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=-elements&page=332",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=330",
"results": [
{
"id": "jvasp-109816",
"created_at": "2022-09-04T14:38:20.477403Z",
"updated_at": "2022-09-04T14:38:20.477426Z",
"structure_string": "Mn1 H4 Cl2 O2\n1.0\n5.599396 -0.061323 0.651352\n-0.966451 5.515702 0.651352\n-0.095692 -0.112658 3.669887\nMn H Cl O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.602117 0.229201 0.162779 H\n0.770800 0.397884 0.837221 H\n0.397885 0.770799 0.837221 H\n0.229201 0.602116 0.162779 H\n0.753123 0.753122 0.553437 Cl\n0.246878 0.246878 0.446563 Cl\n0.754332 0.245669 -0.000001 O\n0.245669 0.754331 -0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mn",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Mn-O",
"density": 2.358819948798942,
"density_atomic": 0.07897860932334008,
"volume": 113.954905981616,
"volume_molar": 7.625027601265084,
"formula_full": "Mn1 H4 Cl2 O2",
"formula_reduced": "MnH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.45432470848659,
"spacegroup": 12
},
{
"id": "jvasp-27170",
"created_at": "2022-09-04T14:38:04.676690Z",
"updated_at": "2022-09-04T14:38:04.676722Z",
"structure_string": "Mn1 H4 Cl2 O2\n1.0\n3.659156 0.105066 -0.420452\n-0.778825 5.528735 -0.843088\n0.126970 -0.053920 5.644931\nMn H Cl O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.837174 0.601526 0.229129 H\n0.162825 0.770871 0.398473 H\n0.162826 0.398474 0.770871 H\n0.837175 0.229129 0.601526 H\n0.444996 0.753993 0.753993 Cl\n0.555003 0.246007 0.246006 Cl\n-0.000001 0.753960 0.246039 O\n-0.000000 0.246039 0.753960 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mn",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Mn-O",
"density": 2.3422387628747305,
"density_atomic": 0.07842343383998335,
"volume": 114.76161600324426,
"volume_molar": 7.679006726851173,
"formula_full": "Mn1 H4 Cl2 O2",
"formula_reduced": "MnH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.4549480418199234,
"spacegroup": 12
},
{
"id": "jvasp-32226",
"created_at": "2022-09-04T14:35:45.508125Z",
"updated_at": "2022-09-04T14:35:45.508144Z",
"structure_string": "Mn2 H8 C4 O12\n1.0\n5.364629 0.000146 1.940825\n2.618321 5.667154 1.147761\n0.042008 0.012767 8.268410\nMn H C O\n2 8 4 12\ndirect\n0.938542 0.249995 0.750003 Mn\n0.061460 0.750004 0.249996 Mn\n0.010817 0.798915 0.856674 H\n0.666417 0.701078 0.643317 H\n0.156220 0.802048 0.649566 H\n0.333583 0.298922 0.356682 H\n0.843779 0.197953 0.350433 H\n0.392174 0.302047 0.149571 H\n0.989184 0.201086 0.143326 H\n0.607825 0.697954 0.850427 H\n0.511655 0.751933 0.350171 C\n0.386242 0.251928 0.850174 C\n0.488347 0.248070 0.649829 C\n0.613756 0.748073 0.149825 C\n0.671288 0.755789 0.423170 O\n0.328711 0.244213 0.576830 O\n0.277353 0.750868 0.425101 O\n0.149755 0.255786 0.923176 O\n0.722648 0.249133 0.574898 O\n0.850247 0.744217 0.076823 O\n0.250546 0.364821 0.260828 O\n0.876187 0.135194 0.239171 O\n0.123813 0.864805 0.760829 O\n0.546684 0.250863 0.925102 O\n0.453317 0.749139 0.074898 O\n0.749453 0.635179 0.739170 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mn",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mn-O",
"density": 2.3692099912951976,
"density_atomic": 0.1036274600202694,
"volume": 250.89874821706942,
"volume_molar": 5.811336839503812,
"formula_full": "Mn2 H8 C4 O12",
"formula_reduced": "MnH4(CO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 3.7917475570291774,
"spacegroup": 15
},
{
"id": "jvasp-3750",
"created_at": "2022-09-04T14:37:51.272628Z",
"updated_at": "2022-09-04T14:37:51.272642Z",
"structure_string": "Mn1 H4 Br2 O2\n1.0\n3.865717 -0.008647 -0.344296\n-0.598040 5.751040 -0.806721\n-0.020616 0.042406 5.839366\nMn H Br O\n1 4 2 2\ndirect\n-0.000007 -0.000006 -0.000013 Mn\n0.845399 0.226056 0.613386 H\n0.154585 0.386987 0.774320 H\n0.845412 0.613013 0.225675 H\n0.154599 0.773948 0.386617 H\n0.445106 0.750728 0.750456 Br\n0.554902 0.249274 0.249563 Br\n0.000159 0.759681 0.239818 O\n0.999848 0.240322 0.760180 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mn",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-Mn-O",
"density": 3.205977568356813,
"density_atomic": 0.06928941149453459,
"volume": 129.88997605658554,
"volume_molar": 8.69128576806431,
"formula_full": "Mn1 H4 Br2 O2",
"formula_reduced": "MnH4(BrO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.418776939042145,
"spacegroup": 12
},
{
"id": "jvasp-37190",
"created_at": "2022-09-04T14:35:53.921928Z",
"updated_at": "2022-09-04T14:35:53.921951Z",
"structure_string": "Mn1 Ga1 Fe1 Co1\n1.0\n2.848077 2.848077 -0.000000\n2.848077 -0.000000 -2.848077\n0.000000 2.848077 -2.848077\nMn Ga Fe Co\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ga\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Mn",
"Ga",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Ga-Mn",
"density": 8.6051658948785,
"density_atomic": 0.08657147475078539,
"volume": 46.20459581536367,
"volume_molar": 6.956264493975675,
"formula_full": "Mn1 Ga1 Fe1 Co1",
"formula_reduced": "MnGaFeCo",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.597793991594828,
"spacegroup": 216
},
{
"id": "jvasp-101147",
"created_at": "2022-09-04T14:36:51.275474Z",
"updated_at": "2022-09-04T14:36:51.275503Z",
"structure_string": "Mn1 Ga1 Cu2 Se4\n1.0\n5.124943 -0.009527 -4.643190\n-1.013784 5.023681 -4.643190\n0.007811 0.009527 6.915503\nMn Ga Cu Se\n1 1 2 4\ndirect\n0.750000 0.250000 0.499999 Mn\n0.500000 0.500000 -0.000000 Ga\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.124795 0.118936 0.494056 Se\n0.624879 0.630739 0.505943 Se\n0.369261 0.875205 0.994140 Se\n0.881064 0.375120 0.005859 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mn",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-Mn-Se",
"density": 5.282112024798793,
"density_atomic": 0.044834407207254866,
"volume": 178.4343877464155,
"volume_molar": 13.431962492916666,
"formula_full": "Mn1 Ga1 Cu2 Se4",
"formula_reduced": "MnGa(CuSe2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.190547991630747,
"spacegroup": 82
},
{
"id": "jvasp-44655",
"created_at": "2022-09-04T14:38:07.565931Z",
"updated_at": "2022-09-04T14:38:07.565958Z",
"structure_string": "Mn1 Fe3 P4 O16\n1.0\n0.000000 4.811175 -0.000588\n5.842601 0.000000 0.000000\n0.000000 -0.070913 -9.828547\nMn Fe P O\n1 3 4 16\ndirect\n0.073299 0.000000 0.720829 Mn\n0.441398 0.000000 0.225996 Fe\n0.561891 0.500000 0.775816 Fe\n0.941813 0.500000 0.274965 Fe\n0.106893 0.500000 0.591828 P\n0.386558 0.500000 0.091496 P\n0.610990 0.000000 0.904419 P\n0.893619 0.000000 0.410419 P\n0.743419 0.793906 0.338736 O\n0.795719 0.500000 0.617658 O\n0.698968 0.500000 0.120896 O\n0.757644 0.207173 0.833356 O\n0.757644 0.792827 0.833356 O\n0.653854 0.000000 0.058505 O\n0.333236 0.500000 0.938448 O\n0.205208 0.000000 0.382981 O\n0.240189 0.293361 0.164596 O\n0.294277 0.000000 0.876678 O\n0.743419 0.206094 0.338736 O\n0.256072 0.706841 0.665576 O\n0.256072 0.293159 0.665576 O\n0.165769 0.500000 0.439554 O\n0.240189 0.706639 0.164596 O\n0.841858 0.000000 0.564987 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-O-P",
"density": 3.6204041249211194,
"density_atomic": 0.08686886699901791,
"volume": 276.2784968781892,
"volume_molar": 6.932449988173649,
"formula_full": "Mn1 Fe3 P4 O16",
"formula_reduced": "MnFe3(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 3.374685489224138,
"spacegroup": 6
},
{
"id": "jvasp-48649",
"created_at": "2022-09-04T14:35:54.809027Z",
"updated_at": "2022-09-04T14:35:54.809047Z",
"structure_string": "Mn2 Fe2 P4 O16\n1.0\n4.811568 0.000000 0.000000\n0.000000 5.875003 0.000000\n0.000000 0.000000 9.780803\nMn Fe P O\n2 2 4 16\ndirect\n0.576993 0.000000 0.531529 Mn\n0.076992 0.500000 0.468471 Mn\n0.940272 0.000000 0.024215 Fe\n0.440272 0.500000 0.975784 Fe\n0.607378 0.500000 0.654963 P\n0.107377 0.000000 0.345036 P\n0.890656 0.500000 0.159437 P\n0.390656 0.000000 0.840563 P\n0.242173 0.794311 0.911981 O\n0.242173 0.205688 0.911981 O\n0.742173 0.294311 0.088019 O\n0.742173 0.705688 0.088019 O\n0.202944 0.500000 0.132699 O\n0.156177 0.000000 0.191192 O\n0.838685 0.500000 0.315093 O\n0.755476 0.294221 0.583071 O\n0.255475 0.794220 0.416928 O\n0.255475 0.205779 0.416928 O\n0.702944 0.000000 0.867301 O\n0.755476 0.705779 0.583071 O\n0.291993 0.500000 0.627821 O\n0.338685 0.000000 0.684907 O\n0.791993 0.000000 0.372179 O\n0.656177 0.500000 0.808807 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-O-P",
"density": 3.612272500996788,
"density_atomic": 0.08680445394886321,
"volume": 276.4835087164822,
"volume_molar": 6.937594197122263,
"formula_full": "Mn2 Fe2 P4 O16",
"formula_reduced": "MnFe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.181568478448276,
"spacegroup": 31
},
{
"id": "jvasp-117430",
"created_at": "2022-09-04T14:38:49.871318Z",
"updated_at": "2022-09-04T14:38:49.871340Z",
"structure_string": "Mn3 Fe1 P4 O16\n1.0\n5.883557 -0.000000 0.000000\n0.000000 4.790427 0.029751\n-0.000000 0.013187 9.713774\nMn Fe P O\n3 1 4 16\ndirect\n0.500000 0.913254 0.283340 Mn\n0.500000 0.582621 0.782005 Mn\n-0.000000 0.416283 0.216266 Mn\n-0.000000 0.067266 0.722161 Fe\n-0.000000 0.885634 0.404653 P\n-0.000000 0.610169 0.909590 P\n0.500000 0.392848 0.094004 P\n0.500000 0.113054 0.593458 P\n0.706929 0.260205 0.662876 O\n-0.000000 0.203025 0.377152 O\n-0.000000 0.297606 0.883562 O\n0.293605 0.242874 0.163328 O\n0.706396 0.242874 0.163328 O\n0.500000 0.347164 0.937044 O\n-0.000000 0.665713 0.065351 O\n0.500000 0.794888 0.621131 O\n0.204468 0.763064 0.836883 O\n0.500000 0.709419 0.119869 O\n0.293072 0.260205 0.662876 O\n0.793605 0.738228 0.333952 O\n0.206395 0.738228 0.333952 O\n-0.000000 0.837523 0.560174 O\n0.795533 0.763064 0.836883 O\n0.500000 0.154806 0.436153 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-O-P",
"density": 3.6424686811340097,
"density_atomic": 0.08766227083964286,
"volume": 273.77798647153753,
"volume_molar": 6.869706548004062,
"formula_full": "Mn3 Fe1 P4 O16",
"formula_reduced": "Mn3Fe(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 3.456034384339081,
"spacegroup": 6
},
{
"id": "jvasp-119359",
"created_at": "2022-09-04T14:38:31.346874Z",
"updated_at": "2022-09-04T14:38:31.346902Z",
"structure_string": "Mn1 Fe3 P4 O16\n1.0\n5.823973 -0.000000 0.000000\n0.000000 4.795961 0.033863\n-0.000000 -0.004254 9.802235\nMn Fe P O\n1 3 4 16\ndirect\n-0.000000 0.073285 0.278631 Mn\n-0.000000 0.439412 0.773857 Fe\n0.500000 0.563422 0.224379 Fe\n0.500000 0.939750 0.724971 Fe\n0.500000 0.108464 0.409030 P\n0.500000 0.384716 0.909255 P\n-0.000000 0.613442 0.094922 P\n-0.000000 0.891569 0.588649 P\n0.793083 0.740555 0.660347 O\n0.500000 0.796075 0.383615 O\n0.500000 0.698232 0.880186 O\n0.207576 0.761668 0.166575 O\n0.792423 0.761668 0.166575 O\n-0.000000 0.657519 0.940623 O\n0.500000 0.330711 0.062796 O\n-0.000000 0.204302 0.615670 O\n0.292483 0.237441 0.836156 O\n-0.000000 0.295721 0.122576 O\n0.206916 0.740555 0.660347 O\n0.707877 0.258025 0.334830 O\n0.292123 0.258025 0.334830 O\n0.500000 0.169507 0.561499 O\n0.707517 0.237441 0.836156 O\n-0.000000 0.838504 0.433532 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-O-P",
"density": 3.65327780939094,
"density_atomic": 0.08765764626935386,
"volume": 273.7924302262572,
"volume_molar": 6.870068974354164,
"formula_full": "Mn1 Fe3 P4 O16",
"formula_reduced": "MnFe3(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 3.374404239224138,
"spacegroup": 6
},
{
"id": "jvasp-44651",
"created_at": "2022-09-04T14:38:05.816051Z",
"updated_at": "2022-09-04T14:38:05.816078Z",
"structure_string": "Mn2 Fe2 P4 O16\n1.0\n0.000000 4.676939 0.036354\n5.647329 0.000000 0.000000\n0.000000 -0.195087 -9.623738\nMn Fe P O\n2 2 4 16\ndirect\n0.567275 0.250000 0.229846 Mn\n0.432725 0.750000 0.770155 Mn\n0.945526 0.250000 0.728145 Fe\n0.054474 0.750000 0.271856 Fe\n0.883362 0.750000 0.584212 P\n0.612822 0.750000 0.091640 P\n0.387177 0.250000 0.908360 P\n0.116638 0.250000 0.415789 P\n0.260646 0.465654 0.339867 O\n0.209659 0.750000 0.607899 O\n0.293886 0.750000 0.115156 O\n0.219682 0.040482 0.832255 O\n0.219682 0.459518 0.832255 O\n0.333794 0.250000 0.064250 O\n0.666206 0.750000 0.935751 O\n0.790341 0.250000 0.392102 O\n0.780318 0.959518 0.167746 O\n0.706114 0.250000 0.884844 O\n0.260646 0.034346 0.339867 O\n0.739353 0.534346 0.660133 O\n0.739353 0.965654 0.660133 O\n0.815510 0.750000 0.428469 O\n0.780318 0.540482 0.167746 O\n0.184490 0.250000 0.571532 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-O-P",
"density": 3.929792220167712,
"density_atomic": 0.09443458867237116,
"volume": 254.14416833290775,
"volume_molar": 6.377049812641271,
"formula_full": "Mn2 Fe2 P4 O16",
"formula_reduced": "MnFe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.1880851451149423,
"spacegroup": 11
},
{
"id": "jvasp-44389",
"created_at": "2022-09-04T14:38:11.105912Z",
"updated_at": "2022-09-04T14:38:11.105937Z",
"structure_string": "Mn2 Fe3 Co3 O16\n1.0\n5.579642 -0.000484 0.001238\n-2.789367 4.859806 0.084478\n-0.002102 -0.153420 8.611279\nMn Fe Co O\n2 3 3 16\ndirect\n0.663880 0.327780 0.486887 Mn\n0.331811 0.663639 0.991007 Mn\n0.834254 0.668522 0.210402 Fe\n0.168510 0.832954 0.712284 Fe\n0.664424 0.832953 0.712287 Fe\n0.336293 0.169789 0.208614 Co\n0.833480 0.169790 0.208616 Co\n0.167042 0.334100 0.708842 Co\n0.166107 0.828067 0.101090 O\n0.334367 0.668752 0.600030 O\n0.480357 0.520035 0.838587 O\n0.039666 0.520040 0.838584 O\n0.833864 0.667751 0.598936 O\n0.166820 0.333665 0.100197 O\n0.959113 0.480262 0.340036 O\n-0.000523 -0.001039 0.317540 O\n0.832143 0.164515 0.600419 O\n-0.000549 -0.001083 0.820327 O\n0.482458 0.964937 0.842350 O\n0.670057 0.340139 0.099645 O\n0.520792 0.041593 0.337509 O\n0.332356 0.164517 0.600416 O\n0.521135 0.480266 0.340029 O\n0.661943 0.828071 0.101091 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Mn-O",
"density": 5.049212203018993,
"density_atomic": 0.10275534981142555,
"volume": 233.5644814994479,
"volume_molar": 5.860659100525379,
"formula_full": "Mn2 Fe3 Co3 O16",
"formula_reduced": "Mn2Fe3Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.51561623678161,
"spacegroup": 8
}
]
}