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=spacegroup&page=213",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=211",
"results": [
{
"id": "jvasp-10911",
"created_at": "2022-09-04T14:37:11.935441Z",
"updated_at": "2022-09-04T14:37:11.935466Z",
"structure_string": "Ca1 Co2 Si4 O12\n1.0\n5.125269 0.050984 1.083489\n1.281083 6.244114 0.591293\n0.115254 -0.013010 6.400492\nCa Co Si O\n1 2 4 12\ndirect\n0.750000 0.301823 0.698177 Ca\n0.249999 0.083073 0.916927 Co\n0.749999 0.912100 0.087898 Co\n0.279404 0.195548 0.383934 Si\n0.220595 0.616064 0.804451 Si\n0.767187 0.393139 0.201348 Si\n0.732813 0.798651 0.606861 Si\n0.634637 0.970739 0.806560 O\n0.865364 0.193438 0.029259 O\n0.707474 0.624205 0.082907 O\n0.792525 0.917091 0.375794 O\n0.314104 0.372415 0.900209 O\n0.502412 0.654559 0.640160 O\n-0.002413 0.359840 0.345439 O\n0.372346 0.029200 0.185654 O\n0.994928 0.621783 0.661218 O\n0.505070 0.338782 0.378216 O\n0.185895 0.099790 0.627584 O\n0.127653 0.814345 0.970800 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Si",
"O"
],
"chemical_system": "Ca-Co-O-Si",
"density": 3.7691781053851448,
"density_atomic": 0.09329251897574883,
"volume": 203.6604886286649,
"volume_molar": 6.455116472485259,
"formula_full": "Ca1 Co2 Si4 O12",
"formula_reduced": "CaCo2(SiO3)4",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 3.030374664210526,
"spacegroup": 5
},
{
"id": "jvasp-34841",
"created_at": "2022-09-04T14:37:12.043406Z",
"updated_at": "2022-09-04T14:37:12.043416Z",
"structure_string": "Fe1 As2 O7\n1.0\n4.994851 -0.146204 -0.808362\n1.062223 4.882786 0.808362\n-0.010341 0.013223 4.694705\nFe As O\n1 2 7\ndirect\n0.110755 0.110755 -0.000000 Fe\n0.686316 0.259941 0.402115 As\n0.259940 0.686317 0.597884 As\n0.836412 0.030659 0.727594 O\n0.854179 0.357676 0.120981 O\n0.396260 0.136667 0.298606 O\n0.030658 0.836412 0.272405 O\n0.357675 0.854180 0.879018 O\n0.136667 0.396261 0.701393 O\n0.578585 0.578586 0.499999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-O",
"density": 4.58229065157888,
"density_atomic": 0.08686367370272487,
"volume": 115.12292277924121,
"volume_molar": 6.932864456792011,
"formula_full": "Fe1 As2 O7",
"formula_reduced": "FeAs2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.8747923499999994,
"spacegroup": 5
},
{
"id": "jvasp-34621",
"created_at": "2022-09-04T14:37:12.434655Z",
"updated_at": "2022-09-04T14:37:12.434680Z",
"structure_string": "Si4 O8\n1.0\n5.096504 -0.095424 -0.766224\n-0.580727 5.064209 -0.766224\n-0.062498 -0.068767 6.828436\nSi O\n4 8\ndirect\n0.445615 0.188090 0.572369 Si\n0.811909 0.554385 0.427633 Si\n0.996372 0.998298 0.764610 Si\n0.001702 0.003625 0.235392 Si\n0.241251 0.209976 0.733432 O\n0.530654 0.469345 0.500001 O\n0.013999 0.707257 0.633908 O\n0.912928 0.287973 0.321171 O\n0.790022 0.758749 0.266570 O\n0.018840 0.981160 0.000001 O\n0.712026 0.087071 0.678831 O\n0.292742 0.986001 0.366094 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.2764039173279365,
"density_atomic": 0.06844795473111137,
"volume": 175.31568396952684,
"volume_molar": 8.798131052501384,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4115385333333337,
"spacegroup": 5
},
{
"id": "jvasp-79618",
"created_at": "2022-09-04T14:37:12.832309Z",
"updated_at": "2022-09-04T14:37:12.832332Z",
"structure_string": "In1 O1 F2\n1.0\n3.112180 2.478403 -0.454873\n3.112180 -2.478403 -0.454873\n0.029792 0.000000 -3.863218\nIn O F\n1 1 2\ndirect\n0.996483 0.003517 -0.000001 In\n0.172822 0.827178 0.499999 O\n0.852873 0.513180 0.151407 F\n0.486820 0.147126 0.848592 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"O",
"F"
],
"chemical_system": "F-In-O",
"density": 4.709036192468919,
"density_atomic": 0.06719453157298347,
"volume": 59.528653691936114,
"volume_molar": 8.962248294653323,
"formula_full": "In1 O1 F2",
"formula_reduced": "InOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1359325706249999,
"spacegroup": 5
},
{
"id": "jvasp-42707",
"created_at": "2022-09-04T14:37:12.879503Z",
"updated_at": "2022-09-04T14:37:12.879530Z",
"structure_string": "Mn8 O14 F2\n1.0\n-4.330658 0.000000 0.023066\n0.025025 5.382473 -4.832937\n0.025025 -5.382473 -4.832937\nMn O F\n8 14 2\ndirect\n0.523899 0.685194 0.053015 Mn\n0.500002 0.301302 0.948698 Mn\n0.476104 0.196985 0.564805 Mn\n0.500002 0.803931 0.446070 Mn\n0.980133 0.948213 0.793120 Mn\n0.000001 0.553092 0.696909 Mn\n0.019870 0.456880 0.301788 Mn\n0.000000 0.052079 0.197922 Mn\n0.233180 0.770405 0.652077 O\n0.233447 0.266614 0.154934 O\n0.225942 0.400628 0.519267 O\n0.260615 0.019420 0.399145 O\n0.271067 0.517274 0.901614 O\n0.269625 0.654282 0.262991 O\n0.254830 0.151937 0.770740 O\n0.728936 0.348387 0.732727 O\n0.745172 0.479260 0.098063 O\n0.730378 0.987009 0.595719 O\n0.766823 0.597924 0.479595 O\n0.774061 0.730733 0.849373 O\n0.766555 0.095066 0.983386 O\n0.739387 0.850855 0.230580 O\n0.750823 0.231991 0.349462 F\n0.249180 0.900537 0.018009 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.170200610325563,
"density_atomic": 0.10652372426885208,
"volume": 225.3019237238374,
"volume_molar": 5.6533329090155515,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.269639479001437,
"spacegroup": 5
},
{
"id": "jvasp-34254",
"created_at": "2022-09-04T14:37:13.290290Z",
"updated_at": "2022-09-04T14:37:13.290307Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.316832 0.001850 -2.764850\n-1.315485 5.958318 -2.532750\n-0.334998 -0.449453 5.849152\nRb C O\n4 1 4\ndirect\n0.018555 0.583262 0.374368 Rb\n0.183868 0.164079 0.759944 Rb\n0.424056 0.835681 0.240156 Rb\n0.643961 0.416629 0.625289 Rb\n0.872931 0.000068 0.000054 C\n0.135941 0.167640 0.244890 O\n0.793359 0.879920 0.109391 O\n0.684449 0.120516 0.890487 O\n0.891379 0.832208 0.755423 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 4.031814296494428,
"density_atomic": 0.05229291673330343,
"volume": 172.10743944348073,
"volume_molar": 11.516169179686853,
"formula_full": "Rb4 C1 O4",
"formula_reduced": "Rb4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.4080737777777776,
"spacegroup": 5
},
{
"id": "jvasp-34267",
"created_at": "2022-09-04T14:37:15.712620Z",
"updated_at": "2022-09-04T14:37:15.712640Z",
"structure_string": "Li4 C1 O4\n1.0\n4.175075 -0.000265 -1.933796\n-0.953450 4.131470 -2.058666\n-0.203752 -0.645223 5.033803\nLi C O\n4 1 4\ndirect\n0.285892 0.354742 0.254442 Li\n0.765718 0.770655 0.309380 Li\n0.456303 0.229336 0.690628 Li\n0.031430 0.645232 0.745568 Li\n0.745372 0.000005 -0.000007 C\n0.814373 0.028439 0.767415 O\n0.046947 0.971581 0.232566 O\n0.673379 0.307551 0.203203 O\n0.470171 0.692455 0.796794 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 2.1961285479347485,
"density_atomic": 0.11470166626892812,
"volume": 78.46442246879579,
"volume_molar": 5.250264408435499,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.214243777777778,
"spacegroup": 5
},
{
"id": "jvasp-43950",
"created_at": "2022-09-04T14:37:18.220901Z",
"updated_at": "2022-09-04T14:37:18.220921Z",
"structure_string": "Li4 Mn2 F8\n1.0\n4.571041 2.682332 0.101605\n-4.571041 2.682332 -0.101605\n0.020020 0.000000 6.071104\nLi Mn F\n4 2 8\ndirect\n0.318669 0.635709 0.173137 Li\n0.017055 0.017055 0.500000 Li\n0.025075 0.025075 0.000000 Li\n0.635709 0.318669 0.826862 Li\n0.394516 0.707924 0.683103 Mn\n0.707924 0.394516 0.316896 Mn\n0.352514 0.902791 0.959542 F\n0.149266 0.706574 0.427601 F\n0.263208 0.280179 0.735758 F\n0.787671 0.730007 0.753729 F\n0.730007 0.787671 0.246271 F\n0.280179 0.263208 0.264241 F\n0.706574 0.149266 0.572398 F\n0.902791 0.352514 0.040458 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.2306888681153314,
"density_atomic": 0.09404474959402169,
"volume": 148.8653014701627,
"volume_molar": 6.403484283808248,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4251626244827583,
"spacegroup": 5
},
{
"id": "jvasp-49579",
"created_at": "2022-09-04T14:37:18.691248Z",
"updated_at": "2022-09-04T14:37:18.691278Z",
"structure_string": "Ca5 Sc2 Co2 O12\n1.0\n6.334864 -0.055341 -0.325572\n-0.333856 6.375307 -0.195580\n-0.050608 0.076874 6.386375\nCa Sc Co O\n5 2 2 12\ndirect\n0.112045 0.743000 0.378809 Ca\n0.387954 0.121190 0.757001 Ca\n0.624388 0.888721 0.246766 Ca\n0.875610 0.253234 0.611280 Ca\n0.249999 0.616519 0.883481 Ca\n0.250000 0.253629 0.246371 Sc\n0.749999 0.740464 0.759536 Sc\n0.496182 0.502599 0.497860 Co\n0.003817 0.002140 0.997401 Co\n0.453846 0.786041 0.588745 O\n0.394945 0.558148 0.219346 O\n0.205675 0.413448 0.539062 O\n0.574694 0.454132 0.780410 O\n0.717319 0.030591 0.901770 O\n0.046152 0.911255 0.713960 O\n0.294324 0.960938 0.086552 O\n0.925304 0.719591 0.045868 O\n0.105054 0.280654 0.941853 O\n0.968555 0.072774 0.288934 O\n0.531444 0.211067 0.427227 O\n0.782679 0.598231 0.469409 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Sc",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-Sc",
"density": 3.865682138128731,
"density_atomic": 0.08145702738411342,
"volume": 257.8046446621944,
"volume_molar": 7.393027898750083,
"formula_full": "Ca5 Sc2 Co2 O12",
"formula_reduced": "Ca5Sc2(CoO6)2",
"formula_anonymous": "A2B2C5D12",
"energy_above_hull": 2.1944355428571427,
"spacegroup": 5
},
{
"id": "jvasp-30626",
"created_at": "2022-09-04T14:37:18.741585Z",
"updated_at": "2022-09-04T14:37:18.741615Z",
"structure_string": "Sb2 F8\n1.0\n4.432894 -0.233559 -2.635593\n-0.771175 4.814053 -1.698002\n-0.669478 0.487595 6.067112\nSb F\n2 8\ndirect\n-0.001754 0.498972 -0.001308 Sb\n0.498228 -0.001286 -0.001144 Sb\n0.007305 0.266852 0.230044 F\n0.535450 0.277576 0.767442 F\n0.123662 0.592624 0.763860 F\n-0.017533 0.138699 0.754558 F\n0.326007 0.858623 0.233703 F\n0.460491 0.402500 0.229527 F\n0.881086 0.726710 0.242699 F\n0.671704 0.731362 0.768089 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sb",
"F"
],
"chemical_system": "F-Sb",
"density": 5.284396912906449,
"density_atomic": 0.08046220142742591,
"volume": 124.28195876569012,
"volume_molar": 7.484434496155017,
"formula_full": "Sb2 F8",
"formula_reduced": "SbF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0272740565,
"spacegroup": 5
},
{
"id": "jvasp-29796",
"created_at": "2022-09-04T14:37:18.860266Z",
"updated_at": "2022-09-04T14:37:18.860294Z",
"structure_string": "U1 H2 O4\n1.0\n2.901045 2.902253 0.692963\n0.570975 3.539057 6.286306\n3.524419 0.584718 6.293210\nU H O\n1 2 4\ndirect\n0.024454 0.966741 0.028401 U\n0.492998 0.924797 0.597447 H\n0.555930 0.397697 0.070343 H\n0.372530 0.781372 0.847081 O\n0.676394 0.148047 0.213781 O\n0.524455 0.967320 0.027820 O\n0.024449 0.462497 0.532643 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"U",
"H",
"O"
],
"chemical_system": "H-O-U",
"density": 5.0787477295952534,
"density_atomic": 0.07041601536517908,
"volume": 99.40920348443231,
"volume_molar": 8.55223166032477,
"formula_full": "U1 H2 O4",
"formula_reduced": "U(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0681285714285718,
"spacegroup": 5
},
{
"id": "jvasp-11572",
"created_at": "2022-09-04T14:37:20.053923Z",
"updated_at": "2022-09-04T14:37:20.053940Z",
"structure_string": "Bi2 F8\n1.0\n-5.318339 0.072927 0.656723\n-0.004176 -5.325264 0.600250\n2.050219 1.977700 4.272000\nBi F\n2 8\ndirect\n-0.000798 0.501256 0.001269 Bi\n0.498274 0.002170 0.001213 Bi\n0.770560 0.737650 0.761909 F\n0.762581 0.730182 0.240573 F\n0.368079 0.404835 0.243366 F\n0.237574 0.869053 0.256573 F\n0.095763 0.132155 0.759146 F\n0.234582 0.601228 0.759622 F\n0.631604 0.262688 0.745906 F\n0.898963 0.266139 0.242950 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 7.03350823173755,
"density_atomic": 0.07431691087654824,
"volume": 134.55887606269764,
"volume_molar": 8.103324921569596,
"formula_full": "Bi2 F8",
"formula_reduced": "BiF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0696860565,
"spacegroup": 5
}
]
}