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=267",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=265",
"results": [
{
"id": "jvasp-36567",
"created_at": "2022-09-04T14:37:28.287608Z",
"updated_at": "2022-09-04T14:37:28.287621Z",
"structure_string": "Cr4 N8\n1.0\n0.000000 4.652210 -0.014796\n4.570515 0.000000 0.000000\n0.000000 -3.622577 -7.339661\nCr N\n4 8\ndirect\n0.010568 0.488966 0.489594 Cr\n0.010568 0.511033 0.989594 Cr\n0.307311 0.122638 0.869196 Cr\n0.307311 0.877361 0.369196 Cr\n0.302814 0.255478 0.077063 N\n0.302814 0.744521 0.577063 N\n0.656855 0.266940 0.893986 N\n0.656855 0.733059 0.393986 N\n0.146905 0.226180 0.388982 N\n0.146904 0.773819 0.888982 N\n0.022914 0.294903 0.676369 N\n0.022915 0.705096 0.176369 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 3.3999223740046087,
"density_atomic": 0.07677142507978968,
"volume": 156.30815746260046,
"volume_molar": 7.844247718133536,
"formula_full": "Cr4 N8",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.552011299999998,
"spacegroup": 7
},
{
"id": "jvasp-10213",
"created_at": "2022-09-04T14:37:28.209679Z",
"updated_at": "2022-09-04T14:37:28.209703Z",
"structure_string": "Li4 Zn2 Ge2 O8\n1.0\n0.000000 5.077980 -0.000247\n5.467342 0.000000 0.000000\n0.000000 -5.054450 -6.359957\nLi Zn Ge O\n4 2 2 8\ndirect\n0.501306 0.835889 0.000301 Li\n0.752180 0.671798 0.751484 Li\n0.752180 0.328201 0.251484 Li\n0.501306 0.164111 0.500301 Li\n0.247906 0.664202 0.248166 Zn\n0.247906 0.335798 0.748166 Zn\n0.996302 0.833123 0.500264 Ge\n0.996301 0.166876 0.000263 Ge\n0.645129 0.173173 0.001475 O\n0.876044 0.676064 0.269015 O\n0.645129 0.826827 0.501475 O\n0.876044 0.323936 0.769015 O\n0.110777 0.141363 0.498745 O\n0.110777 0.858636 -0.001255 O\n0.344360 0.680769 0.731555 O\n0.344360 0.319231 0.231555 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Zn",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Zn",
"density": 4.061169045550314,
"density_atomic": 0.0906111803657714,
"volume": 176.5786510606371,
"volume_molar": 6.646134324362999,
"formula_full": "Li4 Zn2 Ge2 O8",
"formula_reduced": "Li2ZnGeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.2389050437499998,
"spacegroup": 7
},
{
"id": "jvasp-42284",
"created_at": "2022-09-04T14:37:28.365366Z",
"updated_at": "2022-09-04T14:37:28.365386Z",
"structure_string": "Fe8 O14 F2\n1.0\n0.000000 5.207752 0.044892\n4.372075 0.000000 0.000000\n0.000000 -1.020160 -9.575327\nFe O F\n8 14 2\ndirect\n0.236894 0.748660 0.250834 Fe\n0.764993 0.772663 0.755270 Fe\n0.495780 0.763193 0.990813 Fe\n0.001422 0.747447 0.503272 Fe\n0.236894 0.251341 0.750835 Fe\n0.495780 0.236808 0.490813 Fe\n0.764993 0.227338 0.255269 Fe\n0.001422 0.252554 0.003272 Fe\n0.773290 0.435530 0.422638 O\n0.272363 0.447843 0.924516 O\n0.023809 0.437309 0.176787 O\n0.023809 0.562692 0.676787 O\n0.272363 0.552158 0.424516 O\n0.773290 0.564471 0.922639 O\n0.978034 0.934562 0.327509 O\n0.978034 0.065439 0.827510 O\n0.726662 0.943426 0.575642 O\n0.472688 0.951765 0.822629 O\n0.726662 0.056575 0.075642 O\n0.472687 0.048236 0.322629 O\n0.226107 0.059756 0.575621 O\n0.226107 0.940245 0.075620 O\n0.527958 0.550282 0.174471 F\n0.527958 0.449719 0.674471 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.403171115338142,
"density_atomic": 0.11018405987011352,
"volume": 217.81735060671687,
"volume_molar": 5.465528105516334,
"formula_full": "Fe8 O14 F2",
"formula_reduced": "Fe4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.971416398541667,
"spacegroup": 7
},
{
"id": "jvasp-29802",
"created_at": "2022-09-04T14:37:29.104518Z",
"updated_at": "2022-09-04T14:37:29.104533Z",
"structure_string": "Te2 H4 O8\n1.0\n5.237916 0.000000 -2.500352\n0.000000 4.922497 0.000000\n0.212132 0.000000 5.272531\nTe H O\n2 4 8\ndirect\n0.998506 0.500566 0.523362 Te\n0.998506 0.999435 0.023362 Te\n0.388988 0.297735 0.515953 H\n0.604894 0.761900 0.742103 H\n0.604894 0.738101 0.242104 H\n0.388988 0.202265 0.015954 H\n0.338696 0.357892 0.667404 O\n0.661820 0.857014 0.923032 O\n0.661820 0.642986 0.423032 O\n0.338696 0.142108 0.167404 O\n0.880468 0.188339 0.670839 O\n0.114704 0.683367 0.879567 O\n0.114704 0.816634 0.379567 O\n0.880468 0.311662 0.170839 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 4.640766503888942,
"density_atomic": 0.10104226416083845,
"volume": 138.5558817022834,
"volume_molar": 5.960021590978993,
"formula_full": "Te2 H4 O8",
"formula_reduced": "Te(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.424578823809523,
"spacegroup": 7
},
{
"id": "jvasp-42413",
"created_at": "2022-09-04T14:37:29.189944Z",
"updated_at": "2022-09-04T14:37:29.189962Z",
"structure_string": "Mn8 O14 F2\n1.0\n0.000000 4.335370 -0.021500\n10.826933 0.000000 0.000000\n0.000000 0.006053 -4.855483\nMn O F\n8 14 2\ndirect\n0.016947 0.666674 0.248155 Mn\n0.016947 0.333326 0.748155 Mn\n0.004957 0.817584 0.767048 Mn\n0.004958 0.182416 0.267048 Mn\n0.481943 0.065422 0.739672 Mn\n0.508928 0.427822 0.247447 Mn\n0.508927 0.572178 0.747447 Mn\n0.481943 0.934577 0.239673 Mn\n0.769534 0.689554 0.921242 O\n0.769534 0.310446 0.421242 O\n0.725135 0.058160 0.418495 O\n0.725135 0.941840 0.918494 O\n0.741240 0.557248 0.417580 O\n0.741240 0.442752 0.917580 O\n0.252051 0.058724 0.078135 O\n0.230817 0.192746 0.583991 O\n0.277293 0.555907 0.077209 O\n0.277293 0.444093 0.577208 O\n0.230817 0.807253 0.083992 O\n0.237688 0.690973 0.580718 O\n0.237689 0.309027 0.080718 O\n0.252051 0.941275 0.578135 O\n0.753465 0.808979 0.420302 F\n0.753464 0.191021 0.920302 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.111059352661152,
"density_atomic": 0.1053052131318229,
"volume": 227.9089447353037,
"volume_molar": 5.718748940246082,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.26651531233477,
"spacegroup": 7
},
{
"id": "jvasp-47712",
"created_at": "2022-09-04T14:37:29.298432Z",
"updated_at": "2022-09-04T14:37:29.298456Z",
"structure_string": "Al6 Cr2 O12\n1.0\n0.000000 5.222227 -0.002195\n4.858534 0.000000 0.000000\n0.000000 -0.707719 -7.108771\nAl Cr O\n6 2 12\ndirect\n0.294587 0.998216 0.853031 Al\n0.800038 0.497931 0.850134 Al\n0.205058 0.497655 0.646483 Al\n0.294587 0.001783 0.353031 Al\n0.800039 0.502068 0.350134 Al\n0.205058 0.502344 0.146483 Al\n0.699951 0.998015 0.649800 Cr\n0.699951 0.001984 0.149800 Cr\n0.153502 0.343726 0.402970 O\n0.851929 0.361284 0.095693 O\n0.646556 0.163686 0.398291 O\n0.499596 0.690316 0.253601 O\n0.009515 0.199046 0.755120 O\n0.851929 0.638715 0.595693 O\n0.339270 0.846116 0.594878 O\n0.153502 0.656273 0.902970 O\n0.009515 0.800953 0.255120 O\n0.646556 0.836313 0.898291 O\n0.499596 0.309683 0.753601 O\n0.339270 0.153883 0.094878 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Cr-O",
"density": 4.2152332494921705,
"density_atomic": 0.1108807887473459,
"volume": 180.37389728145067,
"volume_molar": 5.431184994293385,
"formula_full": "Al6 Cr2 O12",
"formula_reduced": "Al3CrO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.61332068,
"spacegroup": 7
},
{
"id": "jvasp-11053",
"created_at": "2022-09-04T14:37:33.923078Z",
"updated_at": "2022-09-04T14:37:33.923101Z",
"structure_string": "Ca2 Ni2 W2 O12\n1.0\n0.000000 5.233687 0.004043\n5.312172 0.000000 0.000000\n0.000000 -5.213652 -7.457449\nCa Ni W O\n2 2 2 12\ndirect\n0.762174 0.700651 0.251101 Ca\n0.762174 0.299348 0.751102 Ca\n0.001790 0.747849 0.999806 Ni\n0.001789 0.252151 0.499806 Ni\n0.502082 0.235642 0.000568 W\n0.502082 0.764358 0.500568 W\n0.166096 0.962828 0.461826 O\n0.832202 0.457960 0.036933 O\n0.251603 0.460083 0.461175 O\n0.752044 0.953583 0.040358 O\n0.752045 0.046416 0.540358 O\n0.322862 0.759631 0.248192 O\n0.674757 0.258766 0.252811 O\n0.166096 0.037172 0.961826 O\n0.322862 0.240368 0.748192 O\n0.674757 0.741234 0.752811 O\n0.251603 0.539917 0.961175 O\n0.832203 0.542040 0.536933 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Ni",
"W",
"O"
],
"chemical_system": "Ca-Ni-O-W",
"density": 6.067825672622076,
"density_atomic": 0.08686342512824549,
"volume": 207.22185400155163,
"volume_molar": 6.932884296363963,
"formula_full": "Ca2 Ni2 W2 O12",
"formula_reduced": "CaNiWO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.8073204244444443,
"spacegroup": 7
},
{
"id": "jvasp-5257",
"created_at": "2022-09-04T14:37:39.983340Z",
"updated_at": "2022-09-04T14:37:39.983368Z",
"structure_string": "Ga2 Se2 Br14\n1.0\n0.000000 6.553683 -0.139394\n6.507554 0.000000 0.000000\n0.000000 -3.187617 -14.112550\nGa Se Br\n2 2 14\ndirect\n0.333988 -0.004972 0.499093 Ga\n0.333988 0.004972 0.999093 Ga\n0.052081 0.581140 0.337534 Se\n0.052081 0.418859 0.837534 Se\n0.778305 0.628602 0.870560 Br\n0.778306 0.371398 0.370560 Br\n0.366667 0.353435 0.512125 Br\n0.366667 0.646565 0.012125 Br\n0.559614 0.840182 0.628444 Br\n0.559614 0.159817 0.128444 Br\n0.423529 0.125100 0.857239 Br\n0.850275 0.812126 0.226863 Br\n-0.007188 0.877531 0.498920 Br\n-0.007188 0.122469 -0.001080 Br\n0.195474 0.371928 0.232350 Br\n0.195474 0.628071 0.732350 Br\n0.423530 0.874899 0.357239 Br\n0.850275 0.187874 0.726863 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ga",
"Se",
"Br"
],
"chemical_system": "Br-Ga-Se",
"density": 3.8880242058304626,
"density_atomic": 0.029763388066711884,
"volume": 604.7698588498952,
"volume_molar": 20.23338454110778,
"formula_full": "Ga2 Se2 Br14",
"formula_reduced": "GaSeBr7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0,
"spacegroup": 7
},
{
"id": "jvasp-30103",
"created_at": "2022-09-04T14:37:53.867080Z",
"updated_at": "2022-09-04T14:37:53.867100Z",
"structure_string": "Mo4 O12\n1.0\n4.951593 0.000000 0.000000\n0.000000 5.282932 1.005925\n0.000000 1.625350 8.306593\nMo O\n4 12\ndirect\n0.019087 0.959156 0.968540 Mo\n0.480913 0.459156 0.968540 Mo\n0.519294 0.704624 0.470863 Mo\n0.980705 0.204625 0.470863 Mo\n0.284003 0.028889 0.447688 O\n0.247441 0.679866 0.068202 O\n0.366228 0.582467 0.764247 O\n0.133772 0.082467 0.764247 O\n0.252558 0.179866 0.068202 O\n0.215997 0.528889 0.447688 O\n0.724866 0.408478 0.573928 O\n0.661354 0.822186 0.273808 O\n0.731855 0.763132 0.953527 O\n0.768144 0.263133 0.953527 O\n0.838645 0.322186 0.273808 O\n0.775133 0.908478 0.573928 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.570167859231866,
"density_atomic": 0.07648336342856377,
"volume": 209.19582093096835,
"volume_molar": 7.873791750312786,
"formula_full": "Mo4 O12",
"formula_reduced": "MoO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7905741,
"spacegroup": 7
},
{
"id": "jvasp-43681",
"created_at": "2022-09-04T14:37:56.610511Z",
"updated_at": "2022-09-04T14:37:56.610547Z",
"structure_string": "Li2 V4 O2 F10\n1.0\n0.000000 5.429698 0.012592\n4.997218 0.000000 0.000000\n0.000000 -0.720494 -7.479946\nLi V O F\n2 4 2 10\ndirect\n0.087844 0.518079 0.213562 Li\n0.087844 0.481921 0.713562 Li\n0.006690 0.981697 0.490729 V\n0.489788 0.484450 0.997199 V\n0.489788 0.515550 0.497199 V\n0.006691 0.018303 0.990730 V\n0.200703 0.699596 0.447862 O\n0.200704 0.300404 0.947863 O\n0.296112 0.207113 0.580817 F\n0.820946 0.320469 0.568292 F\n0.494045 0.366628 0.253467 F\n0.494045 0.633373 0.753468 F\n-0.004704 0.845990 0.746858 F\n0.296111 0.792888 0.080817 F\n0.688608 0.817608 0.421820 F\n0.688609 0.182392 0.921820 F\n0.820945 0.679532 0.068291 F\n-0.004704 0.154010 0.246858 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.5977570432687993,
"density_atomic": 0.08870888021839264,
"volume": 202.91091439420438,
"volume_molar": 6.788656045678938,
"formula_full": "Li2 V4 O2 F10",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1326981458333332,
"spacegroup": 7
},
{
"id": "jvasp-29727",
"created_at": "2022-09-04T14:37:56.881482Z",
"updated_at": "2022-09-04T14:37:56.881507Z",
"structure_string": "Fe2 P2 H10 C2 O8\n1.0\n4.648983 -0.029304 -0.000177\n-0.034807 5.481228 0.000302\n-0.000540 0.000805 8.379631\nFe P H C O\n2 2 10 2 8\ndirect\n0.749477 0.506896 0.012013 Fe\n0.249478 0.006899 0.987996 Fe\n0.667586 0.005285 0.193083 P\n0.167487 0.505359 0.806922 P\n0.182522 0.622026 0.183939 H\n0.157785 0.663812 0.539475 H\n0.659170 0.162704 0.460835 H\n0.336350 -0.003533 0.410457 H\n0.600831 0.841658 0.795843 H\n0.161948 0.337311 0.543327 H\n0.682482 0.122008 0.816052 H\n0.836138 0.495802 0.589592 H\n0.101060 0.341632 0.204099 H\n0.661091 0.836179 0.456350 H\n0.571932 0.000086 0.400357 C\n0.071715 0.500480 0.599653 C\n0.518375 0.007322 0.799324 O\n0.521769 0.230831 0.110910 O\n0.018492 0.507256 0.200658 O\n0.021723 0.730852 0.889124 O\n0.018235 0.278023 0.889966 O\n0.494677 0.511599 0.818580 O\n0.994772 0.011525 0.181424 O\n0.518294 0.778011 0.110016 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Fe",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-Fe-H-O-P",
"density": 2.6109615329234273,
"density_atomic": 0.11240041343486915,
"volume": 213.52234628484612,
"volume_molar": 5.357756769720027,
"formula_full": "Fe2 P2 H10 C2 O8",
"formula_reduced": "FePH5CO4",
"formula_anonymous": "ABCD4E5",
"energy_above_hull": 3.47274625,
"spacegroup": 7
},
{
"id": "jvasp-40681",
"created_at": "2022-09-04T14:38:03.136054Z",
"updated_at": "2022-09-04T14:38:03.136071Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 8.400666 -0.050049\n5.143562 0.000000 0.000000\n0.000000 -2.771390 -8.263372\nLi Mn P O\n4 4 4 16\ndirect\n0.109710 0.830560 0.987273 Li\n0.253201 0.320889 0.499424 Li\n0.609711 0.169439 0.987273 Li\n0.753202 0.679111 0.499424 Li\n0.988274 0.669873 0.247771 Mn\n0.337480 0.824780 0.735030 Mn\n0.488274 0.330126 0.247771 Mn\n0.837480 0.175220 0.735030 Mn\n0.864520 0.180018 0.369543 P\n0.728642 0.681520 0.864937 P\n0.364520 0.819982 0.369543 P\n0.228642 0.318480 0.864937 P\n0.817738 0.307429 0.511981 O\n0.715505 0.233498 0.214841 O\n0.761603 0.793060 0.711218 O\n0.695520 0.385132 0.844191 O\n0.524163 0.690485 0.351127 O\n0.386685 0.259424 0.009492 O\n0.394498 0.115532 0.400127 O\n0.024163 0.309515 0.351127 O\n0.317738 0.692571 0.511981 O\n0.215505 0.766502 0.214841 O\n0.261603 0.206940 0.711218 O\n0.195520 0.614867 0.844191 O\n0.894498 0.884468 0.400127 O\n0.076262 0.178535 0.891842 O\n0.576262 0.821464 0.891842 O\n0.886685 0.740576 0.009492 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9120097832666625,
"density_atomic": 0.07826293348905641,
"volume": 357.76834258219145,
"volume_molar": 7.69475470893521,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.545633820197044,
"spacegroup": 7
}
]
}