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=1254",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1252",
"results": [
{
"id": "jvasp-66320",
"created_at": "2022-09-04T14:36:18.959492Z",
"updated_at": "2022-09-04T14:36:18.959521Z",
"structure_string": "Ba4 Ir1 Cl1\n1.0\n-0.000000 4.769960 4.769960\n4.769960 -0.000000 4.769960\n4.769960 4.769960 -0.000000\nBa Ir Cl\n4 1 1\ndirect\n0.123150 0.625616 0.625616 Ba\n0.625616 0.625616 0.625616 Ba\n0.625616 0.123150 0.625616 Ba\n0.625616 0.625616 0.123150 Ba\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ir",
"Cl"
],
"chemical_system": "Ba-Cl-Ir",
"density": 5.9440658549415515,
"density_atomic": 0.027642482498246874,
"volume": 217.0572053497919,
"volume_molar": 21.78581739314453,
"formula_full": "Ba4 Ir1 Cl1",
"formula_reduced": "Ba4IrCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7624348412499998,
"spacegroup": 216
},
{
"id": "jvasp-31641",
"created_at": "2022-09-04T14:37:07.542170Z",
"updated_at": "2022-09-04T14:37:07.542189Z",
"structure_string": "Sn5 B2 Rh6\n1.0\n3.338120 -5.781793 -0.000000\n3.338120 5.781793 0.000000\n0.000000 0.000000 5.623132\nSn B Rh\n5 2 6\ndirect\n0.595860 0.595860 0.000000 Sn\n0.000000 0.404140 0.000000 Sn\n0.404140 0.000000 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.000000 0.748681 0.252921 Rh\n0.251319 0.251319 0.747079 Rh\n0.748681 0.000000 0.747079 Rh\n0.000000 0.748681 0.747079 Rh\n0.251319 0.251319 0.252921 Rh\n0.748681 0.000000 0.252921 Rh\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Sn",
"B",
"Rh"
],
"chemical_system": "B-Rh-Sn",
"density": 9.42975186077699,
"density_atomic": 0.059892245264479754,
"volume": 217.05648106182954,
"volume_molar": 10.054959090958551,
"formula_full": "Sn5 B2 Rh6",
"formula_reduced": "Sn5(BRh3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 2.653275512820513,
"spacegroup": 189
},
{
"id": "jvasp-112632",
"created_at": "2022-09-04T14:38:42.779184Z",
"updated_at": "2022-09-04T14:38:42.779216Z",
"structure_string": "Ta4 Cu2 O12\n1.0\n6.194751 -0.003953 -2.151230\n-3.040470 5.345894 -2.275898\n-0.010225 0.003953 6.557639\nTa Cu O\n4 2 12\ndirect\n-0.000000 0.500000 -0.000000 Ta\n0.499999 0.500000 0.500000 Ta\n-0.000001 -0.000000 0.500000 Ta\n0.500000 0.000000 0.000000 Ta\n0.500000 -0.000000 0.500000 Cu\n-0.000001 0.499999 0.499999 Cu\n0.316147 0.187147 0.503295 O\n0.683851 0.812852 0.496704 O\n0.488427 0.293968 0.194459 O\n0.511572 0.706031 0.805540 O\n0.099507 0.293968 0.805541 O\n0.822954 0.130230 0.307275 O\n0.177044 0.869769 0.692724 O\n0.683851 0.187147 0.871000 O\n0.822954 0.515679 0.692724 O\n0.177045 0.484320 0.307275 O\n0.900491 0.706032 0.194458 O\n0.316147 0.812852 0.128999 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ta",
"density": 7.978478216103978,
"density_atomic": 0.08292980896549353,
"volume": 217.05102452954722,
"volume_molar": 7.261732343439701,
"formula_full": "Ta4 Cu2 O12",
"formula_reduced": "Ta2CuO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.3339788722222226,
"spacegroup": 71
},
{
"id": "jvasp-66157",
"created_at": "2022-09-04T14:36:11.563877Z",
"updated_at": "2022-09-04T14:36:11.563904Z",
"structure_string": "Ba4 Hf1 Ta1\n1.0\n0.000000 4.769861 4.769861\n4.769861 -0.000000 4.769861\n4.769861 4.769861 0.000000\nBa Hf Ta\n4 1 1\ndirect\n0.124286 0.625238 0.625238 Ba\n0.625238 0.625238 0.625238 Ba\n0.625238 0.124286 0.625238 Ba\n0.625238 0.625238 0.124286 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Ta"
],
"chemical_system": "Ba-Hf-Ta",
"density": 6.952554257354185,
"density_atomic": 0.027644203719829764,
"volume": 217.0436906343616,
"volume_molar": 21.784460934500324,
"formula_full": "Ba4 Hf1 Ta1",
"formula_reduced": "Ba4HfTa",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.31753768,
"spacegroup": 216
},
{
"id": "jvasp-109784",
"created_at": "2022-09-04T14:38:04.594453Z",
"updated_at": "2022-09-04T14:38:04.594479Z",
"structure_string": "Ca3 Pb1 Se4\n1.0\n4.239035 -0.000000 0.000000\n0.000000 6.011399 0.000000\n-0.000000 -0.000000 8.517010\nCa Pb Se\n3 1 4\ndirect\n0.499999 0.000000 0.252343 Ca\n-0.000000 0.500000 0.500000 Ca\n0.499999 0.000000 0.747657 Ca\n-0.000000 0.500000 -0.000000 Pb\n0.000000 0.000000 0.500000 Se\n0.499999 0.500000 0.738580 Se\n0.000000 0.000000 0.000000 Se\n0.499999 0.500000 0.261420 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"Se"
],
"chemical_system": "Ca-Pb-Se",
"density": 4.921702760316521,
"density_atomic": 0.0368604194315322,
"volume": 217.03496930792954,
"volume_molar": 16.337689187682894,
"formula_full": "Ca3 Pb1 Se4",
"formula_reduced": "Ca3PbSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.4336056933333334,
"spacegroup": 47
},
{
"id": "jvasp-4573",
"created_at": "2022-09-04T14:37:55.501967Z",
"updated_at": "2022-09-04T14:37:55.501990Z",
"structure_string": "B12 C3\n1.0\n5.976302 0.189841 3.002343\n1.932133 5.658540 3.002343\n0.256710 0.189841 6.683139\nB C\n12 3\ndirect\n0.496952 0.873451 0.496952 B\n0.496952 0.496952 0.873451 B\n0.873451 0.496952 0.496952 B\n0.126548 0.503048 0.503048 B\n0.503048 0.126549 0.503048 B\n0.503047 0.503048 0.126549 B\n0.342052 0.099105 0.342052 B\n0.342052 0.342052 0.099105 B\n0.099105 0.342052 0.342052 B\n0.900895 0.657948 0.657948 B\n0.657947 0.900895 0.657948 B\n0.657947 0.657948 0.900895 B\n0.415086 0.415086 0.415086 C\n0.584913 0.584913 0.584913 C\n0.500000 0.500000 0.500000 C\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 1.2682739451561178,
"density_atomic": 0.06911379685900111,
"volume": 217.03336644348255,
"volume_molar": 8.713369882262084,
"formula_full": "B12 C3",
"formula_reduced": "B4C",
"formula_anonymous": "AB4",
"energy_above_hull": 5.286978066666668,
"spacegroup": 166
},
{
"id": "jvasp-22775",
"created_at": "2022-09-04T14:37:52.709495Z",
"updated_at": "2022-09-04T14:37:52.709522Z",
"structure_string": "Al12 Tc1\n1.0\n6.182153 0.000000 -2.185722\n-3.091077 5.353901 -2.185722\n-0.000000 -0.000000 6.557164\nAl Tc\n12 1\ndirect\n0.495924 0.307254 0.188670 Al\n0.307254 0.811330 0.118584 Al\n0.188669 0.881416 0.692745 Al\n0.692745 0.811330 0.504076 Al\n0.811330 0.118584 0.307254 Al\n0.692745 0.188670 0.881416 Al\n0.811330 0.504076 0.692745 Al\n0.188669 0.495924 0.307254 Al\n0.307254 0.188670 0.495924 Al\n0.118584 0.307254 0.811330 Al\n0.881415 0.692745 0.188670 Al\n0.504075 0.692745 0.811330 Al\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Al",
"Tc"
],
"chemical_system": "Al-Tc",
"density": 3.2270624230705027,
"density_atomic": 0.05989867575504764,
"volume": 217.03317871605023,
"volume_molar": 10.053879629371467,
"formula_full": "Al12 Tc1",
"formula_reduced": "Al12Tc",
"formula_anonymous": "AB12",
"energy_above_hull": 2.4169342384615384,
"spacegroup": 204
},
{
"id": "jvasp-104913",
"created_at": "2022-09-04T14:36:49.900127Z",
"updated_at": "2022-09-04T14:36:49.900135Z",
"structure_string": "Tl2 Fe1 Cu3 Se4\n1.0\n3.908324 0.000000 0.000000\n0.000000 3.908324 0.000000\n0.000000 0.000000 14.208146\nTl Fe Cu Se\n2 1 3 4\ndirect\n0.500000 0.000000 0.737149 Tl\n-0.000000 0.500000 0.262852 Tl\n0.500000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n-0.000000 0.500000 0.893986 Se\n0.500000 0.000000 0.390145 Se\n0.500000 0.000000 0.106014 Se\n-0.000000 0.500000 0.609856 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tl",
"Fe",
"Cu",
"Se"
],
"chemical_system": "Cu-Fe-Se-Tl",
"density": 7.430018074055527,
"density_atomic": 0.04607671084807134,
"volume": 217.02938026485836,
"volume_molar": 13.069814770105431,
"formula_full": "Tl2 Fe1 Cu3 Se4",
"formula_reduced": "Tl2FeCu3Se4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.7463925516666667,
"spacegroup": 115
},
{
"id": "jvasp-116767",
"created_at": "2022-09-04T14:38:50.398427Z",
"updated_at": "2022-09-04T14:38:50.398456Z",
"structure_string": "Li6 Nb2 V4 O12\n1.0\n5.613820 -0.086445 -1.197528\n-0.518882 5.897410 -1.668871\n0.113282 -0.194800 6.598385\nLi Nb V O\n6 2 4 12\ndirect\n0.831218 0.840632 0.321835 Li\n0.335451 0.826033 0.344834 Li\n0.003066 0.490587 0.001007 Li\n0.494494 0.520657 0.985958 Li\n0.163601 0.176080 0.665660 Li\n0.672170 0.146012 0.680703 Li\n0.815010 0.341273 0.343428 Nb\n0.351657 0.325392 0.323236 Nb\n0.473546 0.006005 0.008611 V\n0.142955 0.688569 0.688738 V\n0.023707 0.978096 0.977927 V\n0.693124 0.660661 0.658053 V\n0.073873 0.087893 0.318170 O\n0.758914 0.216784 0.004870 O\n0.243450 0.249128 -0.016350 O\n0.923216 0.417537 0.683016 O\n0.407751 0.449883 0.661796 O\n0.915588 0.922371 0.661200 O\n0.423400 0.893683 0.684624 O\n0.251076 0.744293 0.005465 O\n0.743270 0.772980 0.982040 O\n0.092796 0.578775 0.348497 O\n0.583728 0.604547 0.327150 O\n0.582938 0.062122 0.339519 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.76842446313811,
"density_atomic": 0.11058529222585634,
"volume": 217.02705230441555,
"volume_molar": 5.4456977404378035,
"formula_full": "Li6 Nb2 V4 O12",
"formula_reduced": "Li3NbV2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.9220040666666667,
"spacegroup": 2
},
{
"id": "jvasp-29289",
"created_at": "2022-09-04T14:38:01.092390Z",
"updated_at": "2022-09-04T14:38:01.092405Z",
"structure_string": "Zn1 C2 S2 O6 F6\n1.0\n10.744589 0.011857 0.007101\n9.613978 4.797683 0.007101\n9.613978 2.271221 4.226035\nZn C S O F\n1 2 2 6 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.778316 0.778315 0.778314 C\n0.221685 0.221685 0.221685 C\n0.281547 0.281547 0.281547 S\n0.718454 0.718453 0.718452 S\n0.266373 0.019205 0.593042 O\n0.593043 0.266373 0.019204 O\n0.406958 0.733628 0.980794 O\n0.733629 0.980796 0.406956 O\n0.980796 0.406957 0.733627 O\n0.019205 0.593043 0.266372 O\n0.059980 0.773748 0.544354 F\n0.544356 0.059980 0.773747 F\n0.773749 0.544355 0.059979 F\n0.226253 0.455645 0.940020 F\n0.455646 0.940021 0.226251 F\n0.940021 0.226252 0.455644 F\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Zn",
"C",
"S",
"O",
"F"
],
"chemical_system": "C-F-O-S-Zn",
"density": 2.781676888651791,
"density_atomic": 0.0783331658688457,
"volume": 217.0217405544841,
"volume_molar": 7.687855703525316,
"formula_full": "Zn1 C2 S2 O6 F6",
"formula_reduced": "ZnC2S2(OF)6",
"formula_anonymous": "AB2C2D6E6",
"energy_above_hull": 1.967231358529412,
"spacegroup": 148
},
{
"id": "jvasp-79653",
"created_at": "2022-09-04T14:36:42.353836Z",
"updated_at": "2022-09-04T14:36:42.353861Z",
"structure_string": "Sn1 I3\n1.0\n6.009233 -0.000000 -0.000000\n-0.000000 6.009233 0.000000\n-0.000000 -0.000000 6.009233\nSn I\n1 3\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"I"
],
"chemical_system": "I-Sn",
"density": 3.821737576869435,
"density_atomic": 0.018433290216525944,
"volume": 216.99869925629943,
"volume_molar": 32.669917791458566,
"formula_full": "Sn1 I3",
"formula_reduced": "SnI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0675925,
"spacegroup": 221
},
{
"id": "jvasp-117068",
"created_at": "2022-09-04T14:38:49.872900Z",
"updated_at": "2022-09-04T14:38:49.872928Z",
"structure_string": "La2 Mg2 Fe2 Cu2 O12\n1.0\n5.174842 0.125048 0.000034\n-0.207746 7.824519 -0.000279\n-0.000040 0.000192 5.355620\nLa Mg Fe Cu O\n2 2 2 2 12\ndirect\n0.989363 0.250566 0.040252 La\n0.489364 0.750569 0.459747 La\n0.533319 0.246471 0.559033 Mg\n0.033318 0.746472 0.940968 Mg\n0.501871 0.502500 0.992693 Fe\n0.001872 0.002500 0.507307 Fe\n0.496676 0.000193 0.004756 Cu\n0.996674 0.500194 0.495242 Cu\n0.769497 0.064292 0.761076 O\n0.269496 0.564293 0.738922 O\n0.427231 0.274566 0.949878 O\n0.927230 0.774566 0.550120 O\n0.697927 0.055878 0.306970 O\n0.139246 0.222649 0.485045 O\n0.680984 0.438406 0.293837 O\n0.180983 0.938406 0.206163 O\n0.263881 0.944476 0.737998 O\n0.639245 0.722649 0.014954 O\n0.197926 0.555878 0.193030 O\n0.763883 0.444475 0.761999 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-La-Mg-O",
"density": 5.794476589040878,
"density_atomic": 0.09216943999655323,
"volume": 216.99166232048194,
"volume_molar": 6.533771671201652,
"formula_full": "La2 Mg2 Fe2 Cu2 O12",
"formula_reduced": "LaMgFeCuO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.0064321,
"spacegroup": 7
}
]
}