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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1561",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1559",
"results": [
{
"id": "jvasp-91312",
"created_at": "2022-09-04T14:36:22.220137Z",
"updated_at": "2022-09-04T14:36:22.220151Z",
"structure_string": "Pb6 S2 O12\n1.0\n5.967979 0.000000 0.000000\n0.000000 7.723641 -1.296743\n-0.000000 0.340579 7.824333\nPb S O\n6 2 12\ndirect\n0.750000 0.106224 0.893776 Pb\n0.750000 0.155335 0.361442 Pb\n0.750000 0.638558 0.844665 Pb\n0.250000 0.893776 0.106224 Pb\n0.250000 0.361442 0.155335 Pb\n0.250000 0.844665 0.638558 Pb\n0.750000 0.640601 0.359399 S\n0.250000 0.359399 0.640601 S\n0.046054 0.288119 0.711881 O\n0.250000 0.550368 0.686644 O\n0.750000 0.686645 0.550368 O\n0.453946 0.288119 0.711881 O\n0.500000 0.857267 0.857267 O\n0.000000 0.142733 0.142733 O\n0.546054 0.711881 0.288119 O\n0.953946 0.711881 0.288119 O\n0.000000 0.857267 0.857267 O\n0.750000 0.449632 0.313356 O\n0.250000 0.313356 0.449632 O\n0.500000 0.142733 0.142733 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"S",
"O"
],
"chemical_system": "O-Pb-S",
"density": 6.853071149204718,
"density_atomic": 0.05505173283974319,
"volume": 363.29464974736476,
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"formula_full": "Pb6 S2 O12",
"formula_reduced": "Pb3SO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.909289346,
"spacegroup": 63
},
{
"id": "jvasp-29466",
"created_at": "2022-09-04T14:37:03.978105Z",
"updated_at": "2022-09-04T14:37:03.978140Z",
"structure_string": "Pb6 S2 O12\n1.0\n5.848965 -0.045335 -0.089597\n-0.251021 7.066620 -1.576908\n-0.034725 -0.050795 8.135102\nPb S O\n6 2 12\ndirect\n0.741678 0.603160 0.411667 Pb\n0.251793 0.918590 0.624111 Pb\n0.230970 0.778130 0.150431 Pb\n0.769029 0.221871 0.849569 Pb\n0.258321 0.396841 0.588333 Pb\n0.748206 0.081412 0.375888 Pb\n0.271798 0.292617 0.139566 S\n0.728201 0.707385 0.860433 S\n0.766151 0.840482 0.025363 O\n0.007285 0.173423 0.623705 O\n0.233847 0.159520 0.974636 O\n0.492168 0.816530 0.377275 O\n0.500638 0.391568 0.149850 O\n0.499361 0.608434 0.850149 O\n0.907217 0.561835 0.831534 O\n0.992713 0.826578 0.376294 O\n0.744121 0.816723 0.722922 O\n0.092782 0.438166 0.168465 O\n0.255878 0.183279 0.277078 O\n0.507830 0.183471 0.622725 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pb",
"S",
"O"
],
"chemical_system": "O-Pb-S",
"density": 7.417352319459651,
"density_atomic": 0.05958468683292874,
"volume": 335.656710860604,
"volume_molar": 10.10685979920589,
"formula_full": "Pb6 S2 O12",
"formula_reduced": "Pb3SO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.905317346,
"spacegroup": 2
},
{
"id": "jvasp-29312",
"created_at": "2022-09-04T14:36:59.001274Z",
"updated_at": "2022-09-04T14:36:59.001301Z",
"structure_string": "Pb6 Se2 O10\n1.0\n5.819208 0.000000 0.000000\n0.000000 7.593062 -0.088566\n0.000000 0.049356 7.593417\nPb Se O\n6 2 10\ndirect\n0.187437 0.882313 0.117686 Pb\n0.687437 0.117687 0.882314 Pb\n0.188634 0.360280 0.132358 Pb\n0.688634 0.639720 0.867642 Pb\n0.188634 0.867642 0.639719 Pb\n0.688634 0.132358 0.360281 Pb\n0.137726 0.373968 0.626033 Se\n0.637727 0.626033 0.373967 Se\n0.787447 0.440091 0.303387 O\n0.287447 0.559909 0.696613 O\n0.722271 0.779165 0.220835 O\n0.222271 0.220836 0.779165 O\n0.951702 0.131056 0.136327 O\n0.951702 0.863673 0.868944 O\n0.451702 0.868944 0.863673 O\n0.287447 0.303387 0.440091 O\n0.451702 0.136327 0.131056 O\n0.787447 0.696613 0.559908 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pb",
"Se",
"O"
],
"chemical_system": "O-Pb-Se",
"density": 7.72560882101153,
"density_atomic": 0.0536440431814926,
"volume": 335.54517766494655,
"volume_molar": 11.226112729097311,
"formula_full": "Pb6 Se2 O10",
"formula_reduced": "Pb3SeO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.7330403696296297,
"spacegroup": 36
},
{
"id": "jvasp-26976",
"created_at": "2022-09-04T14:38:36.177094Z",
"updated_at": "2022-09-04T14:38:36.177124Z",
"structure_string": "Pb6 Se2 O10\n1.0\n5.819136 0.000000 0.000000\n0.000000 7.593266 -0.088778\n0.000000 0.049148 7.593625\nPb Se O\n6 2 10\ndirect\n0.187422 0.882319 0.117682 Pb\n0.687422 0.117682 0.882319 Pb\n0.188627 0.360284 0.132373 Pb\n0.688627 0.639717 0.867627 Pb\n0.188627 0.867628 0.639717 Pb\n0.688627 0.132373 0.360284 Pb\n0.137730 0.373947 0.626053 Se\n0.637731 0.626053 0.373947 Se\n0.787425 0.440100 0.303389 O\n0.287424 0.559901 0.696611 O\n0.722339 0.779166 0.220834 O\n0.222339 0.220834 0.779166 O\n0.951705 0.131062 0.136336 O\n0.951705 0.863664 0.868938 O\n0.451705 0.868938 0.863664 O\n0.287424 0.303389 0.440100 O\n0.451705 0.136336 0.131062 O\n0.787425 0.696611 0.559901 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pb",
"Se",
"O"
],
"chemical_system": "O-Pb-Se",
"density": 7.725286343352622,
"density_atomic": 0.053641804004508596,
"volume": 335.55918437208226,
"volume_molar": 11.226581342219287,
"formula_full": "Pb6 Se2 O10",
"formula_reduced": "Pb3SeO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.7330403696296297,
"spacegroup": 36
},
{
"id": "jvasp-51478",
"created_at": "2022-09-04T14:37:30.270353Z",
"updated_at": "2022-09-04T14:37:30.270380Z",
"structure_string": "Pb6 O8\n1.0\n3.489794 -0.000653 -0.002405\n0.001844 6.801772 -0.002829\n0.005931 0.004512 10.042192\nPb O\n6 8\ndirect\n0.499812 0.520808 0.688796 Pb\n0.499899 0.979206 0.188783 Pb\n-0.000035 0.499995 0.000005 Pb\n0.500188 0.020808 0.811201 Pb\n0.500106 0.479206 0.311221 Pb\n0.000028 -0.000008 0.499992 Pb\n0.499943 0.668988 0.912663 O\n0.499994 0.331003 0.087347 O\n0.500026 0.830998 0.412653 O\n0.500022 0.168993 0.587334 O\n0.000010 0.646677 0.194155 O\n0.000116 0.853327 0.694149 O\n-0.000059 0.146672 0.305844 O\n-0.000061 0.353323 0.805853 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 9.552074909997607,
"density_atomic": 0.05873234937602506,
"volume": 238.36948715208206,
"volume_molar": 10.253532889420356,
"formula_full": "Pb6 O8",
"formula_reduced": "Pb3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.5292780657142857,
"spacegroup": 55
},
{
"id": "jvasp-94950",
"created_at": "2022-09-04T14:36:14.522865Z",
"updated_at": "2022-09-04T14:36:14.522897Z",
"structure_string": "Pb3 N4\n1.0\n4.901756 -1.414158 -1.095091\n0.303195 5.092653 -1.095091\n0.303195 0.214277 5.204654\nPb N\n3 4\ndirect\n0.611514 0.064716 0.064717 Pb\n0.064717 0.611513 0.064717 Pb\n0.064717 0.064717 0.611513 Pb\n0.201536 0.492740 0.492740 N\n0.492741 0.201535 0.492740 N\n0.492741 0.492740 0.201535 N\n0.407039 0.407038 0.407038 N\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Pb",
"N"
],
"chemical_system": "N-Pb",
"density": 8.310716817069977,
"density_atomic": 0.05170075114256572,
"volume": 135.3945512454428,
"volume_molar": 11.648072081958428,
"formula_full": "Pb3 N4",
"formula_reduced": "Pb3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.575212208571428,
"spacegroup": 160
},
{
"id": "jvasp-33862",
"created_at": "2022-09-04T14:37:07.115540Z",
"updated_at": "2022-09-04T14:37:07.115560Z",
"structure_string": "Pb6 I4 Cl8 O12\n1.0\n7.695913 3.715018 -0.044238\n-7.695913 3.715018 0.044238\n-5.541388 0.000000 10.586575\nPb I Cl O\n6 4 8 12\ndirect\n0.822440 0.822439 0.750001 Pb\n0.177564 0.177563 0.250000 Pb\n0.947550 0.341441 0.827865 Pb\n0.341441 0.947551 0.672134 Pb\n0.052449 0.658559 0.172136 Pb\n0.658558 0.052450 0.327865 Pb\n0.341930 0.234414 0.971278 I\n0.234414 0.341930 0.528723 I\n0.658071 0.765585 0.028722 I\n0.765586 0.658071 0.471277 I\n0.840153 0.254007 0.102058 Cl\n0.254006 0.840154 0.397942 Cl\n0.159847 0.745994 0.897942 Cl\n0.745994 0.159847 0.602056 Cl\n0.670247 0.426556 0.271265 Cl\n0.573445 0.329752 0.771265 Cl\n0.329752 0.573445 0.728736 Cl\n0.426556 0.670248 0.228735 Cl\n0.282226 0.365175 0.022580 O\n0.080184 0.090600 0.879092 O\n0.090600 0.080184 0.620907 O\n0.919816 0.909400 0.120907 O\n0.909399 0.919817 0.379093 O\n0.661173 0.961407 0.881525 O\n0.961405 0.661175 0.618474 O\n0.338825 0.038595 0.118474 O\n0.038594 0.338826 0.381525 O\n0.717774 0.634827 0.977420 O\n0.634827 0.717776 0.522580 O\n0.365174 0.282227 0.477420 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Pb",
"I",
"Cl",
"O"
],
"chemical_system": "Cl-I-O-Pb",
"density": 6.125777239797166,
"density_atomic": 0.049707669144658635,
"volume": 603.528600640967,
"volume_molar": 12.115113952485764,
"formula_full": "Pb6 I4 Cl8 O12",
"formula_reduced": "Pb3I2(Cl2O3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 1.1793134853333334,
"spacegroup": 15
},
{
"id": "jvasp-87211",
"created_at": "2022-09-04T14:38:17.839324Z",
"updated_at": "2022-09-04T14:38:17.839348Z",
"structure_string": "Pb12 Br8 O8\n1.0\n5.943695 -0.000000 0.000000\n-0.000000 9.911420 0.000000\n0.000000 0.000000 12.317916\nPb Br O\n12 8 8\ndirect\n0.250000 0.077421 0.079299 Pb\n0.749999 0.922579 0.920702 Pb\n0.749999 0.577421 0.420701 Pb\n0.250000 0.422579 0.579299 Pb\n0.250000 0.366103 0.287357 Pb\n0.749999 0.633897 0.712643 Pb\n0.749999 0.866103 0.212643 Pb\n0.250000 0.133897 0.787357 Pb\n0.250000 0.790468 0.556369 Pb\n0.749999 0.209532 0.443631 Pb\n0.749999 0.290468 0.943631 Pb\n0.250000 0.709531 0.056369 Pb\n0.250000 0.693629 0.309971 Br\n0.749999 0.306371 0.690029 Br\n0.749999 0.193629 0.190029 Br\n0.250000 0.806371 0.809972 Br\n0.749999 0.927276 0.629386 Br\n0.749999 0.572724 0.129385 Br\n0.250000 0.072724 0.370615 Br\n0.250000 0.427276 0.870615 Br\n0.996457 0.112330 0.922692 O\n0.996457 0.387670 0.422692 O\n0.496457 0.612330 0.577309 O\n0.003542 0.887670 0.077308 O\n0.503542 0.112330 0.922692 O\n0.003542 0.612330 0.577309 O\n0.503542 0.387670 0.422692 O\n0.496457 0.887670 0.077308 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Br-O-Pb",
"density": 7.445386610074302,
"density_atomic": 0.038585878967064224,
"volume": 725.6540669683844,
"volume_molar": 15.607110479821705,
"formula_full": "Pb12 Br8 O8",
"formula_reduced": "Pb3(BrO)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.708533952857143,
"spacegroup": 62
},
{
"id": "jvasp-91326",
"created_at": "2022-09-04T14:35:46.829215Z",
"updated_at": "2022-09-04T14:35:46.829228Z",
"structure_string": "Pb4 W2 O10\n1.0\n5.444166 0.000000 -2.221308\n-1.108005 6.785000 -2.715591\n-0.034125 0.047332 7.698526\nPb W O\n4 2 10\ndirect\n0.508896 0.253743 0.017792 Pb\n0.491104 0.746257 0.982208 Pb\n0.136725 0.113886 0.273449 Pb\n0.863276 0.886114 0.726552 Pb\n0.830898 0.343098 0.661796 W\n0.169103 0.656902 0.338205 W\n0.746119 -0.000000 -0.000000 O\n0.253882 -0.000000 -0.000000 O\n0.700433 0.321401 0.400865 O\n0.299567 0.678599 0.599136 O\n0.904823 0.783847 0.298431 O\n0.606393 0.216153 0.701569 O\n0.916197 0.601359 0.832392 O\n0.083804 0.398641 0.167609 O\n0.393608 0.783847 0.298431 O\n0.095178 0.216153 0.701569 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pb",
"W",
"O"
],
"chemical_system": "O-Pb-W",
"density": 7.912448618811689,
"density_atomic": 0.05620439976612112,
"volume": 284.6752223416587,
"volume_molar": 10.714714123911035,
"formula_full": "Pb4 W2 O10",
"formula_reduced": "Pb2WO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.7518648925,
"spacegroup": 12
},
{
"id": "jvasp-12387",
"created_at": "2022-09-04T14:37:28.752112Z",
"updated_at": "2022-09-04T14:37:28.752143Z",
"structure_string": "Pb4 S2 O10\n1.0\n5.278268 0.000000 -2.187336\n-1.172006 6.395065 -2.828170\n0.004215 0.029144 7.472342\nPb S O\n4 2 10\ndirect\n0.523855 0.273062 0.047710 Pb\n0.476145 0.726937 0.952288 Pb\n0.147879 0.109362 0.295759 Pb\n0.852121 0.890636 0.704240 Pb\n0.831292 0.343512 0.662582 S\n0.168708 0.656487 0.337417 S\n0.746957 0.000000 -0.000000 O\n0.253043 0.000000 -0.000000 O\n0.715534 0.299316 0.431067 O\n0.284466 0.700682 0.568932 O\n0.933409 0.752885 0.291456 O\n0.641952 0.247114 0.708543 O\n0.898701 0.572638 0.797400 O\n0.101299 0.427361 0.202599 O\n0.358048 0.752885 0.291456 O\n0.066592 0.247114 0.708543 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pb",
"S",
"O"
],
"chemical_system": "O-Pb-S",
"density": 6.916315968567196,
"density_atomic": 0.06329198053077502,
"volume": 252.79663972942322,
"volume_molar": 9.514855925659969,
"formula_full": "Pb4 S2 O10",
"formula_reduced": "Pb2SO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.9170011425,
"spacegroup": 12
},
{
"id": "jvasp-29408",
"created_at": "2022-09-04T14:37:01.518937Z",
"updated_at": "2022-09-04T14:37:01.518959Z",
"structure_string": "Pb4 S2 O10\n1.0\n5.280860 0.000000 -2.181474\n-1.177806 6.383418 -2.851205\n-0.004608 0.054671 7.471468\nPb S O\n4 2 10\ndirect\n0.476157 0.726924 0.952317 Pb\n0.523842 0.273076 0.047683 Pb\n0.147881 0.109355 0.295760 Pb\n0.852118 0.890645 0.704240 Pb\n0.831314 0.343646 0.662630 S\n0.168685 0.656354 0.337370 S\n0.101232 0.427222 0.202464 O\n0.358041 0.752778 0.291449 O\n0.898767 0.572778 0.797536 O\n0.253047 -0.000000 0.000000 O\n0.715561 0.299562 0.431122 O\n0.066592 0.247222 0.708551 O\n0.284438 0.700438 0.568878 O\n0.641958 0.247222 0.708551 O\n0.933407 0.752778 0.291449 O\n0.746953 -0.000000 0.000000 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pb",
"S",
"O"
],
"chemical_system": "O-Pb-S",
"density": 6.917258709071567,
"density_atomic": 0.0633006076545096,
"volume": 252.76218653898098,
"volume_molar": 9.513559163394506,
"formula_full": "Pb4 S2 O10",
"formula_reduced": "Pb2SO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.9170148925,
"spacegroup": 12
},
{
"id": "jvasp-25656",
"created_at": "2022-09-04T14:38:13.710428Z",
"updated_at": "2022-09-04T14:38:13.710451Z",
"structure_string": "Pb4 S2 O8 F4\n1.0\n4.452692 0.000000 0.000000\n-2.226347 6.854102 -2.177564\n-0.000000 -0.059901 8.663834\nPb S O F\n4 2 8 4\ndirect\n0.639989 0.308981 0.075897 Pb\n0.360010 0.691019 0.924103 Pb\n0.331008 0.691019 0.424103 Pb\n0.668991 0.308981 0.575897 Pb\n0.043940 0.000000 0.250000 S\n0.956060 0.000000 0.750000 S\n0.245234 0.007859 0.391799 O\n0.237374 0.992141 0.108201 O\n0.948863 0.179799 0.289987 O\n0.769063 0.820201 0.210013 O\n0.762625 0.007859 0.891798 O\n0.754765 0.992141 0.608201 O\n0.230936 0.179799 0.789987 O\n0.051136 0.820201 0.710013 O\n0.217124 0.492315 0.121338 F\n0.782875 0.507685 0.878662 F\n0.275190 0.492315 0.621338 F\n0.724809 0.507685 0.378662 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Pb",
"S",
"O",
"F"
],
"chemical_system": "F-O-Pb-S",
"density": 6.9039120034924535,
"density_atomic": 0.06822509828076086,
"volume": 263.8325257653152,
"volume_molar": 8.826870040139195,
"formula_full": "Pb4 S2 O8 F4",
"formula_reduced": "Pb2S(O2F)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.3348873561111112,
"spacegroup": 15
}
]
}