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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4024",
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"results": [
{
"id": "jvasp-45920",
"created_at": "2022-09-04T14:38:04.012036Z",
"updated_at": "2022-09-04T14:38:04.012062Z",
"structure_string": "Mn4 O4 F4\n1.0\n0.000000 5.086092 -0.118582\n4.585275 0.000000 0.000000\n0.000000 -0.130892 -5.667085\nMn O F\n4 4 4\ndirect\n0.224553 0.518569 0.655540 Mn\n0.224553 0.981433 0.155540 Mn\n0.775447 0.018568 0.844459 Mn\n0.775447 0.481432 0.344459 Mn\n0.082228 0.781404 0.885595 O\n0.082228 0.718598 0.385596 O\n0.917772 0.281403 0.614403 O\n0.917772 0.218597 0.114404 O\n0.427853 0.241911 0.879547 F\n0.427853 0.258089 0.379548 F\n0.572147 0.741912 0.620451 F\n0.572147 0.758090 0.120451 F\n",
"nsites": 12,
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],
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"density": 4.517506562902647,
"density_atomic": 0.09074821984752801,
"volume": 132.2339988614871,
"volume_molar": 6.636097953346292,
"formula_full": "Mn4 O4 F4",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
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"spacegroup": 14
},
{
"id": "jvasp-57803",
"created_at": "2022-09-04T14:38:04.095563Z",
"updated_at": "2022-09-04T14:38:04.095591Z",
"structure_string": "Pb2 Se4 O12\n1.0\n0.000000 4.865816 -0.161544\n8.849172 0.000000 0.000000\n0.000000 -2.246455 -6.682873\nPb Se O\n2 4 12\ndirect\n0.500001 0.500000 0.499999 Pb\n0.500000 0.000000 -0.000000 Pb\n0.113455 0.655361 0.818510 Se\n0.886546 0.344639 0.181488 Se\n0.113455 0.844638 0.318511 Se\n0.886547 0.155361 0.681488 Se\n0.854526 0.662797 0.587255 O\n0.769977 0.163121 0.210608 O\n0.769978 0.336879 0.710608 O\n0.382069 0.546281 0.773824 O\n0.617933 0.046281 0.726175 O\n0.230024 0.836878 0.789391 O\n0.230024 0.663121 0.289391 O\n0.145476 0.337203 0.412744 O\n0.145476 0.162797 0.912744 O\n0.382069 0.953719 0.273824 O\n0.617932 0.453719 0.226175 O\n0.854525 0.837203 0.087255 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pb",
"Se",
"O"
],
"chemical_system": "O-Pb-Se",
"density": 5.26317964125966,
"density_atomic": 0.06186300853798904,
"volume": 290.9654804283646,
"volume_molar": 9.734639330225757,
"formula_full": "Pb2 Se4 O12",
"formula_reduced": "Pb(SeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.2078509503703705,
"spacegroup": 14
},
{
"id": "jvasp-45921",
"created_at": "2022-09-04T14:38:04.083054Z",
"updated_at": "2022-09-04T14:38:04.083081Z",
"structure_string": "V4 O4 F4\n1.0\n0.000000 5.099089 -0.105507\n4.580633 0.000000 0.000000\n0.000000 -0.117030 -5.630498\nV O F\n4 4 4\ndirect\n0.221089 0.482174 0.354983 V\n0.221089 0.017825 0.854983 V\n0.778912 0.982174 0.145018 V\n0.778912 0.517825 0.645018 V\n0.084588 0.227320 0.123613 O\n0.084588 0.272680 0.623614 O\n0.915413 0.727319 0.376387 O\n0.915413 0.772680 0.876387 O\n0.418391 0.760734 0.117495 F\n0.418391 0.739265 0.617495 F\n0.581609 0.260734 0.382506 F\n0.581609 0.239266 0.882506 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.338596701201226,
"density_atomic": 0.09120730238083173,
"volume": 131.5684126901876,
"volume_molar": 6.602695839917333,
"formula_full": "V4 O4 F4",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0541226608333334,
"spacegroup": 14
},
{
"id": "jvasp-30444",
"created_at": "2022-09-04T14:38:04.116170Z",
"updated_at": "2022-09-04T14:38:04.116194Z",
"structure_string": "Mg2 H8 N4 O16\n1.0\n5.645984 0.000000 0.034188\n0.000000 5.966101 0.000000\n-0.082272 0.000000 8.546176\nMg H N O\n2 8 4 16\ndirect\n0.000000 0.500001 0.000000 Mg\n0.999998 0.000000 0.500001 Mg\n0.581158 0.276114 -0.011469 H\n0.218087 0.834556 0.110804 H\n0.781911 0.334554 0.389198 H\n0.418843 0.776115 0.511471 H\n0.581157 0.223885 0.488530 H\n0.218088 0.665445 0.610804 H\n0.781912 0.165445 0.889197 H\n0.418844 0.723886 0.011470 H\n0.252673 0.149201 0.800548 N\n0.747328 0.649203 0.699453 N\n0.747327 0.850798 0.199452 N\n0.252672 0.350796 0.300547 N\n0.246192 0.749099 0.513373 O\n0.948416 0.614803 0.764678 O\n0.561622 0.574586 0.754970 O\n0.438380 0.074587 0.745032 O\n0.051583 0.114803 0.735323 O\n0.743171 0.765729 0.572693 O\n0.753808 0.250900 0.486627 O\n0.246191 0.750901 0.013374 O\n0.948417 0.885197 0.264679 O\n0.561620 0.925412 0.254969 O\n0.438378 0.425415 0.245030 O\n0.051584 0.385197 0.235323 O\n0.743172 0.734271 0.072692 O\n0.256828 0.265728 0.927308 O\n0.256829 0.234272 0.427308 O\n0.753809 0.249098 0.986628 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Mg",
"H",
"N",
"O"
],
"chemical_system": "H-Mg-N-O",
"density": 2.1265907070107506,
"density_atomic": 0.10420627278836056,
"volume": 287.8905386140141,
"volume_molar": 5.779057823352694,
"formula_full": "Mg2 H8 N4 O16",
"formula_reduced": "MgH4(NO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.1668702366666666,
"spacegroup": 14
},
{
"id": "jvasp-30187",
"created_at": "2022-09-04T14:38:04.239800Z",
"updated_at": "2022-09-04T14:38:04.239822Z",
"structure_string": "Tm4 H12 O12\n1.0\n5.805954 0.000000 0.480603\n0.000000 10.316920 0.000000\n0.415809 0.000000 4.935470\nTm H O\n4 12 12\ndirect\n0.098923 0.341108 0.943606 Tm\n0.401077 0.841108 0.056393 Tm\n0.598923 0.158892 0.943606 Tm\n0.901076 0.658892 0.056393 Tm\n0.872056 0.195948 0.365858 H\n0.840716 0.927726 0.800479 H\n0.695560 0.863590 0.449289 H\n0.659284 0.427726 0.199521 H\n0.627943 0.695948 0.634141 H\n0.804439 0.363590 0.550710 H\n0.340716 0.572274 0.800479 H\n0.304439 0.136410 0.550710 H\n0.195561 0.636410 0.449290 H\n0.159284 0.072274 0.199521 H\n0.127943 0.804052 0.634141 H\n0.372057 0.304052 0.365859 H\n0.663428 0.794004 0.323149 O\n0.836571 0.294004 0.676850 O\n0.600517 0.673012 0.831598 O\n0.681983 0.960906 0.789362 O\n0.318016 0.039094 0.210637 O\n0.336571 0.205996 0.676850 O\n0.163429 0.705996 0.323150 O\n0.100518 0.826988 0.831598 O\n0.181984 0.539094 0.789362 O\n0.899482 0.173012 0.168401 O\n0.399482 0.326988 0.168402 O\n0.818016 0.460906 0.210637 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tm",
"H",
"O"
],
"chemical_system": "H-O-Tm",
"density": 4.976597770717311,
"density_atomic": 0.09537734213785687,
"volume": 293.5707723908814,
"volume_molar": 6.314016122713606,
"formula_full": "Tm4 H12 O12",
"formula_reduced": "Tm(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.366987821428572,
"spacegroup": 14
},
{
"id": "jvasp-24765",
"created_at": "2022-09-04T14:38:04.427917Z",
"updated_at": "2022-09-04T14:38:04.427948Z",
"structure_string": "Na6 Er2 Cl12\n1.0\n0.000000 6.729676 -0.017067\n7.240021 0.000000 0.000000\n0.000000 -6.572679 -10.033679\nNa Er Cl\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.710430 0.913272 0.243139 Na\n0.289571 0.413272 0.256861 Na\n0.289571 0.086728 0.756862 Na\n0.710430 0.586728 0.743139 Na\n0.000000 0.000000 0.000000 Er\n-0.000000 0.500000 0.500000 Er\n0.245398 0.806492 0.578280 Cl\n0.754603 0.306492 0.921721 Cl\n0.385196 0.320872 0.568114 Cl\n0.614804 0.820872 0.931886 Cl\n0.614804 0.679128 0.431886 Cl\n0.905054 0.561055 0.259573 Cl\n0.094946 0.438945 0.740427 Cl\n0.905054 0.938945 0.759573 Cl\n0.245398 0.693508 0.078280 Cl\n0.094946 0.061055 0.240427 Cl\n0.385196 0.179128 0.068114 Cl\n0.754603 0.193508 0.421721 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Er",
"Cl"
],
"chemical_system": "Cl-Er-Na",
"density": 3.044797559794393,
"density_atomic": 0.040842744838115,
"volume": 489.68305336167634,
"volume_molar": 14.74470137565303,
"formula_full": "Na6 Er2 Cl12",
"formula_reduced": "Na3ErCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-46265",
"created_at": "2022-09-04T14:38:04.469134Z",
"updated_at": "2022-09-04T14:38:04.469144Z",
"structure_string": "Li4 Mn4 O6\n1.0\n0.000000 5.043523 0.074767\n4.788805 0.000000 0.000000\n0.000000 -2.345959 -5.113239\nLi Mn O\n4 4 6\ndirect\n0.233021 0.679659 0.092756 Li\n0.733021 0.820340 0.092755 Li\n0.266978 0.179659 0.907244 Li\n0.766978 0.320340 0.907244 Li\n0.762208 0.369987 0.388548 Mn\n0.737791 0.869986 0.611451 Mn\n0.262208 0.130013 0.388548 Mn\n0.237791 0.630012 0.611452 Mn\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.563312 0.031763 0.280458 O\n0.936687 0.531763 0.719541 O\n0.063312 0.468236 0.280458 O\n0.436687 0.968236 0.719542 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.650486704281594,
"density_atomic": 0.11413916708237784,
"volume": 122.65728196435636,
"volume_molar": 5.276138694488309,
"formula_full": "Li4 Mn4 O6",
"formula_reduced": "Li2Mn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.569073568965517,
"spacegroup": 14
},
{
"id": "jvasp-32248",
"created_at": "2022-09-04T14:38:04.570215Z",
"updated_at": "2022-09-04T14:38:04.570229Z",
"structure_string": "Al4 Pd2 Cl16\n1.0\n6.502390 0.000000 -0.670967\n0.000000 7.290048 0.000000\n0.067837 0.000000 12.500959\nAl Pd Cl\n4 2 16\ndirect\n0.342730 0.709812 0.101216 Al\n0.657270 0.209812 0.398784 Al\n0.657271 0.290188 0.898784 Al\n0.342730 0.790188 0.601216 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.343693 0.202253 0.428087 Cl\n0.656308 0.702253 0.071913 Cl\n0.250819 0.993188 0.706451 Cl\n0.749182 0.493188 0.793549 Cl\n0.749182 0.006812 0.293549 Cl\n0.250819 0.506813 0.206451 Cl\n0.239413 0.513363 0.652516 Cl\n0.239412 0.986637 0.152516 Cl\n0.760588 0.486637 0.347484 Cl\n0.343693 0.297747 0.928087 Cl\n0.146001 0.772871 0.445225 Cl\n0.853999 0.272871 0.054774 Cl\n0.853999 0.227129 0.554774 Cl\n0.146001 0.727129 0.945225 Cl\n0.760588 0.013363 0.847484 Cl\n0.656308 0.797747 0.571913 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Pd",
"Cl"
],
"chemical_system": "Al-Cl-Pd",
"density": 2.4870191916948574,
"density_atomic": 0.03710503381909159,
"volume": 592.9114660631404,
"volume_molar": 16.229983212955432,
"formula_full": "Al4 Pd2 Cl16",
"formula_reduced": "Al2PdCl8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.5273494400000001,
"spacegroup": 14
},
{
"id": "jvasp-30774",
"created_at": "2022-09-04T14:38:04.765085Z",
"updated_at": "2022-09-04T14:38:04.765106Z",
"structure_string": "Bi4 Sb4 O20\n1.0\n5.303690 0.470494 0.000000\n-1.591083 7.811102 0.000000\n0.000000 0.000000 9.969054\nBi Sb O\n4 4 20\ndirect\n0.159728 0.118214 0.108788 Bi\n0.840273 0.881785 0.891211 Bi\n0.659728 0.618214 0.391212 Bi\n0.340273 0.381785 0.608788 Bi\n0.745085 0.987252 0.590381 Sb\n0.254915 0.012747 0.409619 Sb\n0.754915 0.512747 0.090381 Sb\n0.245085 0.487252 0.909618 Sb\n0.585614 0.630448 0.930896 O\n0.914386 0.869551 0.430897 O\n0.661172 0.061371 0.770776 O\n0.056248 0.661912 0.008148 O\n0.220389 0.004475 0.922586 O\n0.395037 0.303904 0.807209 O\n0.161172 0.561371 0.729224 O\n0.779611 0.995524 0.077414 O\n0.085614 0.130448 0.569103 O\n0.338828 -0.061372 0.229224 O\n0.556248 0.161911 0.491852 O\n0.443753 0.838088 0.508148 O\n-0.104963 0.803904 0.692790 O\n0.838828 0.438628 0.270776 O\n0.720389 0.504475 0.577414 O\n0.604963 0.696096 0.192790 O\n0.943752 0.338088 -0.008148 O\n0.414386 0.369551 0.069103 O\n0.279611 0.495524 0.422586 O\n0.104963 0.196096 0.307209 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-O-Sb",
"density": 6.488605029526071,
"density_atomic": 0.06659414259852518,
"volume": 420.45739921607003,
"volume_molar": 9.043048720223883,
"formula_full": "Bi4 Sb4 O20",
"formula_reduced": "BiSbO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.243595414285714,
"spacegroup": 14
},
{
"id": "jvasp-47311",
"created_at": "2022-09-04T14:38:05.066090Z",
"updated_at": "2022-09-04T14:38:05.066121Z",
"structure_string": "Li2 V2 F12\n1.0\n0.000000 5.041449 0.010466\n5.283481 0.000000 0.000000\n0.000000 -4.999534 -7.345618\nLi V F\n2 2 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 V\n0.000001 0.500000 0.500000 V\n0.128131 0.022160 0.234817 F\n0.768341 0.286425 0.947826 F\n0.343548 0.314862 0.552662 F\n0.656453 0.814862 0.947338 F\n0.231660 0.786425 0.552173 F\n0.871869 0.522160 0.265182 F\n0.128131 0.477840 0.734817 F\n0.768340 0.213575 0.447826 F\n0.343547 0.185138 0.052662 F\n0.656453 0.685138 0.447338 F\n0.231660 0.713575 0.052173 F\n0.871870 0.977840 0.765182 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.9214385024994143,
"density_atomic": 0.08188987059371461,
"volume": 195.38436053198583,
"volume_molar": 7.353950758913794,
"formula_full": "Li2 V2 F12",
"formula_reduced": "LiVF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.240348236875,
"spacegroup": 14
},
{
"id": "jvasp-35170",
"created_at": "2022-09-04T14:38:05.063390Z",
"updated_at": "2022-09-04T14:38:05.063411Z",
"structure_string": "Li4 Ca4 Al4 N8\n1.0\n0.000000 5.775238 -0.007065\n6.862633 0.000000 0.000000\n0.000000 -0.019677 -5.804997\nLi Ca Al N\n4 4 4 8\ndirect\n0.366678 0.598381 0.909159 Li\n0.633321 0.098381 0.590841 Li\n0.633322 0.401619 0.090841 Li\n0.366678 0.901619 0.409159 Li\n0.027995 0.871184 0.741138 Ca\n0.972005 0.371185 0.758862 Ca\n0.972005 0.128815 0.258862 Ca\n0.027995 0.628815 0.241137 Ca\n0.620752 0.859782 0.074650 Al\n0.379248 0.359782 0.425349 Al\n0.379248 0.140217 0.925349 Al\n0.620752 0.640217 0.574651 Al\n0.268569 0.145528 0.605862 N\n0.731430 0.645528 0.894138 N\n0.731431 0.854471 0.394138 N\n0.268570 0.354471 0.105862 N\n0.287574 0.606967 0.566794 N\n0.712425 0.106967 0.933206 N\n0.712425 0.393033 0.433206 N\n0.287575 0.893033 0.066793 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Al",
"N"
],
"chemical_system": "Al-Ca-Li-N",
"density": 2.9451277846767905,
"density_atomic": 0.08692917029300826,
"volume": 230.0723673375335,
"volume_molar": 6.927640905465267,
"formula_full": "Li4 Ca4 Al4 N8",
"formula_reduced": "LiCaAlN2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.356961944,
"spacegroup": 14
},
{
"id": "jvasp-32854",
"created_at": "2022-09-04T14:38:04.989770Z",
"updated_at": "2022-09-04T14:38:04.989796Z",
"structure_string": "Si4 Br16\n1.0\n6.665139 0.000000 0.000000\n0.000000 9.768025 -2.134905\n0.000000 0.056684 10.093287\nSi Br\n4 16\ndirect\n0.074943 0.748101 0.862606 Si\n0.425057 0.748102 0.362606 Si\n0.925057 0.251899 0.137395 Si\n0.574944 0.251898 0.637395 Si\n0.888535 0.191936 0.581341 Br\n0.918509 0.694601 0.037665 Br\n0.111466 0.808065 0.418660 Br\n0.581492 0.694601 0.537665 Br\n0.927767 0.430430 0.308926 Br\n0.918794 0.921624 0.802458 Br\n0.581206 0.921624 0.302458 Br\n0.572233 0.430430 0.808926 Br\n0.081206 0.078376 0.197543 Br\n0.081491 0.305399 0.962336 Br\n0.611466 0.191936 0.081341 Br\n0.072233 0.569570 0.691075 Br\n0.418509 0.305399 0.462336 Br\n0.418794 0.078376 0.697543 Br\n0.388534 0.808064 0.918660 Br\n0.427767 0.569570 0.191075 Br\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Si",
"Br"
],
"chemical_system": "Br-Si",
"density": 3.5102198223408596,
"density_atomic": 0.030398255221769317,
"volume": 657.9324982335585,
"volume_molar": 19.810810574704707,
"formula_full": "Si4 Br16",
"formula_reduced": "SiBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.441893004,
"spacegroup": 14
}
]
}