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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=44",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=42",
"results": [
{
"id": "jvasp-9526",
"created_at": "2022-09-04T14:37:18.819137Z",
"updated_at": "2022-09-04T14:37:18.819164Z",
"structure_string": "Zn2 Cr2 S2 F10\n1.0\n5.970665 -1.105257 0.080465\n0.614326 6.799544 1.162688\n1.889676 2.109252 6.592397\nZn Cr S F\n2 2 2 10\ndirect\n0.527563 0.347278 0.859624 Zn\n0.127411 -0.012986 0.475416 Zn\n0.043869 0.479792 0.454361 Cr\n0.029557 0.462118 -0.030769 Cr\n0.341154 0.045320 0.843124 S\n0.461595 0.144291 0.532629 S\n0.115158 0.192619 0.160724 F\n-0.073368 0.172191 0.555780 F\n0.955129 0.729019 0.772441 F\n0.187004 0.781215 0.359007 F\n0.339679 0.444040 0.344439 F\n0.706463 0.312541 0.065522 F\n0.749018 0.529373 0.560714 F\n0.358873 0.582249 0.855790 F\n0.982112 0.563906 0.178894 F\n0.080800 0.376260 0.745185 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Cr",
"S",
"F"
],
"chemical_system": "Cr-F-S-Zn",
"density": 3.1949540350925094,
"density_atomic": 0.06296423590706764,
"volume": 254.11250957790193,
"volume_molar": 9.564383134718586,
"formula_full": "Zn2 Cr2 S2 F10",
"formula_reduced": "ZnCrSF5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 0.3693286515625,
"spacegroup": 1
},
{
"id": "jvasp-43518",
"created_at": "2022-09-04T14:37:18.879034Z",
"updated_at": "2022-09-04T14:37:18.879079Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n4.825525 -0.025087 -0.022818\n0.251679 5.561854 0.007500\n0.192159 0.712366 7.542454\nLi V O F\n1 6 7 5\ndirect\n0.496636 0.847166 0.152773 Li\n-0.000457 0.005256 0.971658 V\n0.441900 0.462387 -0.000259 V\n0.558469 0.213885 0.327274 V\n0.519875 0.844433 0.668131 V\n0.989945 0.671702 0.339197 V\n0.987646 0.313557 0.668317 V\n0.829791 0.377690 0.433393 O\n0.813697 0.017685 0.751515 O\n0.678522 0.882716 0.415587 O\n0.326351 0.796799 0.910513 O\n0.323055 0.501178 0.237856 O\n0.175424 0.300255 0.896978 O\n0.679230 0.178763 0.089024 O\n0.673501 0.511687 0.763892 F\n0.175554 0.992177 0.228469 F\n0.185138 0.648344 0.579311 F\n0.326731 0.157483 0.564886 F\n0.820293 0.685699 0.089433 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.261206300619063,
"density_atomic": 0.09383966828431804,
"volume": 202.4730089884085,
"volume_molar": 6.417478738047059,
"formula_full": "Li1 V6 O7 F5",
"formula_reduced": "LiV6O7F5",
"formula_anonymous": "AB5C6D7",
"energy_above_hull": 2.714133216447369,
"spacegroup": 1
},
{
"id": "jvasp-34650",
"created_at": "2022-09-04T14:37:19.332917Z",
"updated_at": "2022-09-04T14:37:19.332933Z",
"structure_string": "Si4 O8\n1.0\n-5.179253 -0.004868 0.091283\n0.682957 5.488951 -0.097670\n0.044482 -2.205989 -6.071411\nSi O\n4 8\ndirect\n0.684892 0.769790 0.748565 Si\n0.947018 0.301885 0.797792 Si\n0.842450 0.900592 0.351753 Si\n0.312921 0.735862 0.045275 Si\n0.952851 0.182756 0.530471 O\n0.830156 0.063196 0.879915 O\n0.758822 0.704342 0.492976 O\n0.571822 0.872396 0.208058 O\n0.075344 0.845315 0.188599 O\n0.221700 0.420607 0.949551 O\n0.377850 0.791833 0.811784 O\n0.771546 0.538900 0.831643 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.299722178513946,
"density_atomic": 0.06914909887952844,
"volume": 173.5380531987322,
"volume_molar": 8.708921529826114,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4377418666666668,
"spacegroup": 1
},
{
"id": "jvasp-9528",
"created_at": "2022-09-04T14:37:19.917149Z",
"updated_at": "2022-09-04T14:37:19.917172Z",
"structure_string": "Mg2 V2 S2 F10\n1.0\n5.483254 0.071706 -0.020366\n-1.001423 6.048677 0.140537\n-1.598826 -2.124742 6.795691\nMg V S F\n2 2 2 10\ndirect\n0.390946 0.589800 0.681264 Mg\n0.632302 0.464970 0.236575 Mg\n0.513202 0.954169 0.446009 V\n0.960614 0.370855 0.933435 V\n0.922459 0.069744 0.716088 S\n0.102274 0.006675 0.336458 S\n0.271905 0.346194 0.091048 F\n0.574571 0.640702 0.480817 F\n0.972170 0.634048 0.216633 F\n0.181591 0.317476 0.462960 F\n0.629016 0.235337 0.402690 F\n0.747757 0.229586 0.064278 F\n0.392562 0.907615 0.669802 F\n0.148869 0.589072 0.838170 F\n0.528241 0.789244 0.204300 F\n0.661742 0.487519 0.833226 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"V",
"S",
"F"
],
"chemical_system": "F-Mg-S-V",
"density": 2.9564044518881554,
"density_atomic": 0.07040464391696982,
"volume": 227.25773627758488,
"volume_molar": 8.553612979141091,
"formula_full": "Mg2 V2 S2 F10",
"formula_reduced": "MgVSF5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 0.3497630828125,
"spacegroup": 1
},
{
"id": "jvasp-9532",
"created_at": "2022-09-04T14:37:20.061313Z",
"updated_at": "2022-09-04T14:37:20.061339Z",
"structure_string": "Zn2 Co2 F8\n1.0\n-5.182331 0.017981 0.112501\n-0.006870 -5.064907 0.161239\n2.427401 2.273507 4.929341\nZn Co F\n2 2 8\ndirect\n0.724152 0.771260 0.509325 Zn\n0.284611 0.265819 0.518077 Zn\n0.526296 0.020970 0.023000 Co\n0.032911 0.489885 0.021723 Co\n0.016620 0.630766 0.745323 F\n0.345796 0.888183 0.249121 F\n0.928776 0.291030 0.237523 F\n0.433080 0.389434 0.255086 F\n0.680382 0.172421 0.745949 F\n0.186189 0.145863 0.764467 F\n0.498163 0.674501 0.717870 F\n0.825562 0.787142 0.220959 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"Co",
"F"
],
"chemical_system": "Co-F-Zn",
"density": 5.014770851418156,
"density_atomic": 0.09044710365598915,
"volume": 132.67423184319284,
"volume_molar": 6.658190828204847,
"formula_full": "Zn2 Co2 F8",
"formula_reduced": "ZnCoF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-42975",
"created_at": "2022-09-04T14:37:27.058164Z",
"updated_at": "2022-09-04T14:37:27.058179Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n-5.162115 -0.027115 0.016678\n2.396326 5.417612 0.025328\n-0.072436 -2.289794 -8.751923\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.259302 0.683536 0.188772 Li\n0.756615 0.681008 0.689730 Li\n0.243654 0.321835 0.312097 Li\n0.739445 0.314946 0.809333 Li\n0.790114 0.769377 0.376740 Mn\n0.285997 0.758793 0.872494 Mn\n0.713376 0.237468 0.125078 Mn\n0.212277 0.233234 0.626195 Fe\n0.720833 0.261068 0.463550 B\n0.222226 0.256674 0.959647 B\n0.777771 0.739998 0.038251 B\n0.279212 0.741847 0.538371 B\n0.947906 0.188234 0.443321 O\n0.557776 0.820822 0.062943 O\n0.058237 0.821768 0.565002 O\n0.368827 0.705550 0.394076 O\n0.894844 0.690636 0.158022 O\n0.397657 0.690278 0.656174 O\n0.132426 0.297894 0.103525 O\n0.867470 0.699542 0.894333 O\n0.606165 0.309469 0.342964 O\n0.104538 0.305095 0.838912 O\n0.620563 0.293558 0.605294 O\n0.442760 0.177358 0.935166 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.294157597240715,
"density_atomic": 0.0984388210351764,
"volume": 243.8062519198983,
"volume_molar": 6.117648196790199,
"formula_full": "Li4 Mn3 Fe1 B4 O12",
"formula_reduced": "Li4Mn3Fe(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy_above_hull": 3.4060037315613023,
"spacegroup": 1
},
{
"id": "jvasp-42971",
"created_at": "2022-09-04T14:37:27.224569Z",
"updated_at": "2022-09-04T14:37:27.224581Z",
"structure_string": "Li3 Si2 Ni2 O8\n1.0\n4.940719 -0.005086 0.003592\n0.041129 5.300170 0.035650\n0.018748 0.043212 6.320175\nLi Si Ni O\n3 2 2 8\ndirect\n0.496278 0.173140 0.998582 Li\n0.997753 0.826464 0.498789 Li\n0.003017 0.340329 0.246057 Li\n0.991331 0.324172 0.748441 Si\n0.493797 0.677405 0.245551 Si\n0.991423 0.826865 0.978527 Ni\n0.505279 0.165570 0.497344 Ni\n0.103571 0.184189 0.968810 O\n0.661280 0.283446 0.745716 O\n0.069709 0.623804 0.747220 O\n0.110411 0.189182 0.530065 O\n0.603891 0.827765 0.454460 O\n0.598723 0.378842 0.254827 O\n0.158346 0.686576 0.236912 O\n0.615335 0.825929 0.036521 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 3.234596962781703,
"density_atomic": 0.09063577104904597,
"volume": 165.49757150389345,
"volume_molar": 6.644331140230742,
"formula_full": "Li3 Si2 Ni2 O8",
"formula_reduced": "Li3Si2(NiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.3233853333333334,
"spacegroup": 1
},
{
"id": "jvasp-9800",
"created_at": "2022-09-04T14:37:27.630647Z",
"updated_at": "2022-09-04T14:37:27.630657Z",
"structure_string": "Zn2 Bi4 O10\n1.0\n-3.799462 -0.069595 0.123475\n-0.103259 -5.238345 0.158742\n1.315969 0.730733 11.825253\nZn Bi O\n2 4 10\ndirect\n0.376875 0.795036 0.773039 Zn\n0.975304 0.132063 0.206270 Zn\n0.977384 0.279211 0.865058 Bi\n0.440387 0.602397 0.095642 Bi\n0.051982 0.684749 0.393871 Bi\n0.641880 0.275137 0.574746 Bi\n0.012579 0.535656 0.226971 O\n0.644534 0.493024 0.736585 O\n0.180284 0.646915 0.909607 O\n0.958247 0.312736 0.046762 O\n0.097706 0.535413 0.560689 O\n0.562803 0.512305 0.403384 O\n0.035885 0.053072 0.708291 O\n0.033158 0.074399 0.403653 O\n0.477441 -0.012288 0.190901 O\n0.504950 0.077328 0.889701 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zn",
"density": 7.9098107938179645,
"density_atomic": 0.06764189015298794,
"volume": 236.53981229401282,
"volume_molar": 8.902975281115774,
"formula_full": "Zn2 Bi4 O10",
"formula_reduced": "ZnBi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.6538808125,
"spacegroup": 1
},
{
"id": "jvasp-42966",
"created_at": "2022-09-04T14:37:27.659479Z",
"updated_at": "2022-09-04T14:37:27.659507Z",
"structure_string": "Mn1 V1 P4 O14\n1.0\n4.771220 -0.076638 -0.080423\n2.070830 6.589824 -0.137638\n0.035519 0.182731 7.838893\nMn V P O\n1 1 4 14\ndirect\n0.783557 0.728010 0.006045 Mn\n0.217966 0.271782 0.505749 V\n0.398058 0.494234 0.183704 P\n0.217746 0.896663 0.777387 P\n0.766517 0.098841 0.267576 P\n0.613837 0.509468 0.690217 P\n0.854728 0.469054 0.559113 O\n0.725736 0.516174 0.873184 O\n0.607267 0.626744 0.188310 O\n0.410221 0.899498 0.935768 O\n0.402186 0.729565 0.647042 O\n0.579639 0.266478 0.135787 O\n0.283285 0.482671 0.363285 O\n0.432235 0.359167 0.681912 O\n0.873778 0.907961 0.164048 O\n0.160997 0.549394 0.046146 O\n0.140522 0.090677 0.673104 O\n0.026933 0.170966 0.326023 O\n0.574047 0.084410 0.419550 O\n0.936055 0.843628 0.819608 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Mn-O-P-V",
"density": 3.04050664089173,
"density_atomic": 0.08070393635293335,
"volume": 247.81938656048044,
"volume_molar": 7.4620161446203275,
"formula_full": "Mn1 V1 P4 O14",
"formula_reduced": "MnV(P2O7)2",
"formula_anonymous": "ABC4D14",
"energy_above_hull": 3.320686622068965,
"spacegroup": 1
},
{
"id": "jvasp-30535",
"created_at": "2022-09-04T14:37:27.767190Z",
"updated_at": "2022-09-04T14:37:27.767199Z",
"structure_string": "Mg1 Sb4 O8\n1.0\n3.178439 -0.349097 0.718256\n0.361981 6.960054 1.879686\n-0.144198 1.286133 8.741740\nMg Sb O\n1 4 8\ndirect\n0.267678 0.128562 0.013817 Mg\n0.369210 0.098856 0.688273 Sb\n0.140427 0.522149 0.283347 Sb\n0.861030 0.521448 0.817045 Sb\n0.582259 0.883156 0.397610 Sb\n0.984213 0.730533 0.580357 O\n0.386337 0.362941 0.758207 O\n0.582938 0.594385 0.395015 O\n0.034393 0.262407 0.488729 O\n0.839815 0.036396 0.872906 O\n0.750975 0.293115 0.039564 O\n0.162328 0.886166 0.230248 O\n0.335877 0.655982 0.865535 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.648384658760065,
"density_atomic": 0.06916502003387628,
"volume": 187.95628185508716,
"volume_molar": 8.706916815827453,
"formula_full": "Mg1 Sb4 O8",
"formula_reduced": "Mg(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.2318601115384618,
"spacegroup": 1
},
{
"id": "jvasp-50685",
"created_at": "2022-09-04T14:37:28.257081Z",
"updated_at": "2022-09-04T14:37:28.257104Z",
"structure_string": "Li2 Cu3 F8\n1.0\n5.372951 0.445241 -0.197559\n2.675782 5.191878 -0.299503\n1.365260 0.864496 5.339288\nLi Cu F\n2 3 8\ndirect\n0.323035 0.421343 0.821264 Li\n0.548603 0.708528 0.126583 Li\n0.054236 0.293008 0.357911 Cu\n-0.008212 0.992706 0.015512 Cu\n0.735580 0.905194 0.598320 Cu\n0.363285 0.128499 0.088234 F\n0.326143 0.228001 0.564660 F\n0.132155 0.813556 0.327358 F\n0.352493 0.717129 0.865494 F\n0.755709 0.309470 0.196383 F\n0.795628 0.162050 0.719797 F\n0.721580 0.662282 0.431055 F\n0.899583 0.658242 0.887437 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 4.090204656595899,
"density_atomic": 0.08981956702327844,
"volume": 144.73460996122154,
"volume_molar": 6.704709184847495,
"formula_full": "Li2 Cu3 F8",
"formula_reduced": "Li2Cu3F8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 0.176314230769231,
"spacegroup": 1
},
{
"id": "jvasp-42313",
"created_at": "2022-09-04T14:37:28.345854Z",
"updated_at": "2022-09-04T14:37:28.345886Z",
"structure_string": "Mn6 O5 F7\n1.0\n4.676001 -0.045458 -0.001515\n0.411859 5.601083 -0.001344\n0.474774 0.526080 7.783134\nMn O F\n6 5 7\ndirect\n0.498461 0.486475 0.010009 Mn\n0.563477 0.827389 0.660001 Mn\n0.507434 0.169198 0.322342 Mn\n0.972918 0.330816 0.679226 Mn\n0.006901 0.671411 0.333126 Mn\n0.969782 0.001682 0.990614 Mn\n0.297985 0.461183 0.233732 O\n0.708817 0.886405 0.419367 O\n0.697827 0.530201 0.787860 O\n0.697745 0.203610 0.101747 O\n0.812725 0.043049 0.771319 O\n0.796628 0.392790 0.437369 F\n0.786064 0.697247 0.098420 F\n0.291710 0.139233 0.555729 F\n0.291989 0.790735 0.903182 F\n0.194935 0.622473 0.581727 F\n0.187829 0.954967 0.212117 F\n0.216768 0.291125 0.902112 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.4168610159787605,
"density_atomic": 0.08823605292819504,
"volume": 203.99824564510024,
"volume_molar": 6.825034167043615,
"formula_full": "Mn6 O5 F7",
"formula_reduced": "Mn6O5F7",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.425330718098659,
"spacegroup": 1
}
]
}