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=id&page=967",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=965",
"results": [
{
"id": "jvasp-116870",
"created_at": "2022-09-04T14:38:34.295413Z",
"updated_at": "2022-09-04T14:38:34.295441Z",
"structure_string": "Li4 Cr4 Co2 O12\n1.0\n2.811229 0.004797 -0.615445\n-0.645231 11.204859 -2.865829\n-0.046701 -0.022104 6.516745\nLi Cr Co O\n4 4 2 12\ndirect\n0.015785 0.262027 0.031113 Li\n0.015592 0.762041 0.031143 Li\n0.317563 0.071303 0.635551 Li\n0.317738 0.571299 0.635530 Li\n0.006291 0.001185 0.012656 Cr\n0.327011 0.832149 0.654020 Cr\n0.006325 0.501185 0.012648 Cr\n0.327038 0.332149 0.654010 Cr\n0.666679 0.666667 0.333332 Co\n0.666674 0.166667 0.333334 Co\n0.843569 0.950881 0.687256 O\n0.843615 0.450880 0.687244 O\n0.160660 0.555834 0.321191 O\n0.160652 0.055833 0.321198 O\n0.172704 0.777502 0.345476 O\n0.508485 0.118624 0.017126 O\n0.824815 0.714710 0.649540 O\n0.824847 0.214709 0.649540 O\n0.508525 0.618625 0.017127 O\n0.489763 0.382454 0.979412 O\n0.172689 0.277499 0.345466 O\n0.489714 0.882455 0.979424 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.424151982989375,
"density_atomic": 0.10742941678594531,
"volume": 204.78562258078085,
"volume_molar": 5.605672021844077,
"formula_full": "Li4 Cr4 Co2 O12",
"formula_reduced": "Li2Cr2CoO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.977301518181818,
"spacegroup": 12
},
{
"id": "jvasp-116872",
"created_at": "2022-09-04T14:38:47.384103Z",
"updated_at": "2022-09-04T14:38:47.384125Z",
"structure_string": "Li14 Ni2 O8 F4\n1.0\n5.161663 -0.026955 0.859308\n-3.056925 5.016728 0.912958\n-0.106765 0.420393 10.000787\nLi Ni O F\n14 2 8 4\ndirect\n0.130647 0.087074 0.206434 Li\n0.875392 0.883145 0.732614 Li\n0.979377 0.547482 0.285422 Li\n0.549158 0.044365 0.614960 Li\n0.486959 0.478970 0.925790 Li\n0.676848 0.701000 0.420002 Li\n0.709048 0.200840 0.085136 Li\n0.634840 0.147963 0.847423 Li\n0.212610 0.705122 0.982087 Li\n0.197865 0.192687 0.444365 Li\n0.596840 0.672763 0.141598 Li\n0.512574 0.017477 0.388543 Li\n0.112598 0.602053 0.752695 Li\n0.384826 0.381948 0.644536 Li\n0.064948 0.052170 0.925747 Ni\n0.021711 0.536074 0.512869 Ni\n0.965368 0.213574 0.614588 O\n0.660372 0.834856 0.933300 O\n0.633947 0.347979 0.466191 O\n0.058888 0.355986 0.925524 O\n0.232993 0.935323 0.799565 O\n0.351135 0.114512 0.023690 O\n0.103239 0.855932 0.386169 O\n0.390806 0.720503 0.559368 O\n0.702375 -0.062475 0.237781 F\n0.221467 0.397469 0.260914 F\n0.831531 0.520146 0.134862 F\n0.701637 0.515072 0.747837 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 2.720009362970716,
"density_atomic": 0.10958027559873333,
"volume": 255.52043784350238,
"volume_molar": 5.495643013394293,
"formula_full": "Li14 Ni2 O8 F4",
"formula_reduced": "Li7Ni(O2F)2",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 1.191476211785714,
"spacegroup": 1
},
{
"id": "jvasp-116873",
"created_at": "2022-09-04T14:38:46.978234Z",
"updated_at": "2022-09-04T14:38:46.978262Z",
"structure_string": "Ni6 O1 F11\n1.0\n10.302273 0.040861 0.000000\n-8.202354 6.233771 0.000000\n-0.000000 -0.000000 3.058935\nNi O F\n6 1 11\ndirect\n0.000241 0.999759 -0.000000 Ni\n0.493160 0.506839 0.500001 Ni\n0.169355 0.830645 0.500001 Ni\n0.341374 0.658626 -0.000000 Ni\n0.664206 0.335793 -0.000000 Ni\n0.832306 0.167693 0.500001 Ni\n0.398114 0.601885 0.500001 O\n0.028976 0.363824 -0.000000 F\n0.730744 0.269256 0.500001 F\n0.270773 0.729227 0.500001 F\n0.597774 0.402226 0.500001 F\n0.698125 0.697506 -0.000000 F\n0.302494 0.301875 -0.000000 F\n0.636176 0.971024 -0.000000 F\n0.364934 0.029332 -0.000000 F\n0.066790 0.933210 0.500001 F\n0.970668 0.635066 -0.000000 F\n0.934042 0.065958 0.500001 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ni",
"O",
"F"
],
"chemical_system": "F-Ni-O",
"density": 4.8530776688352,
"density_atomic": 0.09115023493929278,
"volume": 197.47617778482118,
"volume_molar": 6.606829663149879,
"formula_full": "Ni6 O1 F11",
"formula_reduced": "Ni6OF11",
"formula_anonymous": "AB6C11",
"energy_above_hull": 0.3950161670833334,
"spacegroup": 38
},
{
"id": "jvasp-116874",
"created_at": "2022-09-04T14:38:42.391998Z",
"updated_at": "2022-09-04T14:38:42.392024Z",
"structure_string": "Co6 O5 F7\n1.0\n4.490059 -0.013453 0.190128\n0.261563 5.354679 0.376768\n-0.058093 -0.042930 7.461449\nCo O F\n6 5 7\ndirect\n0.509328 0.487037 0.000993 Co\n0.487020 0.174727 0.329266 Co\n0.526724 0.851187 0.675372 Co\n0.989484 0.322948 0.668655 Co\n0.027059 0.650711 0.327610 Co\n0.962322 0.011766 -0.003973 Co\n0.310305 0.459970 0.228993 O\n0.304527 0.129665 0.562857 O\n0.690350 0.205650 0.100936 O\n0.702790 0.539411 0.772543 O\n0.804151 0.044192 0.769974 O\n0.786412 0.360198 0.428647 F\n0.789281 0.690638 0.098982 F\n0.702099 0.865342 0.420394 F\n0.291022 0.797441 0.912609 F\n0.194933 0.976273 0.228748 F\n0.219434 0.301227 0.902994 F\n0.202758 0.631623 0.574432 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.239955063723745,
"density_atomic": 0.1002503513633544,
"volume": 179.55049289313249,
"volume_molar": 6.007101898499019,
"formula_full": "Co6 O5 F7",
"formula_reduced": "Co6O5F7",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.0613136043055555,
"spacegroup": 1
},
{
"id": "jvasp-116875",
"created_at": "2022-09-04T14:38:47.408044Z",
"updated_at": "2022-09-04T14:38:47.408071Z",
"structure_string": "Li4 Mn2 F8\n1.0\n5.331387 -0.035664 -1.973746\n-2.541063 4.665924 -2.023065\n-0.015467 0.035664 5.684991\nLi Mn F\n4 2 8\ndirect\n0.748709 0.001869 0.253160 Li\n0.748708 0.495548 0.746839 Li\n0.745563 0.498713 0.246850 Li\n0.251862 0.498712 0.753149 Li\n0.369979 0.869978 0.500000 Mn\n0.119867 0.119867 0.000000 Mn\n0.463466 0.661809 0.198344 F\n0.463465 0.265121 0.801655 F\n0.036317 0.340075 0.303758 F\n0.036317 0.732558 0.696242 F\n0.515107 0.213443 0.301663 F\n0.590107 0.786340 0.803766 F\n0.982576 0.786341 0.196234 F\n0.911780 0.213443 0.698336 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4030904680146334,
"density_atomic": 0.09906332796972177,
"volume": 141.32373994420047,
"volume_molar": 6.079081819097213,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4155397673399013,
"spacegroup": 141
},
{
"id": "jvasp-116876",
"created_at": "2022-09-04T14:38:50.962137Z",
"updated_at": "2022-09-04T14:38:50.962164Z",
"structure_string": "Li12 Mn2 Fe4 O12\n1.0\n2.851319 0.001441 -0.803193\n-0.860198 14.754638 2.437168\n0.294776 0.399800 6.508845\nLi Mn Fe O\n12 2 4 12\ndirect\n0.019523 0.310190 0.728821 Li\n0.960095 0.824324 0.095970 Li\n0.670438 0.288586 0.052250 Li\n0.610994 0.802840 0.419151 Li\n0.964562 0.152033 0.777043 Li\n0.964625 0.657499 0.271741 Li\n0.665880 0.455518 0.876191 Li\n0.665748 0.960975 0.370527 Li\n0.315059 0.140834 0.489298 Li\n0.315770 0.632752 -0.001155 Li\n0.314691 0.480331 0.149004 Li\n0.315169 0.972260 0.658090 Li\n0.279521 0.791922 0.767217 Mn\n0.350938 0.321194 0.380685 Mn\n0.011962 0.995747 0.028157 Fe\n0.009422 0.496059 0.522738 Fe\n0.618282 0.117195 0.119349 Fe\n0.621099 0.617000 0.625201 Fe\n0.441677 0.067669 0.815652 O\n0.518869 0.390832 0.646830 O\n0.519114 0.893284 0.145006 O\n0.111215 0.219687 0.002715 O\n0.111606 0.722223 0.501033 O\n0.864335 0.230011 0.498668 O\n0.840249 0.719097 0.961469 O\n0.790185 0.393962 0.186374 O\n0.766018 0.883062 0.649017 O\n0.188619 0.045337 0.331908 O\n0.186557 0.540938 0.832136 O\n0.443954 0.572113 0.315784 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 3.6768576560513857,
"density_atomic": 0.10915891469615348,
"volume": 274.82867600420667,
"volume_molar": 5.5168565726058905,
"formula_full": "Li12 Mn2 Fe4 O12",
"formula_reduced": "Li6Mn(FeO3)2",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 2.3482766160919537,
"spacegroup": 12
},
{
"id": "jvasp-116877",
"created_at": "2022-09-04T14:38:50.197236Z",
"updated_at": "2022-09-04T14:38:50.197261Z",
"structure_string": "Mn8 O12 F4\n1.0\n5.348280 -0.000000 -2.396014\n0.000000 6.236247 0.000000\n0.029602 -0.000000 7.233185\nMn O F\n8 12 4\ndirect\n0.011972 0.000000 0.000000 Mn\n0.488028 0.000000 0.000000 Mn\n0.490368 0.000000 0.480737 Mn\n0.750000 0.500000 0.000000 Mn\n0.009631 0.000000 0.519263 Mn\n0.250000 0.500000 0.000000 Mn\n0.750000 0.500000 0.500000 Mn\n0.250000 0.500000 0.500000 Mn\n0.750000 0.805620 0.500000 O\n0.250000 0.805620 0.500000 O\n0.593522 0.500000 0.687044 O\n0.906478 0.500000 0.312956 O\n0.154563 0.000000 0.809126 O\n0.750000 0.194380 0.500000 O\n0.250000 0.194380 0.500000 O\n-0.001050 0.695905 -0.000000 O\n0.501050 0.304095 0.000000 O\n-0.001050 0.304095 -0.000000 O\n0.345436 0.000000 0.190874 O\n0.501050 0.695905 0.000000 O\n0.652434 0.000000 0.804867 F\n0.847565 0.000000 0.195133 F\n0.396517 0.500000 0.293034 F\n0.103483 0.500000 0.706965 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.8607953508609025,
"density_atomic": 0.09929987480471243,
"volume": 241.6921476205229,
"volume_molar": 6.064600556489532,
"formula_full": "Mn8 O12 F4",
"formula_reduced": "Mn2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.55137754420977,
"spacegroup": 65
},
{
"id": "jvasp-116878",
"created_at": "2022-09-04T14:38:44.731503Z",
"updated_at": "2022-09-04T14:38:44.731539Z",
"structure_string": "V6 O5 F19\n1.0\n5.542162 0.027718 0.048397\n-0.248951 5.439865 -1.033830\n0.024564 -0.478228 12.395319\nV O F\n6 5 19\ndirect\n0.045694 0.940652 0.000530 V\n0.427137 0.867243 0.666839 V\n0.950026 0.722989 0.332866 V\n0.545617 0.440696 0.000108 V\n0.934838 0.315712 0.667111 V\n0.484841 0.187984 0.332642 V\n0.216587 0.062729 0.666621 O\n0.249760 0.744989 0.000974 O\n0.715894 0.108853 0.667067 O\n0.747297 0.928442 0.333734 O\n0.750236 0.245032 -0.000529 O\n0.263196 0.581160 0.666928 F\n0.514935 0.240215 0.476862 F\n0.017722 0.399660 0.807840 F\n0.512583 0.087200 0.188528 F\n0.017989 0.259072 0.526301 F\n0.510826 0.440976 0.858837 F\n0.259315 0.411614 0.331930 F\n0.743024 0.437749 0.330861 F\n0.510716 0.767691 0.526773 F\n0.503547 0.571351 0.142181 F\n0.005975 0.732564 0.473052 F\n0.509212 0.909475 0.807050 F\n0.008315 0.600674 0.191973 F\n0.009316 0.081240 0.141981 F\n0.003267 0.928449 0.858567 F\n0.237649 0.929646 0.334593 F\n0.765106 0.737087 0.003324 F\n0.774019 0.585146 0.667195 F\n0.265350 0.233719 -0.002734 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.34132535684628,
"density_atomic": 0.08085256988560306,
"volume": 371.04571991275594,
"volume_molar": 7.448298512367171,
"formula_full": "V6 O5 F19",
"formula_reduced": "V6O5F19",
"formula_anonymous": "A5B6C19",
"energy_above_hull": 1.425731268916667,
"spacegroup": 1
},
{
"id": "jvasp-116879",
"created_at": "2022-09-04T14:38:34.551508Z",
"updated_at": "2022-09-04T14:38:34.551518Z",
"structure_string": "V6 O2 F22\n1.0\n5.036367 0.013657 -0.005418\n-0.009544 5.290221 -0.879637\n-0.009073 0.105591 13.954754\nV O F\n6 2 22\ndirect\n0.024065 0.778587 0.663328 V\n0.494334 0.691455 0.333188 V\n0.000000 0.500000 -0.000000 V\n0.505668 0.308545 0.666812 V\n0.975937 0.221413 0.336671 V\n0.500000 0.000000 -0.000000 V\n0.796698 0.481876 0.362531 O\n0.203304 0.518124 0.637469 O\n0.185319 0.180088 0.968183 F\n0.607208 0.304729 0.546320 F\n0.892793 0.126604 0.213954 F\n0.610279 0.973195 0.879884 F\n0.686537 -0.001402 0.365581 F\n0.389723 0.026806 0.120115 F\n0.107208 0.873397 0.786046 F\n0.292929 0.368664 0.300561 F\n0.111162 0.191190 0.450776 F\n0.806126 0.137895 0.697449 F\n0.392794 0.695272 0.453680 F\n0.389912 0.361216 0.786767 F\n0.111458 0.523673 0.120034 F\n0.313464 0.001402 0.634419 F\n0.888544 0.476327 0.879966 F\n0.610090 0.638784 0.213232 F\n0.888840 0.808810 0.549224 F\n0.314405 0.680155 0.968696 F\n0.707073 0.631337 0.699438 F\n0.814683 0.819912 0.031817 F\n0.685597 0.319845 0.031304 F\n0.193876 0.862105 0.302551 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.370442641940836,
"density_atomic": 0.08058604950156603,
"volume": 372.2728708697528,
"volume_molar": 7.472932098356517,
"formula_full": "V6 O2 F22",
"formula_reduced": "V3OF11",
"formula_anonymous": "AB3C11",
"energy_above_hull": 0.9578179471666666,
"spacegroup": 2
},
{
"id": "jvasp-11688",
"created_at": "2022-09-04T14:38:14.667265Z",
"updated_at": "2022-09-04T14:38:14.667280Z",
"structure_string": "Na4 Mo2 O8\n1.0\n5.582075 0.000000 3.222813\n1.860691 5.262831 3.222813\n-0.000000 -0.000000 6.445625\nNa Mo O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n-0.000000 0.500000 -0.000000 Na\n0.500000 -0.000000 -0.000000 Na\n0.375000 0.375000 0.374999 Mo\n0.625000 0.625000 0.624999 Mo\n0.738085 0.738084 0.738083 O\n0.261916 0.261916 0.714254 O\n0.261916 0.714254 0.261915 O\n0.714255 0.261916 0.261915 O\n0.738085 0.285746 0.738083 O\n0.285746 0.738084 0.738083 O\n0.261916 0.261916 0.261915 O\n0.738085 0.738084 0.285745 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Mo",
"O"
],
"chemical_system": "Mo-Na-O",
"density": 3.611531949056346,
"density_atomic": 0.07393463089689971,
"volume": 189.35646029697108,
"volume_molar": 8.145223269455082,
"formula_full": "Na4 Mo2 O8",
"formula_reduced": "Na2MoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9932182714285716,
"spacegroup": 227
},
{
"id": "jvasp-116880",
"created_at": "2022-09-04T14:38:34.582193Z",
"updated_at": "2022-09-04T14:38:34.582222Z",
"structure_string": "Li14 Mn2 O6 F6\n1.0\n5.244136 -0.050750 1.243316\n-3.518997 5.417175 0.627611\n-0.079235 -0.053192 10.133871\nLi Mn O F\n14 2 6 6\ndirect\n0.095737 0.099271 0.222921 Li\n0.963207 0.906089 0.730096 Li\n0.882478 0.390250 0.276351 Li\n0.517172 0.008722 0.617689 Li\n0.477796 0.500564 0.891019 Li\n0.758698 0.805124 0.534134 Li\n0.727536 0.248573 0.055494 Li\n0.697109 0.115526 0.815526 Li\n0.202375 0.684252 0.957068 Li\n0.273294 0.230907 0.444695 Li\n0.542326 0.541290 0.123477 Li\n0.447720 0.945858 0.394230 Li\n0.093079 0.612315 0.749414 Li\n0.297232 0.383402 0.671478 Li\n0.102422 0.064630 0.950176 Mn\n0.985641 0.448793 0.516183 Mn\n0.934119 0.129765 0.624061 O\n0.622394 0.269312 0.465297 O\n0.061492 0.354115 0.874738 O\n0.392060 0.254303 0.042925 O\n0.255026 0.924680 0.809271 O\n0.347506 0.690918 0.559987 O\n0.726676 0.585761 0.707896 F\n0.094561 0.932960 0.380745 F\n0.245920 0.421365 0.295119 F\n0.909756 0.582569 0.121454 F\n0.608119 0.790264 0.953443 F\n0.738581 0.078438 0.215112 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.4127343135833947,
"density_atomic": 0.09755374391242652,
"volume": 287.0212754226578,
"volume_molar": 6.173151863249907,
"formula_full": "Li14 Mn2 O6 F6",
"formula_reduced": "Li7Mn(OF)3",
"formula_anonymous": "AB3C3D7",
"energy_above_hull": 1.2341920420628076,
"spacegroup": 1
},
{
"id": "jvasp-116881",
"created_at": "2022-09-04T14:38:47.036604Z",
"updated_at": "2022-09-04T14:38:47.036618Z",
"structure_string": "Mn4 Te1 O8\n1.0\n5.198359 -0.007701 -2.905552\n1.854055 5.209974 -2.796656\n-0.143747 0.065953 5.845903\nMn Te O\n4 1 8\ndirect\n0.499996 0.500006 0.499999 Mn\n0.499998 0.500006 0.000003 Mn\n-0.000001 -0.000004 -0.000004 Mn\n-0.000002 0.500005 0.000003 Mn\n0.500002 0.000001 0.000005 Te\n0.245657 0.305724 0.797133 O\n0.754346 0.694264 0.202864 O\n0.738635 0.307719 0.785107 O\n0.261364 0.692275 0.214887 O\n0.266653 0.739984 0.773404 O\n0.766877 0.740175 0.773554 O\n0.733347 0.260017 0.226594 O\n0.233120 0.259823 0.226444 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Te",
"O"
],
"chemical_system": "Mn-O-Te",
"density": 5.032909236484499,
"density_atomic": 0.08289002081878362,
"volume": 156.83431939800025,
"volume_molar": 7.2652180570273535,
"formula_full": "Mn4 Te1 O8",
"formula_reduced": "Mn4TeO8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.402734210167993,
"spacegroup": 12
}
]
}