\n-0.001019 -0.001065 10.154078\nTb Al Ni Ge\n2 4 1 2\ndirect\n0.813585 0.813583 0.627169 Tb\n0.186415 0.186415 0.372831 Tb\n0.932593 0.432591 0.865185 Al\n0.432593 0.932591 0.865185 Al\n0.567407 0.067407 0.134815 Al\n0.067407 0.567407 0.134814 Al\n0.000000 0.000000 0.000000 Ni\n0.662839 0.662838 0.325678 Ge\n0.337161 0.337160 0.674322 Ge\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Tb",
"Al",
"Ni",
"Ge"
],
"chemical_system": "Al-Ge-Ni-Tb",
"density": 6.226012151670532,
"density_atomic": 0.05358398694028184,
"volume": 167.96062618539938,
"volume_molar": 11.23869481140241,
"formula_full": "Tb2 Al4 Ni1 Ge2",
"formula_reduced": "Tb2Al4NiGe2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.5373669222222222,
"spacegroup": 139
},
{
"id": "jvasp-85646",
"created_at": "2022-09-04T14:35:56.181220Z",
"updated_at": "2022-09-04T14:35:56.181240Z",
"structure_string": "H8 S2 N4 O4\n1.0\n4.473350 8.366970 -0.000315\n0.000114 8.366810 2.249906\n4.473285 -0.000125 2.250698\nH S N O\n8 2 4 4\ndirect\n0.686200 0.707134 0.098262 H\n0.510196 0.099500 0.705875 H\n0.151930 0.741421 0.564048 H\n0.544352 0.565373 0.740070 H\n0.407946 0.879865 0.049442 H\n0.664531 0.050727 0.878576 H\n0.200777 0.587044 0.842274 H\n0.371644 0.843615 0.585690 H\n0.989586 0.011978 0.010602 S\n0.239629 0.261926 0.260629 S\n0.436158 0.919413 0.192307 N\n0.453918 0.193578 0.918117 N\n0.057906 0.797680 0.814069 N\n0.332094 0.815417 0.796316 N\n0.919793 0.515676 0.331635 O\n0.234809 0.332869 0.514293 O\n0.918615 0.016850 0.330403 O\n0.735884 0.331802 0.015459 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 1.8947428731327125,
"density_atomic": 0.10685130149113767,
"volume": 168.45840667175153,
"volume_molar": 5.636001317681172,
"formula_full": "H8 S2 N4 O4",
"formula_reduced": "H4S(NO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.531737055555556,
"spacegroup": 43
},
{
"id": "jvasp-86891",
"created_at": "2022-09-04T14:35:49.221824Z",
"updated_at": "2022-09-04T14:35:49.221853Z",
"structure_string": "Tb2 Al4 Ni1 Ge2\n1.0\n4.069120 0.000000 -0.850538\n-0.177781 4.065234 -0.850538\n-0.001019 -0.001065 10.154078\nTb Al Ni Ge\n2 4 1 2\ndirect\n0.813585 0.813583 0.627169 Tb\n0.186415 0.186415 0.372831 Tb\n0.932593 0.432591 0.865185 Al\n0.432593 0.932591 0.865185 Al\n0.567407 0.067407 0.134815 Al\n0.067407 0.567407 0.134814 Al\n0.000000 0.000000 0.000000 Ni\n0.662839 0.662838 0.325678 Ge\n0.337161 0.337160 0.674322 Ge\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Tb",
"Al",
"Ni",
"Ge"
],
"chemical_system": "Al-Ge-Ni-Tb",
"density": 6.226012151670532,
"density_atomic": 0.05358398694028184,
"volume": 167.96062618539938,
"volume_molar": 11.23869481140241,
"formula_full": "Tb2 Al4 Ni1 Ge2",
"formula_reduced": "Tb2Al4NiGe2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.5373669222222222,
"spacegroup": 139
}
]
}