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=6",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=4",
"results": [
{
"id": "jvasp-85501",
"created_at": "2022-09-04T14:35:55.249260Z",
"updated_at": "2022-09-04T14:35:55.249287Z",
"structure_string": "Mo2 H4 O8\n1.0\n7.940088 -0.036492 0.862087\n-3.010875 5.135868 -1.716958\n0.327279 0.093862 3.730382\nMo H O\n2 4 8\ndirect\n0.800882 0.918067 0.766214 Mo\n0.236160 0.126152 0.152516 Mo\n0.069673 0.657178 0.227772 H\n0.832061 0.447956 0.702855 H\n0.726432 0.422239 0.359005 H\n0.221424 0.529596 0.634686 H\n0.554152 0.741189 0.784286 O\n0.483428 0.258532 0.108302 O\n0.152308 0.080791 0.697134 O\n0.870922 0.905661 0.222030 O\n0.845036 0.233941 0.875819 O\n0.173760 0.774071 0.075968 O\n0.825286 0.548924 0.546396 O\n0.210381 0.422112 0.375488 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mo",
"H",
"O"
],
"chemical_system": "H-Mo-O",
"density": 3.5544618637919387,
"density_atomic": 0.09251933810896187,
"volume": 151.3197163549951,
"volume_molar": 6.509061654664676,
"formula_full": "Mo2 H4 O8",
"formula_reduced": "Mo(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.1604857,
"spacegroup": 1
},
{
"id": "jvasp-48425",
"created_at": "2022-09-04T14:35:55.818028Z",
"updated_at": "2022-09-04T14:35:55.818051Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.712739 0.009248 -0.004433\n0.155331 5.654161 -0.012675\n0.320910 0.371333 7.855314\nMn O F\n6 4 8\ndirect\n0.492177 0.499455 0.007904 Mn\n0.565332 0.824695 0.658150 Mn\n0.489911 0.169482 0.336495 Mn\n0.964038 0.331852 0.679181 Mn\n0.013024 0.671052 0.335731 Mn\n0.986757 0.991028 0.980717 Mn\n0.307971 0.462338 0.233180 O\n0.698878 0.882217 0.429108 O\n0.805849 0.041384 0.765866 O\n0.692644 0.530367 0.782624 O\n0.195717 0.962367 0.212024 F\n0.797671 0.379691 0.431736 F\n0.800667 0.687650 0.099873 F\n0.700811 0.184766 0.103859 F\n0.279299 0.140037 0.569071 F\n0.313441 0.813229 0.885680 F\n0.192309 0.622433 0.579542 F\n0.203501 0.305952 0.909261 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.328028243707821,
"density_atomic": 0.08598619045053624,
"volume": 209.33593994206015,
"volume_molar": 7.003613869211069,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.9839088726819925,
"spacegroup": 1
},
{
"id": "jvasp-44018",
"created_at": "2022-09-04T14:35:56.143840Z",
"updated_at": "2022-09-04T14:35:56.143859Z",
"structure_string": "Fe6 O7 F5\n1.0\n5.501199 -0.021358 0.016708\n1.725138 5.178556 0.013252\n2.272217 1.627760 6.634822\nFe O F\n6 7 5\ndirect\n0.315696 0.302408 0.160159 Fe\n0.659167 0.662356 0.321957 Fe\n0.387453 0.326758 0.689865 Fe\n0.663051 0.676578 0.833818 Fe\n0.009971 0.013605 0.492058 Fe\n0.955586 0.031374 0.993406 Fe\n0.672317 0.315402 0.003448 O\n0.960999 0.353591 0.335933 O\n0.672104 0.023481 0.667453 O\n0.219483 0.236383 0.965265 O\n0.758110 0.768073 0.031338 O\n0.356728 0.951947 0.336845 O\n0.583327 0.574104 0.637145 O\n0.896827 0.894282 0.300468 F\n0.062080 0.637124 0.655716 F\n0.127870 0.103406 0.694177 F\n0.424506 0.414541 0.373762 F\n0.274736 0.714588 0.007184 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.762727807367634,
"density_atomic": 0.09524310794441637,
"volume": 188.99005280786042,
"volume_molar": 6.322915001382048,
"formula_full": "Fe6 O7 F5",
"formula_reduced": "Fe6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.470694939583333,
"spacegroup": 1
},
{
"id": "jvasp-42251",
"created_at": "2022-09-04T14:35:56.362640Z",
"updated_at": "2022-09-04T14:35:56.362666Z",
"structure_string": "Fe6 O6 F6\n1.0\n4.632586 -0.034231 0.034912\n0.031463 5.548146 -0.015095\n0.071293 0.566609 7.591899\nFe O F\n6 6 6\ndirect\n0.529677 0.837704 0.664936 Fe\n0.423018 0.511664 0.008232 Fe\n0.526699 0.184975 0.336623 Fe\n0.991538 0.323636 0.677436 Fe\n0.986033 0.655442 0.338125 Fe\n0.025526 -0.000042 0.973869 Fe\n0.200214 0.301932 0.896476 O\n0.314012 0.803118 0.886778 O\n0.289107 0.464160 0.241221 O\n0.706263 0.870380 0.437101 O\n0.799125 0.025969 0.759321 O\n0.804941 0.381372 0.442187 O\n0.789990 0.696850 0.094370 F\n0.702727 0.196377 0.094363 F\n0.703404 0.526091 0.783885 F\n0.291938 0.131382 0.558621 F\n0.192482 0.955294 0.229818 F\n0.223301 0.633709 0.576629 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.637585946715234,
"density_atomic": 0.09223029579750482,
"volume": 195.163637331487,
"volume_molar": 6.529460529132253,
"formula_full": "Fe6 O6 F6",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1102364275,
"spacegroup": 1
},
{
"id": "jvasp-95247",
"created_at": "2022-09-04T14:35:56.268489Z",
"updated_at": "2022-09-04T14:35:56.268520Z",
"structure_string": "Li12 H24 Ir4\n1.0\n8.492110 -0.000000 0.000000\n-0.000000 4.752113 0.000000\n0.000000 0.000000 8.472122\nLi H Ir\n12 24 4\ndirect\n0.540714 0.250000 0.869265 Li\n0.770557 0.750000 0.758831 Li\n0.270557 0.750000 0.741168 Li\n0.229443 0.250000 0.241168 Li\n0.602915 0.750000 0.478542 Li\n0.102915 0.750000 0.021458 Li\n0.729443 0.250000 0.258832 Li\n0.897085 0.250000 0.978542 Li\n0.959286 0.750000 0.369265 Li\n0.459286 0.750000 0.130735 Li\n0.040714 0.250000 0.630735 Li\n0.397085 0.250000 0.521458 Li\n0.387476 0.750000 0.559471 H\n0.104712 0.495644 0.820787 H\n0.612524 0.250000 0.440529 H\n0.112524 0.250000 0.059471 H\n0.887476 0.750000 0.940529 H\n0.225673 0.250000 0.896886 H\n0.334239 0.250000 0.733681 H\n0.165761 0.750000 0.233681 H\n0.665761 0.750000 0.266318 H\n0.725673 0.250000 0.603113 H\n0.604712 0.004356 0.679212 H\n0.834239 0.250000 0.766318 H\n0.895288 0.995643 0.179212 H\n0.345901 0.498625 0.971226 H\n0.895288 0.504356 0.179212 H\n0.395288 0.995643 0.320788 H\n0.104712 0.004356 0.820787 H\n0.604712 0.495644 0.679212 H\n0.274327 0.750000 0.396886 H\n0.845901 0.001375 0.528774 H\n0.654099 -0.001375 0.028774 H\n0.154099 0.501375 0.471226 H\n0.654099 0.501375 0.028774 H\n0.154099 -0.001375 0.471226 H\n0.345901 0.001375 0.971226 Ir\n0.845901 0.498625 0.528774 Ir\n0.395288 0.504356 0.320788 Ir\n0.774327 0.750000 0.103113 Ir\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Li",
"H",
"Ir"
],
"chemical_system": "H-Ir-Li",
"density": 4.256301604144274,
"density_atomic": 0.11699449309887358,
"volume": 341.896434101351,
"volume_molar": 5.147371128751,
"formula_full": "Li12 H24 Ir4",
"formula_reduced": "Li3H6Ir",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.60426311,
"spacegroup": 1
},
{
"id": "jvasp-42726",
"created_at": "2022-09-04T14:35:58.043517Z",
"updated_at": "2022-09-04T14:35:58.043532Z",
"structure_string": "Mn6 O4 F8\n1.0\n5.635115 0.017362 -0.022964\n1.589077 5.488107 0.002178\n1.965535 1.460205 6.762554\nMn O F\n6 4 8\ndirect\n0.293304 0.332116 0.161103 Mn\n0.686392 0.639594 0.329586 Mn\n0.349787 0.354012 0.686028 Mn\n0.678476 0.663186 0.834452 Mn\n0.002707 0.023572 0.493807 Mn\n0.987445 -0.000847 0.999696 Mn\n0.967950 0.349481 0.327178 O\n0.591029 0.558609 0.626993 O\n0.775830 0.758889 0.038550 O\n0.209390 0.234326 0.966280 O\n0.306468 0.705631 0.989190 F\n0.386712 0.942794 0.337003 F\n0.041660 0.669207 0.662074 F\n0.098228 0.132681 0.694507 F\n0.409818 0.420660 0.369987 F\n0.917406 0.889053 0.301988 F\n0.633048 0.029555 0.668090 F\n0.664352 0.297491 0.013491 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.332300145249624,
"density_atomic": 0.08607106155554657,
"volume": 209.12952245144058,
"volume_molar": 6.99670789596753,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.9834922060153255,
"spacegroup": 1
},
{
"id": "jvasp-98901",
"created_at": "2022-09-04T14:35:58.126625Z",
"updated_at": "2022-09-04T14:35:58.126638Z",
"structure_string": "Sr6 Te6 O18\n1.0\n5.962828 -0.172203 -0.066628\n-0.247310 7.862282 3.233286\n-0.425354 0.230346 11.893879\nSr Te O\n6 6 18\ndirect\n0.972017 0.471147 0.112146 Sr\n0.487307 0.762571 0.572221 Sr\n0.452579 0.784598 0.032555 Sr\n0.531916 0.089715 0.220910 Sr\n0.000287 0.748554 0.290222 Sr\n-0.015775 0.779136 0.778509 Sr\n0.019045 0.040817 0.415901 Te\n0.519485 0.097650 0.669240 Te\n0.967026 0.031903 -0.013088 Te\n0.439050 0.425637 0.895493 Te\n0.012493 0.409231 0.638484 Te\n0.480749 0.465233 0.347438 Te\n0.265094 0.569551 0.944343 O\n0.712671 0.559072 0.229581 O\n0.151808 0.577330 0.690360 O\n0.002784 0.815236 0.977002 O\n0.138989 0.490542 0.480906 O\n-0.052106 0.179279 0.250585 O\n0.633594 0.359641 0.036338 O\n0.259193 0.583917 0.227416 O\n0.247301 0.911453 0.386425 O\n0.785059 0.870915 0.414323 O\n0.227471 0.997828 0.093480 O\n0.742566 -0.013543 0.618864 O\n0.596507 -0.001864 0.839127 O\n0.642209 0.586481 0.785349 O\n0.292181 0.941035 0.654599 O\n0.425575 0.244906 0.351127 O\n0.748880 0.944300 0.111418 O\n0.179857 0.217836 0.733130 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sr",
"Te",
"O"
],
"chemical_system": "O-Sr-Te",
"density": 4.745133801956818,
"density_atomic": 0.05428170181676863,
"volume": 552.6724291229285,
"volume_molar": 11.09423720783133,
"formula_full": "Sr6 Te6 O18",
"formula_reduced": "SrTeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1944149153333332,
"spacegroup": 1
},
{
"id": "jvasp-44082",
"created_at": "2022-09-04T14:35:58.247872Z",
"updated_at": "2022-09-04T14:35:58.247897Z",
"structure_string": "Li2 Fe4 F10\n1.0\n5.177548 0.177586 -0.708624\n-2.195696 4.814461 2.318238\n-1.213453 -0.378395 7.405074\nLi Fe F\n2 4 10\ndirect\n0.387677 0.575563 0.948213 Li\n0.515811 0.074253 0.362132 Li\n0.845746 -0.005351 0.104592 Fe\n0.797298 0.510140 0.632340 Fe\n0.189762 0.469128 0.391829 Fe\n0.159990 -0.007657 0.914515 Fe\n0.124642 0.733620 0.768632 F\n0.516378 0.722777 0.526605 F\n-0.031309 0.717484 0.359180 F\n0.280763 0.217273 0.103154 F\n0.612397 0.217532 0.877111 F\n0.376446 0.740680 0.138028 F\n0.759615 0.744659 0.952588 F\n0.048793 0.277610 0.668703 F\n0.484109 0.279211 0.479698 F\n0.872815 0.213740 0.274665 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.798201382371827,
"density_atomic": 0.08565857292221452,
"volume": 186.78807566090788,
"volume_molar": 7.030400524496983,
"formula_full": "Li2 Fe4 F10",
"formula_reduced": "LiFe2F5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.7094903015625,
"spacegroup": 1
},
{
"id": "jvasp-91444",
"created_at": "2022-09-04T14:35:58.581054Z",
"updated_at": "2022-09-04T14:35:58.581084Z",
"structure_string": "Zn4 Ga12 N12 O4\n1.0\n6.458251 -0.000233 -0.001605\n-3.229324 5.593434 0.005504\n-0.002600 0.008822 10.512830\nZn Ga N O\n4 12 12 4\ndirect\n0.837609 0.660923 0.746428 Zn\n0.659985 0.322276 0.996123 Zn\n0.666166 0.832387 0.495103 Zn\n0.322893 0.161752 0.243261 Zn\n0.175034 0.839953 0.001843 Ga\n0.841633 0.165722 0.252014 Ga\n0.330332 0.664168 0.250392 Ga\n0.678315 0.337914 0.502186 Ga\n0.840736 0.675149 0.252157 Ga\n0.162178 0.820922 0.501990 Ga\n0.664305 0.840190 0.000631 Ga\n0.165424 0.331356 0.000334 Ga\n0.332705 0.164690 0.750203 Ga\n0.325292 0.664857 0.750518 Ga\n0.835041 0.173807 0.752214 Ga\n0.161307 0.340154 0.500307 Ga\n0.163350 0.339120 0.185798 N\n0.666270 0.832962 0.187443 N\n0.333292 0.666243 0.936686 N\n0.323111 0.162765 0.936311 N\n0.166998 0.333193 0.686587 N\n0.163058 0.823692 0.185791 N\n0.327444 0.663360 0.436152 N\n0.836708 0.172737 0.436282 N\n0.838562 0.163045 0.936149 N\n0.175520 0.838553 0.685949 N\n0.660162 0.322881 0.686560 N\n0.836947 0.662635 0.436842 N\n0.677885 0.339322 0.195254 O\n0.333578 0.167329 0.445823 O\n0.660618 0.837888 0.697120 O\n0.837541 0.678051 0.945531 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Zn",
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O-Zn",
"density": 5.817338950884094,
"density_atomic": 0.08426481623695029,
"volume": 379.75517456795853,
"volume_molar": 7.146684736208183,
"formula_full": "Zn4 Ga12 N12 O4",
"formula_reduced": "ZnGa3N3O",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 2.080288828125,
"spacegroup": 1
},
{
"id": "jvasp-42557",
"created_at": "2022-09-04T14:35:58.782076Z",
"updated_at": "2022-09-04T14:35:58.782095Z",
"structure_string": "Mn6 O8 F4\n1.0\n5.416772 -0.023044 -0.017419\n1.748756 5.129086 -0.025387\n2.280101 1.594918 6.665377\nMn O F\n6 8 4\ndirect\n0.306731 0.317773 0.161076 Mn\n0.658239 0.668097 0.327894 Mn\n0.344555 0.357844 0.689431 Mn\n0.671517 0.687843 0.827220 Mn\n0.998387 0.010624 0.503881 Mn\n0.021082 0.963862 0.998810 Mn\n0.314063 0.672009 -0.003398 O\n0.964187 0.362757 0.330394 O\n0.641237 0.046675 0.671316 O\n0.575114 0.579731 0.621946 O\n0.773618 0.761075 0.037767 O\n0.033759 0.654800 0.670338 O\n0.350594 0.969882 0.330204 O\n0.222510 0.210182 0.973114 O\n0.886516 0.904693 0.315598 F\n0.111685 0.127339 0.684767 F\n0.423607 0.422732 0.360707 F\n0.702593 0.282102 -0.001066 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.768315289036447,
"density_atomic": 0.09686316317347446,
"volume": 185.82915744516197,
"volume_molar": 6.217163019149819,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6777406987931034,
"spacegroup": 1
},
{
"id": "jvasp-86297",
"created_at": "2022-09-04T14:35:59.077028Z",
"updated_at": "2022-09-04T14:35:59.077059Z",
"structure_string": "Hg2 C4 Se4 N4\n1.0\n4.249415 0.000036 -0.000045\n0.000036 6.165178 -0.229561\n-0.000142 -0.002242 11.542277\nHg C Se N\n2 4 4 4\ndirect\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.214667 0.449073 0.628488 C\n0.785333 0.550928 0.371512 C\n0.644723 0.837252 0.842996 C\n0.855291 0.837260 0.342992 C\n0.355277 0.162749 0.157004 Se\n0.144710 0.162741 0.657008 Se\n0.285329 0.449090 0.128488 Se\n0.714671 0.550912 0.871512 Se\n0.749942 0.364706 0.883148 N\n0.250058 0.635295 0.116852 N\n0.750060 0.364724 0.383150 N\n0.249940 0.635278 0.616850 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Hg",
"C",
"Se",
"N"
],
"chemical_system": "C-Hg-N-Se",
"density": 4.508961538784856,
"density_atomic": 0.04629828645780099,
"volume": 302.38700114226543,
"volume_molar": 13.007264891950024,
"formula_full": "Hg2 C4 Se4 N4",
"formula_reduced": "HgC2(SeN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.8878439761904753,
"spacegroup": 1
},
{
"id": "jvasp-48408",
"created_at": "2022-09-04T14:35:59.383045Z",
"updated_at": "2022-09-04T14:35:59.383069Z",
"structure_string": "Li5 Ti2 V3 O10\n1.0\n5.096644 -0.002556 -0.003528\n0.837148 4.954178 0.017052\n2.421296 2.056504 7.013964\nLi Ti V O\n5 2 3 10\ndirect\n0.497623 0.777955 0.414186 Li\n0.522506 0.597237 0.778239 Li\n0.996894 0.503586 0.501102 Li\n0.497138 0.220694 0.591165 Li\n0.473423 0.401137 0.228418 Li\n0.005002 0.895601 0.699912 Ti\n0.989866 0.109939 0.302946 Ti\n0.484408 -0.002668 0.006817 V\n0.998019 0.682054 0.095763 V\n0.996494 0.322336 0.910037 V\n0.223665 0.137990 0.456543 O\n0.237182 0.964119 0.853691 O\n0.768416 0.866042 0.548594 O\n0.732544 0.659936 0.945938 O\n0.231192 0.755705 0.248912 O\n0.237334 0.558786 0.664228 O\n0.752723 0.444141 0.343027 O\n0.758855 0.234944 0.767087 O\n0.261285 0.346322 0.056787 O\n0.754709 0.043433 0.147557 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.159093817297592,
"density_atomic": 0.11301172979799508,
"volume": 176.9727800445969,
"volume_molar": 5.328774960585408,
"formula_full": "Li5 Ti2 V3 O10",
"formula_reduced": "Li5Ti2V3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.922899713333333,
"spacegroup": 1
}
]
}