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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4550",
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"results": [
{
"id": "jvasp-97000",
"created_at": "2022-09-04T14:36:07.082592Z",
"updated_at": "2022-09-04T14:36:07.082619Z",
"structure_string": "Sm4 Se6 O18\n1.0\n6.779462 -0.063310 -1.749393\n-3.859098 6.823978 -0.840974\n0.008520 0.102069 9.050921\nSm Se O\n4 6 18\ndirect\n0.022075 0.650605 0.319445 Sm\n0.977924 0.349395 0.680556 Sm\n0.464082 0.683226 0.129506 Sm\n0.535918 0.316775 0.870494 Sm\n0.647868 0.772184 0.516658 Se\n0.964919 0.775617 0.957211 Se\n0.624428 0.168311 0.256635 Se\n0.035081 0.224384 0.042790 Se\n0.375572 0.831690 0.743365 Se\n0.352132 0.227816 0.483343 Se\n0.239607 0.337607 0.948507 O\n0.137835 0.432722 0.186571 O\n0.872041 0.330592 0.409034 O\n0.652374 0.338946 0.144296 O\n0.181928 0.784080 0.103393 O\n0.285296 0.322750 0.635654 O\n0.852178 0.006590 0.599338 O\n0.862164 0.567278 0.813429 O\n0.434447 0.794734 0.384618 O\n0.760393 0.662394 0.051494 O\n0.347626 0.661055 0.855704 O\n0.818071 0.215921 0.896607 O\n0.147822 0.993411 0.400663 O\n0.565553 0.205266 0.615382 O\n0.700144 0.020750 0.162322 O\n0.299856 0.979250 0.837678 O\n0.127958 0.669408 0.590967 O\n0.714704 0.677251 0.364347 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sm",
"Se",
"O"
],
"chemical_system": "O-Se-Sm",
"density": 5.416887289312931,
"density_atomic": 0.06700428795650483,
"volume": 417.883703475454,
"volume_molar": 8.987694584426018,
"formula_full": "Sm4 Se6 O18",
"formula_reduced": "Sm2(SeO3)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 2
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{
"id": "jvasp-91266",
"created_at": "2022-09-04T14:36:06.965651Z",
"updated_at": "2022-09-04T14:36:06.965676Z",
"structure_string": "Ba2 Mn2 P4 O14\n1.0\n5.479572 0.008648 -0.078415\n-0.502172 7.070763 -1.535316\n-0.014652 -0.029784 7.626052\nBa Mn P O\n2 2 4 14\ndirect\n0.780884 0.228618 0.068659 Ba\n0.219116 0.771383 0.931341 Ba\n0.793540 0.381465 0.604525 Mn\n0.206460 0.618536 0.395475 Mn\n0.286655 0.175911 0.402220 P\n0.713346 0.824090 0.597780 P\n0.287424 0.268865 0.793744 P\n0.712577 0.731136 0.206256 P\n0.718174 0.849498 0.064166 O\n0.281827 0.150502 0.935834 O\n0.473206 0.606591 0.197981 O\n0.546355 0.268211 0.394834 O\n0.063743 0.389416 0.805237 O\n0.266413 0.123744 0.599168 O\n0.733587 0.876256 0.400831 O\n0.903405 0.671937 0.598829 O\n0.096595 0.328064 0.401171 O\n0.225868 -0.004712 0.266838 O\n0.774132 0.004713 0.733163 O\n0.453646 0.731790 0.605166 O\n0.936257 0.610585 0.194763 O\n0.526794 0.393409 0.802019 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"P",
"O"
],
"chemical_system": "Ba-Mn-O-P",
"density": 4.11934155430317,
"density_atomic": 0.07451490043859187,
"volume": 295.242963092064,
"volume_molar": 8.081794009726792,
"formula_full": "Ba2 Mn2 P4 O14",
"formula_reduced": "BaMnP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.721837155579937,
"spacegroup": 2
},
{
"id": "jvasp-86539",
"created_at": "2022-09-04T14:36:07.026113Z",
"updated_at": "2022-09-04T14:36:07.026142Z",
"structure_string": "Na2 Pd1 Se2 O8\n1.0\n4.998614 0.005710 0.315147\n1.885811 5.449008 1.719536\n-0.031608 0.063921 7.216021\nNa Pd Se O\n2 1 2 8\ndirect\n0.798757 0.262149 0.808977 Na\n0.201242 0.737851 0.191024 Na\n0.499999 -0.000000 0.500000 Pd\n0.120796 0.678646 0.719060 Se\n0.879202 0.321354 0.280941 Se\n0.262346 0.785777 0.500980 O\n0.793588 0.683515 0.654577 O\n0.292096 0.385416 0.823486 O\n0.206411 0.316485 0.345424 O\n0.104086 0.858036 0.856820 O\n0.895912 0.141964 0.143181 O\n0.737652 0.214223 0.499021 O\n0.707902 0.614584 0.176515 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Na",
"Pd",
"Se",
"O"
],
"chemical_system": "Na-O-Pd-Se",
"density": 3.713252362074292,
"density_atomic": 0.06632276849258795,
"volume": 196.01111798360535,
"volume_molar": 9.0800503309403,
"formula_full": "Na2 Pd1 Se2 O8",
"formula_reduced": "Na2Pd(SeO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.0299591102564105,
"spacegroup": 2
},
{
"id": "jvasp-85955",
"created_at": "2022-09-04T14:36:07.218237Z",
"updated_at": "2022-09-04T14:36:07.218254Z",
"structure_string": "Hg2 C2 S2 O6 F6\n1.0\n5.063436 -0.023830 -0.648383\n-0.398868 5.220199 -0.398288\n-0.083572 0.333487 9.881507\nHg C S O F\n2 2 2 6 6\ndirect\n0.168195 0.133207 0.587181 Hg\n0.831805 0.866794 0.412820 Hg\n0.335397 0.238912 0.126831 C\n0.664604 0.761088 0.873169 C\n0.355123 0.434359 0.290239 S\n0.644877 0.565642 0.709761 S\n0.082863 0.476359 0.304729 O\n0.917137 0.523642 0.695271 O\n0.507774 0.719654 0.607604 O\n0.515222 0.669029 0.262339 O\n0.484779 0.330971 0.737661 O\n0.492227 0.280347 0.392397 O\n0.169301 0.028930 0.132711 F\n0.579382 0.167386 0.112291 F\n0.243357 0.370949 0.019268 F\n0.830700 -0.028929 0.867289 F\n0.756643 0.629052 0.980733 F\n0.420618 0.832615 0.887710 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Hg",
"C",
"S",
"O",
"F"
],
"chemical_system": "C-F-Hg-O-S",
"density": 4.439509380027439,
"density_atomic": 0.0688150678771684,
"volume": 261.57062043634306,
"volume_molar": 8.751194971934392,
"formula_full": "Hg2 C2 S2 O6 F6",
"formula_reduced": "HgCS(OF)3",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 1.5789406608333336,
"spacegroup": 2
},
{
"id": "jvasp-98112",
"created_at": "2022-09-04T14:36:07.262577Z",
"updated_at": "2022-09-04T14:36:07.262604Z",
"structure_string": "Rb6 Mn6 O12\n1.0\n6.531338 0.003870 0.141762\n1.443017 7.397739 1.676955\n-0.016142 0.000585 8.516512\nRb Mn O\n6 6 12\ndirect\n0.159001 0.112704 0.118466 Rb\n0.841000 0.887297 0.881533 Rb\n0.822210 0.874226 0.468786 Rb\n0.017337 0.456987 0.764751 Rb\n0.177791 0.125775 0.531212 Rb\n0.982663 0.543014 0.235248 Rb\n0.582927 0.318933 0.785034 Mn\n0.597734 0.320582 0.117705 Mn\n0.402267 0.679419 0.882294 Mn\n0.400072 0.675053 0.549980 Mn\n0.417074 0.681068 0.214965 Mn\n0.599928 0.324948 0.450019 Mn\n0.388803 0.384382 0.605152 O\n0.227334 0.779133 0.362619 O\n0.791111 0.236968 0.298524 O\n0.226120 0.770882 0.037103 O\n0.611198 0.615619 0.394847 O\n0.387979 0.381837 0.944994 O\n0.603286 0.629162 0.721980 O\n0.772667 0.220868 0.637380 O\n0.773881 0.229119 0.962895 O\n0.396715 0.370839 0.278019 O\n0.208890 0.763033 0.701475 O\n0.612022 0.618164 0.055005 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Rb",
"density": 4.174701819198807,
"density_atomic": 0.05832938432704376,
"volume": 411.45642589737867,
"volume_molar": 10.324368805668849,
"formula_full": "Rb6 Mn6 O12",
"formula_reduced": "RbMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5793285603448275,
"spacegroup": 2
},
{
"id": "jvasp-98077",
"created_at": "2022-09-04T14:36:07.348560Z",
"updated_at": "2022-09-04T14:36:07.348589Z",
"structure_string": "Li2 U3 P4 O20\n1.0\n5.236978 -0.027967 -0.842375\n-2.458904 6.253312 -0.569426\n-0.010787 -0.083965 12.562914\nLi U P O\n2 3 4 20\ndirect\n0.386149 0.926642 0.185795 Li\n0.613851 0.073357 0.814205 Li\n0.882605 0.847918 0.631607 U\n0.117395 0.152080 0.368393 U\n0.000000 0.500000 -0.000000 U\n0.520602 0.421899 0.185819 P\n0.011751 0.667277 0.358059 P\n0.988249 0.332721 0.641941 P\n0.479398 0.578100 0.814181 P\n0.842996 0.175562 0.712892 O\n0.233712 0.955161 0.713818 O\n0.689311 0.560717 0.302579 O\n0.016256 0.811614 0.461188 O\n0.310689 0.439281 0.697421 O\n0.883252 0.511150 0.625666 O\n0.280364 0.623347 0.879137 O\n0.687600 0.782765 0.789190 O\n0.116748 0.488849 0.374333 O\n0.463572 0.243620 0.446391 O\n0.619067 0.436828 0.868235 O\n0.380933 0.563170 0.131764 O\n0.536428 0.756379 0.553608 O\n0.719636 0.376651 0.120862 O\n0.766288 0.044837 0.286181 O\n0.943232 0.220056 0.952665 O\n0.983743 0.188384 0.538812 O\n0.312400 0.217234 0.210809 O\n0.056768 0.779942 0.047334 O\n0.157004 0.824437 0.287108 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Li",
"U",
"P",
"O"
],
"chemical_system": "Li-O-P-U",
"density": 4.745291659499661,
"density_atomic": 0.07071949124853041,
"volume": 410.07082330506205,
"volume_molar": 8.515531791421282,
"formula_full": "Li2 U3 P4 O20",
"formula_reduced": "Li2U3(PO5)4",
"formula_anonymous": "A2B3C4D20",
"energy_above_hull": 3.4250979310344825,
"spacegroup": 2
},
{
"id": "jvasp-96077",
"created_at": "2022-09-04T14:36:07.481732Z",
"updated_at": "2022-09-04T14:36:07.481772Z",
"structure_string": "K12 Pb4 O10\n1.0\n6.357996 -0.020753 0.664292\n0.109437 7.470440 1.471097\n-0.008186 -0.025274 12.495587\nK Pb O\n12 4 10\ndirect\n0.781015 0.701710 0.124766 K\n0.588796 0.867219 0.625940 K\n0.411204 0.132782 0.374060 K\n0.218985 0.298291 0.875234 K\n0.435440 0.609904 0.364773 K\n0.564561 0.390096 0.635228 K\n0.920242 0.407940 0.384289 K\n0.079759 0.592060 0.615711 K\n0.315826 0.950149 0.122717 K\n0.684174 0.049852 0.877283 K\n0.304481 0.484735 0.123597 K\n0.695519 0.515266 0.876403 K\n0.915370 0.873001 0.355346 Pb\n0.237098 0.788747 0.865368 Pb\n0.762903 0.211254 0.134632 Pb\n0.084631 0.127000 0.644655 Pb\n0.646288 0.946705 0.244271 O\n0.353712 0.053296 0.755729 O\n0.516236 0.243799 0.024111 O\n0.483764 0.756202 0.975889 O\n0.746163 0.673840 0.480771 O\n0.253837 0.326161 0.519229 O\n0.622256 0.385212 0.242835 O\n0.377745 0.614789 0.757165 O\n0.084016 0.693395 0.258013 O\n0.915984 0.306606 0.741987 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "K-O-Pb",
"density": 4.077119194249213,
"density_atomic": 0.04378526661801967,
"volume": 593.8070499107065,
"volume_molar": 13.753806303240848,
"formula_full": "K12 Pb4 O10",
"formula_reduced": "K6Pb2O5",
"formula_anonymous": "A2B5C6",
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"spacegroup": 2
},
{
"id": "jvasp-96878",
"created_at": "2022-09-04T14:36:08.300321Z",
"updated_at": "2022-09-04T14:36:08.300342Z",
"structure_string": "Na10 P6 H4 O22\n1.0\n10.698082 0.064896 -1.643838\n-0.683893 6.864147 -5.250240\n0.040453 -0.137504 6.860797\nNa P H O\n10 6 4 22\ndirect\n0.244953 0.000879 0.085108 Na\n0.755047 0.999123 0.914894 Na\n0.250493 0.583967 0.539854 Na\n0.749506 0.416035 0.460147 Na\n0.246700 0.562385 0.013936 Na\n0.753299 0.437616 0.986066 Na\n0.495715 0.779242 0.451731 Na\n0.504285 0.220759 0.548271 Na\n0.006525 0.815546 0.521070 Na\n-0.006525 0.184455 0.478932 Na\n0.027399 0.317424 0.116520 P\n0.466369 0.311426 0.110901 P\n0.972601 0.682577 0.883481 P\n0.280563 0.048348 0.623468 P\n0.719437 0.951654 0.376533 P\n0.533631 0.688575 0.889101 P\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.975203 0.975413 0.943188 H\n0.024797 0.024589 0.056814 H\n0.807051 0.792256 0.320159 O\n0.192949 0.207746 0.679843 O\n0.871130 0.714175 0.735115 O\n0.128870 0.285827 0.264886 O\n0.065658 0.518415 0.174776 O\n0.894830 0.318619 0.175958 O\n0.934342 0.481587 0.825225 O\n0.600675 0.387069 0.156447 O\n0.105170 0.681382 0.824044 O\n0.399325 0.612933 0.843555 O\n0.581669 0.825034 0.193831 O\n0.543308 0.844151 0.841888 O\n0.378993 0.472988 0.243509 O\n0.621007 0.527013 0.756493 O\n0.758163 0.082602 0.315081 O\n0.241837 0.917400 0.684920 O\n0.680418 0.065309 0.635780 O\n0.319582 0.934693 0.364221 O\n0.418331 0.174968 0.806170 O\n0.994323 0.841744 0.178550 O\n0.456692 0.155851 0.158114 O\n0.005677 0.158257 0.821452 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
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"H",
"O"
],
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"density": 2.5802056979257775,
"density_atomic": 0.08456154684159271,
"volume": 496.67965604600016,
"volume_molar": 7.121606669850948,
"formula_full": "Na10 P6 H4 O22",
"formula_reduced": "Na5P3H2O11",
"formula_anonymous": "A2B3C5D11",
"energy_above_hull": 2.14017619047619,
"spacegroup": 2
},
{
"id": "jvasp-95217",
"created_at": "2022-09-04T14:36:08.557142Z",
"updated_at": "2022-09-04T14:36:08.557175Z",
"structure_string": "Sm2 P6 H10 N2 O20\n1.0\n6.740408 -0.006007 -1.952311\n0.432620 7.412984 -2.207213\n-0.039459 -0.020373 8.634931\nSm P H N O\n2 6 10 2 20\ndirect\n0.772244 0.369177 0.007783 Sm\n0.227756 0.630823 0.992218 Sm\n0.671027 0.694271 0.841919 P\n0.328973 0.305729 0.158081 P\n0.854971 0.965072 0.140068 P\n0.145029 0.034928 0.859932 P\n0.672236 0.772089 0.313205 P\n0.327765 0.227910 0.686796 P\n0.344032 0.694321 0.539443 H\n0.655968 0.305678 0.460557 H\n0.148001 0.602292 0.373855 H\n0.851999 0.397707 0.626145 H\n0.687540 0.802542 0.578977 H\n0.806529 0.181681 0.585111 H\n0.312461 0.197457 0.421023 H\n0.894759 0.251576 0.450051 H\n0.193472 0.818318 0.414890 H\n0.105241 0.748424 0.549949 H\n0.197450 0.714884 0.470009 N\n0.802550 0.285115 0.529992 N\n0.747688 0.855074 0.507533 O\n0.198381 0.392541 0.745680 O\n0.801619 0.607459 0.254320 O\n0.450438 0.753867 0.256250 O\n0.549562 0.246132 0.743750 O\n0.279577 0.061286 0.747767 O\n0.720423 0.938714 0.252233 O\n0.131807 0.834287 0.823011 O\n0.868193 0.165713 0.176989 O\n0.043930 0.849026 0.162892 O\n0.277903 0.099014 0.049650 O\n0.722098 0.900985 0.950350 O\n0.134227 0.425766 0.129910 O\n0.865773 0.574233 0.870091 O\n0.465654 0.368060 0.076730 O\n0.534346 0.631940 0.923270 O\n0.413529 0.296601 0.336580 O\n0.586471 0.703399 0.663420 O\n0.956070 0.150973 0.837109 O\n0.252312 0.144925 0.492467 O\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "H-N-O-P-Sm",
"density": 3.257059596398834,
"density_atomic": 0.09288877180700073,
"volume": 430.62255234798283,
"volume_molar": 6.4831740616750535,
"formula_full": "Sm2 P6 H10 N2 O20",
"formula_reduced": "SmP3H5NO10",
"formula_anonymous": "ABC3D5E10",
"energy_above_hull": 3.22503768125,
"spacegroup": 2
},
{
"id": "jvasp-62801",
"created_at": "2022-09-04T14:36:09.036484Z",
"updated_at": "2022-09-04T14:36:09.036510Z",
"structure_string": "Co4 B4 O10\n1.0\n3.109337 0.013949 0.025048\n-0.155313 6.261095 0.084189\n-0.092643 -2.243547 8.845149\nCo B O\n4 4 10\ndirect\n0.731160 0.215126 0.349107 Co\n0.268843 0.784873 0.650894 Co\n0.228267 0.381661 0.100075 Co\n0.771736 0.618338 0.899925 Co\n0.699074 0.687413 0.360244 B\n0.300929 0.312586 0.639756 B\n0.341815 0.883847 0.168278 B\n0.658189 0.116152 0.831722 B\n0.433964 0.135608 0.698880 O\n0.566039 0.864391 0.301121 O\n0.267385 0.515271 0.736693 O\n0.732618 0.484728 0.263308 O\n0.261521 0.700463 0.056234 O\n0.232869 0.095123 0.174546 O\n0.738482 0.299536 0.943766 O\n0.779173 0.727113 0.510401 O\n0.767134 0.904876 0.825454 O\n0.220830 0.272886 0.489599 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.217707258550107,
"density_atomic": 0.1041511880304016,
"volume": 172.82568101619563,
"volume_molar": 5.782114322346612,
"formula_full": "Co4 B4 O10",
"formula_reduced": "Co2B2O5",
"formula_anonymous": "A2B2C5",
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"spacegroup": 2
},
{
"id": "jvasp-85775",
"created_at": "2022-09-04T14:36:09.228285Z",
"updated_at": "2022-09-04T14:36:09.228307Z",
"structure_string": "K2 Co1 H2 Se2 O10\n1.0\n5.202958 -0.152198 -0.654238\n-2.123209 6.083917 -2.096478\n-0.281821 0.248192 7.391607\nK Co H Se O\n2 1 2 2 10\ndirect\n0.324932 0.686238 0.266690 K\n0.675068 0.313762 0.733310 K\n0.000000 0.000000 0.000000 Co\n0.949750 0.021043 0.310739 H\n0.050251 0.978957 0.689261 H\n0.333730 0.733469 0.777006 Se\n0.666270 0.266531 0.222994 Se\n0.920086 0.264653 0.099909 O\n0.079914 0.735347 0.900090 O\n0.377089 0.181655 0.030554 O\n0.622912 0.818345 0.969446 O\n0.668215 0.111923 0.361435 O\n0.260871 0.473609 0.654715 O\n0.080985 0.978443 0.240221 O\n0.331785 0.888077 0.638565 O\n0.739130 0.526391 0.345285 O\n0.919015 0.021557 0.759779 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"K",
"Co",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-K-O-Se",
"density": 3.2513845584420253,
"density_atomic": 0.0728274755816322,
"volume": 233.42838488126267,
"volume_molar": 8.269050536084823,
"formula_full": "K2 Co1 H2 Se2 O10",
"formula_reduced": "K2CoH2(SeO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy_above_hull": 2.402704625490196,
"spacegroup": 2
},
{
"id": "jvasp-99126",
"created_at": "2022-09-04T14:36:09.304112Z",
"updated_at": "2022-09-04T14:36:09.304143Z",
"structure_string": "Sr2 Zr2 P4 O16\n1.0\n5.147244 0.002174 -0.518507\n-0.063749 7.758582 -0.352341\n-0.006451 -0.018027 7.898412\nSr Zr P O\n2 2 4 16\ndirect\n0.696871 0.523475 0.770924 Sr\n0.303128 0.476524 0.229075 Sr\n0.340198 0.973694 0.277581 Zr\n0.659801 0.026305 0.722418 Zr\n0.199453 0.788913 0.873471 P\n0.212666 0.252248 0.629895 P\n0.787333 0.747751 0.370104 P\n0.800547 0.211085 0.126528 P\n0.260803 0.415170 0.541407 O\n0.563141 0.187945 0.231187 O\n0.926339 0.227669 0.668094 O\n0.739196 0.584829 0.458593 O\n0.407815 0.242461 0.794567 O\n0.592184 0.757538 0.205432 O\n0.073660 0.772330 0.331905 O\n0.049663 0.168100 0.242149 O\n0.769684 0.079500 0.974445 O\n0.230315 0.920499 0.025554 O\n0.189609 0.601298 0.922321 O\n0.950336 0.831898 0.757850 O\n0.307450 0.082865 0.534758 O\n0.692549 0.917134 0.465241 O\n0.810390 0.398700 0.077678 O\n0.436858 0.812054 0.768812 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Zr",
"P",
"O"
],
"chemical_system": "O-P-Sr-Zr",
"density": 3.8836272226866986,
"density_atomic": 0.0761017084849382,
"volume": 315.3674270630862,
"volume_molar": 7.913279320387243,
"formula_full": "Sr2 Zr2 P4 O16",
"formula_reduced": "SrZr(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.6990508175000003,
"spacegroup": 2
}
]
}