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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3640",
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"results": [
{
"id": "jvasp-98206",
"created_at": "2022-09-04T14:35:46.264361Z",
"updated_at": "2022-09-04T14:35:46.264387Z",
"structure_string": "Ca4 Mn2 Al2 O10\n1.0\n5.042428 0.000000 -1.655469\n-0.597441 5.254425 -1.819758\n-0.083073 -0.127085 8.254118\nCa Mn Al O\n4 2 2 10\ndirect\n0.618398 0.079671 0.219831 Ca\n0.898567 0.359841 0.780172 Ca\n0.398567 0.920329 0.780169 Ca\n0.118394 0.640159 0.219828 Ca\n0.997975 -0.000000 -0.000000 Mn\n0.497973 0.500000 -0.000000 Mn\n0.788715 0.675946 0.499998 Al\n0.288717 0.324054 0.500002 Al\n0.735718 0.731709 0.971866 O\n0.623024 0.393424 0.500003 O\n0.235718 0.740154 0.971867 O\n0.820101 0.924759 0.706344 O\n0.113757 0.075241 0.293656 O\n0.320111 0.281600 0.706357 O\n0.613753 0.718400 0.293643 O\n0.123021 0.606576 0.499997 O\n0.263851 0.259846 0.028133 O\n0.763851 0.268291 0.028134 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.710291689594944,
"density_atomic": 0.083072228344691,
"volume": 216.67891133620168,
"volume_molar": 7.249282798834256,
"formula_full": "Ca4 Mn2 Al2 O10",
"formula_reduced": "Ca2MnAlO5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 46
},
{
"id": "jvasp-87136",
"created_at": "2022-09-04T14:36:08.203164Z",
"updated_at": "2022-09-04T14:36:08.203189Z",
"structure_string": "Mg4 Si8 O20\n1.0\n5.364399 0.000000 0.018543\n0.000000 6.970396 0.000000\n-0.029446 0.000000 7.682819\nMg Si O\n4 8 20\ndirect\n0.000090 0.847549 0.655915 Mg\n0.999909 0.347549 0.844085 Mg\n0.999909 0.152451 0.344085 Mg\n0.000091 0.652452 0.155914 Mg\n0.754986 0.000090 0.000023 Si\n0.245014 0.999910 0.999976 Si\n0.754986 0.499910 0.500023 Si\n0.245014 0.500091 0.499976 Si\n0.499924 0.114630 0.647221 Si\n0.499924 0.385370 0.147221 Si\n0.500076 0.885370 0.352778 Si\n0.500075 0.614630 0.852778 Si\n0.287483 0.000229 0.499632 O\n0.499857 0.153215 0.078802 O\n0.500143 0.653215 0.421198 O\n0.000139 0.152834 0.067936 O\n0.999861 0.652834 0.432064 O\n0.999860 0.847167 0.932064 O\n0.000139 0.347166 0.567936 O\n0.712516 0.500230 0.000368 O\n0.287483 0.499771 0.999632 O\n0.738513 0.619126 0.702458 O\n0.261893 0.880198 0.202115 O\n0.738107 0.380198 0.297884 O\n0.738107 0.119802 0.797885 O\n0.261892 0.619802 0.702115 O\n0.499857 0.346786 0.578802 O\n0.261486 0.119125 0.797542 O\n0.261487 0.380875 0.297542 O\n0.738513 0.880875 0.202458 O\n0.712516 0.999771 0.500368 O\n0.500142 0.846786 0.921198 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.7102756863074107,
"density_atomic": 0.11138971639625542,
"volume": 287.2796613123951,
"volume_molar": 5.406370493463655,
"formula_full": "Mg4 Si8 O20",
"formula_reduced": "MgSi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.18679171875,
"spacegroup": 55
},
{
"id": "jvasp-98205",
"created_at": "2022-09-04T14:35:44.722011Z",
"updated_at": "2022-09-04T14:35:44.722031Z",
"structure_string": "V4 Co2 P4 O20\n1.0\n6.347897 0.000000 0.000362\n0.000000 7.263762 0.000000\n0.056077 0.000000 7.430300\nV Co P O\n4 2 4 20\ndirect\n0.253923 0.776705 0.666915 V\n0.253923 0.723295 0.166915 V\n0.746078 0.223294 0.333084 V\n0.746079 0.276705 0.833085 V\n0.000000 0.000000 0.000000 Co\n1.000000 0.500000 0.500000 Co\n0.253023 0.123422 0.373599 P\n0.746978 0.623422 0.126400 P\n0.746978 0.876577 0.626400 P\n0.253024 0.376578 0.873600 P\n0.228579 0.505058 0.707187 O\n0.256584 0.490612 0.047119 O\n0.771422 0.494941 0.292813 O\n0.228579 0.994942 0.207187 O\n0.743417 0.990611 0.452881 O\n0.940452 0.745584 0.624907 O\n0.224726 0.846176 0.882196 O\n0.224724 0.653823 0.382197 O\n0.775277 0.153824 0.117803 O\n0.743417 0.509389 0.952882 O\n0.256585 0.009388 0.547118 O\n0.448200 0.252985 0.857164 O\n0.551802 0.752985 0.642835 O\n0.551800 0.747014 0.142835 O\n0.448200 0.247015 0.357165 O\n0.940451 0.754417 0.124906 O\n0.059550 0.254416 0.375094 O\n0.059550 0.245584 0.875093 O\n0.775276 0.346176 0.617802 O\n0.771422 0.005058 0.792812 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"V",
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P-V",
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"density_atomic": 0.08756360143567592,
"volume": 342.60811008370814,
"volume_molar": 6.8774475481388855,
"formula_full": "V4 Co2 P4 O20",
"formula_reduced": "V2Co(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 3.336057686666668,
"spacegroup": 14
},
{
"id": "jvasp-20501",
"created_at": "2022-09-04T14:37:34.996116Z",
"updated_at": "2022-09-04T14:37:34.996147Z",
"structure_string": "La2 Mg4\n1.0\n5.362280 -0.000000 3.095914\n1.787427 5.055606 3.095914\n-0.000000 -0.000000 6.191828\nLa Mg\n2 4\ndirect\n0.125000 0.125000 0.125000 La\n0.875000 0.875001 0.874999 La\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.499999 Mg\n0.500000 0.500000 -0.000001 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Mg"
],
"chemical_system": "La-Mg",
"density": 3.710005931158865,
"density_atomic": 0.03574453555047143,
"volume": 167.85782519199262,
"volume_molar": 16.847724182894225,
"formula_full": "La2 Mg4",
"formula_reduced": "LaMg2",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-41707",
"created_at": "2022-09-04T14:37:43.737526Z",
"updated_at": "2022-09-04T14:37:43.737557Z",
"structure_string": "Li2 Pr1 Al1\n1.0\n-0.000002 3.439195 3.439193\n3.439197 -0.000007 3.439198\n3.439199 3.439201 -0.000008\nLi Pr Al\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500000 0.500001 Li\n0.750000 0.750001 0.750002 Pr\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pr",
"Al"
],
"chemical_system": "Al-Li-Pr",
"density": 3.7099824273639377,
"density_atomic": 0.04916518745244765,
"volume": 81.35837992825273,
"volume_molar": 12.248790398337416,
"formula_full": "Li2 Pr1 Al1",
"formula_reduced": "Li2PrAl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1361806625000002,
"spacegroup": 225
},
{
"id": "jvasp-58316",
"created_at": "2022-09-04T14:37:36.403122Z",
"updated_at": "2022-09-04T14:37:36.403143Z",
"structure_string": "Mg2 Si2 O6\n1.0\n4.271155 0.003389 3.169123\n1.596650 3.961501 3.169123\n0.005016 0.003389 5.318466\nMg Si O\n2 2 6\ndirect\n0.359811 0.359811 0.359810 Mg\n0.640190 0.640190 0.640188 Mg\n0.157246 0.157246 0.157246 Si\n0.842756 0.842754 0.842753 Si\n0.045703 0.794777 0.437874 O\n0.794778 0.437875 0.045701 O\n0.437876 0.045702 0.794777 O\n0.954299 0.205223 0.562124 O\n0.562126 0.954298 0.205221 O\n0.205224 0.562126 0.954297 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.709829835375607,
"density_atomic": 0.11127306894102695,
"volume": 89.86900509861779,
"volume_molar": 5.412037986650341,
"formula_full": "Mg2 Si2 O6",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.44153163,
"spacegroup": 148
},
{
"id": "jvasp-74464",
"created_at": "2022-09-04T14:36:20.755058Z",
"updated_at": "2022-09-04T14:36:20.755072Z",
"structure_string": "Mg1 Be1 Br2\n1.0\n4.926720 -0.000000 0.000000\n0.000000 4.926720 -0.000000\n-0.000000 -0.000000 3.561439\nMg Be Br\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Br"
],
"chemical_system": "Be-Br-Mg",
"density": 3.7097678386318895,
"density_atomic": 0.04627204777237738,
"volume": 86.44527728007415,
"volume_molar": 13.014640695445912,
"formula_full": "Mg1 Be1 Br2",
"formula_reduced": "MgBeBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2162508399999999,
"spacegroup": 123
},
{
"id": "jvasp-98245",
"created_at": "2022-09-04T14:36:11.670833Z",
"updated_at": "2022-09-04T14:36:11.670850Z",
"structure_string": "Sb4 S4 Br12 F24\n1.0\n7.852883 0.000000 -1.134879\n0.000000 9.421543 0.000000\n-0.163337 0.000000 12.305734\nSb S Br F\n4 4 12 24\ndirect\n0.198966 0.270113 0.569104 Sb\n0.198966 0.229887 0.069104 Sb\n0.801033 0.770113 0.930895 Sb\n0.801033 0.729887 0.430896 Sb\n0.200331 0.805586 0.207992 S\n0.200331 0.694413 0.707991 S\n0.799668 0.194413 0.792008 S\n0.799668 0.305586 0.292008 S\n0.425827 0.687327 0.622703 Br\n0.726672 0.060176 0.645205 Br\n0.795352 0.088505 0.228410 Br\n0.795352 0.411495 0.728410 Br\n0.574172 0.312673 0.377296 Br\n0.204647 0.911495 0.771590 Br\n0.273327 0.939824 0.354795 Br\n0.204647 0.588505 0.271590 Br\n0.574172 0.187327 0.877296 Br\n0.726673 0.439824 0.145205 Br\n0.425828 0.812673 0.122703 Br\n0.273327 0.560176 0.854794 Br\n0.135589 0.295055 0.205338 F\n-0.016508 0.206180 0.491365 F\n0.105459 0.046963 0.094198 F\n0.016507 0.793820 0.508635 F\n-0.016508 0.293820 0.991365 F\n0.864411 0.704945 0.794661 F\n0.701412 0.911849 0.455488 F\n0.582660 0.669310 0.356874 F\n0.258559 0.161450 0.932095 F\n0.864411 0.795055 0.294661 F\n0.417339 0.330690 0.643126 F\n0.417339 0.169310 0.143126 F\n0.701412 0.588151 0.955488 F\n0.741440 0.661450 0.567904 F\n0.582660 0.830690 0.856873 F\n0.298588 0.411849 0.044512 F\n0.298588 0.088151 0.544512 F\n0.016507 0.706180 0.008635 F\n0.741440 0.838549 0.067904 F\n0.894541 0.546963 0.405802 F\n0.105459 0.453037 0.594198 F\n0.894540 0.953037 0.905802 F\n0.258559 0.338549 0.432095 F\n0.135588 0.204945 0.705338 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"S",
"Br",
"F"
],
"chemical_system": "Br-F-S-Sb",
"density": 3.709742664030701,
"density_atomic": 0.04842034309006605,
"volume": 908.7089680086772,
"volume_molar": 12.437212080051344,
"formula_full": "Sb4 S4 Br12 F24",
"formula_reduced": "SbS(BrF2)3",
"formula_anonymous": "ABC3D6",
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"spacegroup": 14
},
{
"id": "jvasp-99319",
"created_at": "2022-09-04T14:36:33.179711Z",
"updated_at": "2022-09-04T14:36:33.179727Z",
"structure_string": "Ba4 Mg4 P8 O28\n1.0\n5.524589 0.000000 -0.134991\n0.000000 8.610378 0.000000\n-0.019593 0.000000 12.631414\nBa Mg P O\n4 4 8 28\ndirect\n0.739785 0.367786 0.793017 Ba\n0.239785 0.132214 0.293017 Ba\n0.760216 0.867786 0.706983 Ba\n0.260216 0.632214 0.206983 Ba\n0.208568 0.660250 0.876430 Mg\n0.791433 0.339750 0.123570 Mg\n0.708568 0.839750 0.376430 Mg\n0.291433 0.160250 0.623570 Mg\n0.714010 0.685384 0.015414 P\n0.265549 0.556962 0.664332 P\n0.285991 0.314616 0.984586 P\n0.765548 0.943039 0.164332 P\n0.734452 0.443039 0.335667 P\n0.234452 0.056961 0.835667 P\n0.214010 0.814616 0.515414 P\n0.785991 0.185384 0.484586 P\n0.556017 0.368375 0.253828 O\n0.705741 0.079965 0.392430 O\n0.794260 0.579965 0.107570 O\n0.294260 0.920035 0.607570 O\n0.205741 0.420035 0.892430 O\n0.943984 0.868376 0.246172 O\n0.509619 0.908969 0.201520 O\n0.800100 0.860184 0.050539 O\n0.990382 0.408969 0.298480 O\n0.490382 0.091031 0.798480 O\n0.009619 0.591031 0.701519 O\n0.061851 0.185256 0.498582 O\n0.438150 0.685256 0.001417 O\n0.938150 0.814744 0.501417 O\n0.561851 0.314744 0.998582 O\n0.828332 0.112413 0.149535 O\n0.443984 0.631625 0.746172 O\n0.671669 0.612413 0.350465 O\n0.328332 0.387587 0.649535 O\n0.654043 0.155730 0.587165 O\n0.845958 0.655731 0.912835 O\n0.345958 0.844270 0.412835 O\n0.154042 0.344270 0.087165 O\n0.300100 0.639817 0.550539 O\n0.199901 0.139817 0.949461 O\n0.699901 0.360184 0.449461 O\n0.171669 0.887587 0.850464 O\n0.056017 0.131625 0.753828 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"Mg",
"P",
"O"
],
"chemical_system": "Ba-Mg-O-P",
"density": 3.7097223457260537,
"density_atomic": 0.07323100184094607,
"volume": 600.8384276315885,
"volume_molar": 8.223485420942044,
"formula_full": "Ba4 Mg4 P8 O28",
"formula_reduced": "BaMgP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.1343318654545453,
"spacegroup": 14
},
{
"id": "jvasp-9847",
"created_at": "2022-09-04T14:38:10.037599Z",
"updated_at": "2022-09-04T14:38:10.037633Z",
"structure_string": "Ca4 V4 O8\n1.0\n3.068166 0.006099 0.001879\n1.526574 8.624438 -0.435374\n1.529160 0.068035 8.325349\nCa V O\n4 4 8\ndirect\n0.383302 0.311355 0.923205 Ca\n0.592639 0.716842 0.096879 Ca\n0.837042 0.089758 0.238723 Ca\n0.138903 0.938441 0.781363 Ca\n0.831872 0.600767 0.735109 V\n0.587858 0.248565 0.577608 V\n0.388147 0.779641 0.442478 V\n0.144044 0.427440 0.284970 V\n0.547204 0.570395 0.334877 O\n0.790489 0.801853 0.615398 O\n0.185468 0.226351 0.404687 O\n0.428719 0.457807 0.685211 O\n0.210693 0.688878 0.888892 O\n0.036517 0.194770 0.734446 O\n0.765237 0.339323 0.131190 O\n0.939469 0.833429 0.285637 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 3.7093415573450796,
"density_atomic": 0.07263367155283165,
"volume": 220.28350843261526,
"volume_molar": 8.2911143430491,
"formula_full": "Ca4 V4 O8",
"formula_reduced": "CaVO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.611625405,
"spacegroup": 12
},
{
"id": "jvasp-44509",
"created_at": "2022-09-04T14:38:35.350693Z",
"updated_at": "2022-09-04T14:38:35.350710Z",
"structure_string": "Li4 Fe2 Sn2 P4 O16\n1.0\n0.000000 4.818152 0.405264\n5.887774 0.000000 0.000000\n0.000000 -1.038612 -12.029908\nLi Fe Sn P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n-0.052799 0.750000 0.313138 Fe\n0.052799 0.250000 0.686862 Fe\n0.440885 0.250000 0.216355 Sn\n0.559115 0.750000 0.783646 Sn\n0.406533 0.250000 0.898551 P\n0.942417 0.750000 0.579987 P\n0.057583 0.250000 0.420014 P\n0.593467 0.750000 0.101450 P\n0.272856 0.042732 0.823942 O\n0.272856 0.457267 0.823942 O\n0.833613 0.534863 0.635545 O\n0.833613 0.965136 0.635545 O\n0.263852 0.750000 0.589842 O\n0.225998 0.250000 0.542492 O\n0.774002 0.750000 0.457509 O\n0.274315 0.750000 0.082417 O\n0.166387 0.034863 0.364455 O\n0.166387 0.465137 0.364455 O\n0.727144 0.542732 0.176058 O\n0.727144 0.957267 0.176058 O\n0.725685 0.250000 0.917584 O\n0.284684 0.250000 0.008803 O\n0.736148 0.250000 0.410158 O\n0.715316 0.750000 0.991197 O\n",
"nsites": 28,
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"elements": [
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"Fe",
"Sn",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P-Sn",
"density": 3.709183444604276,
"density_atomic": 0.08264743790051243,
"volume": 338.78848166721446,
"volume_molar": 7.286542587380875,
"formula_full": "Li4 Fe2 Sn2 P4 O16",
"formula_reduced": "Li2FeSn(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.542351871428571,
"spacegroup": 11
},
{
"id": "jvasp-8765",
"created_at": "2022-09-04T14:36:39.070094Z",
"updated_at": "2022-09-04T14:36:39.070118Z",
"structure_string": "Rb3 Sb1\n1.0\n6.209601 0.000000 0.000000\n3.104800 5.377671 0.000000\n3.104800 1.792557 5.070117\nRb Sb\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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"Sb"
],
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"density": 3.7089645779490703,
"density_atomic": 0.02362566739137855,
"volume": 169.30738648507662,
"volume_molar": 25.489822828021328,
"formula_full": "Rb3 Sb1",
"formula_reduced": "Rb3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}