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=-nsites&page=481",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=479",
"results": [
{
"id": "jvasp-25848",
"created_at": "2022-09-04T14:37:53.390342Z",
"updated_at": "2022-09-04T14:37:53.390365Z",
"structure_string": "Ba6 Na2 Bi2 O12\n1.0\n7.319448 -0.007560 -0.236069\n-0.243561 7.315398 -0.236069\n-0.007320 -0.007560 7.323250\nBa Na Bi O\n6 2 2 12\ndirect\n0.897637 0.250000 0.602363 Ba\n0.102364 0.750000 0.397636 Ba\n0.602364 0.897637 0.250000 Ba\n0.750000 0.397637 0.102363 Ba\n0.397637 0.102363 0.750000 Ba\n0.250000 0.602364 0.897636 Ba\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.417700 0.551592 0.218868 O\n0.551592 0.218868 0.417700 O\n0.281133 0.948408 0.082300 O\n0.082300 0.281132 0.948408 O\n0.781133 0.582300 0.448408 O\n0.917700 0.718868 0.051592 O\n0.051592 0.917700 0.718868 O\n0.948408 0.082300 0.281132 O\n0.718868 0.051592 0.917700 O\n0.218868 0.417700 0.551592 O\n0.582300 0.448408 0.781132 O\n0.448408 0.781133 0.582300 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Na-O",
"density": 6.26763638689469,
"density_atomic": 0.056110796423810505,
"volume": 392.0814068264471,
"volume_molar": 10.732588278580407,
"formula_full": "Ba6 Na2 Bi2 O12",
"formula_reduced": "Ba3NaBiO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3245502009090906,
"spacegroup": 167
},
{
"id": "jvasp-40905",
"created_at": "2022-09-04T14:37:38.067581Z",
"updated_at": "2022-09-04T14:37:38.067611Z",
"structure_string": "Li2 Nb2 P4 O14\n1.0\n0.000000 4.955068 0.001654\n8.594915 0.000000 0.000000\n0.000000 -2.267932 -6.788817\nLi Nb P O\n2 2 4 14\ndirect\n0.179179 0.206238 0.659678 Li\n0.820822 0.706238 0.340323 Li\n0.205762 0.554703 0.723058 Nb\n0.794239 0.054703 0.276943 Nb\n0.405780 0.879524 0.539686 P\n0.215997 0.264813 0.077875 P\n0.784004 0.764813 0.922126 P\n0.594221 0.379525 0.460315 P\n0.787199 0.523735 0.497512 O\n0.765880 0.228311 0.492534 O\n0.615385 0.879347 0.421097 O\n0.389896 0.116650 0.081954 O\n0.411811 0.391812 0.230839 O\n0.588190 0.891812 0.769162 O\n0.212802 0.023735 0.502489 O\n0.384617 0.379347 0.578904 O\n0.234121 0.728311 0.507467 O\n0.856526 0.843624 0.122400 O\n0.143475 0.343625 0.877601 O\n0.042159 0.734587 0.855722 O\n0.610105 0.616649 0.918047 O\n0.957842 0.234587 0.144279 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Nb",
"P",
"O"
],
"chemical_system": "Li-Nb-O-P",
"density": 3.1452916104749806,
"density_atomic": 0.07610020133364528,
"volume": 289.09253345527486,
"volume_molar": 7.913436041512156,
"formula_full": "Li2 Nb2 P4 O14",
"formula_reduced": "LiNbP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.9840331727272726,
"spacegroup": 4
},
{
"id": "jvasp-119621",
"created_at": "2022-09-04T14:38:53.774784Z",
"updated_at": "2022-09-04T14:38:53.774811Z",
"structure_string": "Sr6 In2 Ni2 O12\n1.0\n6.633726 0.036024 -0.292554\n-0.217892 6.851483 -0.210792\n-0.046105 0.036894 6.639999\nSr In Ni O\n6 2 2 12\ndirect\n0.620454 0.877982 0.252065 Sr\n0.879835 0.249997 0.620153 Sr\n0.247936 0.622016 0.879561 Sr\n0.120164 0.750002 0.379850 Sr\n0.752066 0.377982 0.120439 Sr\n0.379549 0.122015 0.747934 Sr\n0.254504 0.250006 0.245492 In\n0.745498 0.749993 0.754510 In\n0.500001 0.499999 0.500001 Ni\n1.000000 -0.000001 1.000000 Ni\n0.964532 0.085732 0.282230 O\n0.583449 0.454822 0.779251 O\n0.782228 0.585717 0.464540 O\n0.455598 0.796103 0.596755 O\n0.720746 0.045175 0.916550 O\n0.544404 0.203895 0.403247 O\n0.035471 0.914267 0.717773 O\n0.416554 0.545180 0.220749 O\n0.217771 0.414282 0.535461 O\n0.096746 0.296094 0.955582 O\n0.903253 0.703905 0.044420 O\n0.279256 0.954822 0.083450 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"In",
"Ni",
"O"
],
"chemical_system": "In-Ni-O-Sr",
"density": 5.858151542702023,
"density_atomic": 0.07289410538227462,
"volume": 301.80766859853196,
"volume_molar": 8.261492103399052,
"formula_full": "Sr6 In2 Ni2 O12",
"formula_reduced": "Sr3InNiO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.251703845454545,
"spacegroup": 15
},
{
"id": "jvasp-122056",
"created_at": "2022-09-04T14:38:55.118721Z",
"updated_at": "2022-09-04T14:38:55.118737Z",
"structure_string": "Na4 In4 Ge2 S12\n1.0\n6.995384 0.050544 2.000479\n2.642070 6.477454 2.000479\n0.051591 0.034945 12.405294\nNa In Ge S\n4 4 2 12\ndirect\n0.910424 0.527162 0.337915 Na\n0.527162 0.910424 0.837914 Na\n0.077588 0.922230 0.503227 Na\n0.922230 0.077588 0.003227 Na\n0.618103 0.454799 0.691286 In\n0.454799 0.618103 0.191286 In\n0.283371 0.417759 0.997613 In\n0.417759 0.283371 0.497613 In\n0.064812 0.514896 0.750160 Ge\n0.514896 0.064812 0.250160 Ge\n0.705988 0.790644 0.162173 S\n0.790645 0.705987 0.662173 S\n0.206481 0.217742 0.196403 S\n0.217742 0.206481 0.696402 S\n0.714766 0.248262 0.203146 S\n0.743545 0.292450 0.520119 S\n0.214756 0.611815 0.378993 S\n0.611814 0.214757 0.878993 S\n0.292450 0.743545 0.020119 S\n0.956323 0.471796 0.939116 S\n0.248263 0.714766 0.703146 S\n0.471797 0.956323 0.439116 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"In",
"Ge",
"S"
],
"chemical_system": "Ge-In-Na-S",
"density": 3.209231335426813,
"density_atomic": 0.03932167308852163,
"volume": 559.4878923506948,
"volume_molar": 15.315067460234596,
"formula_full": "Na4 In4 Ge2 S12",
"formula_reduced": "Na2In2GeS6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.9997294445454544,
"spacegroup": 9
},
{
"id": "jvasp-122516",
"created_at": "2022-09-04T14:38:54.825997Z",
"updated_at": "2022-09-04T14:38:54.826024Z",
"structure_string": "Li4 Ti2 V4 O12\n1.0\n5.716267 0.008733 -1.306951\n-0.291727 5.774299 -1.423220\n0.015629 -0.046038 6.580616\nLi Ti V O\n4 2 4 12\ndirect\n0.335082 0.849777 0.344399 Li\n0.835089 0.849778 0.344392 Li\n0.498246 0.483556 0.988936 Li\n0.998240 0.483553 0.988943 Li\n0.666669 0.666687 0.666675 Ti\n0.166660 0.666646 0.666663 Ti\n0.489486 0.010542 0.993183 V\n0.343843 0.322787 0.340154 V\n0.989538 0.010544 0.993192 V\n0.843792 0.322787 0.340147 V\n0.083547 0.088593 0.315810 O\n0.583535 0.088553 0.315812 O\n0.917361 0.890113 0.670945 O\n0.417342 0.890113 0.670948 O\n0.915969 0.443220 0.662391 O\n0.741957 0.767115 0.988142 O\n0.091371 0.566219 0.345194 O\n0.591371 0.566249 0.345189 O\n0.241957 0.767084 0.988146 O\n0.249794 0.244781 0.017523 O\n0.415987 0.443220 0.662388 O\n0.749781 0.244741 0.017525 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.9743698425772567,
"density_atomic": 0.1014050700764149,
"volume": 216.9516769074925,
"volume_molar": 5.938697892977097,
"formula_full": "Li4 Ti2 V4 O12",
"formula_reduced": "Li2TiV2O6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.883676157575757,
"spacegroup": 2
},
{
"id": "jvasp-117016",
"created_at": "2022-09-04T14:38:49.207031Z",
"updated_at": "2022-09-04T14:38:49.207059Z",
"structure_string": "Mn2 Ni2 P4 O14\n1.0\n4.511735 -0.007215 -0.002897\n-1.448005 6.391627 0.007667\n0.005433 -0.008442 8.371133\nMn Ni P O\n2 2 4 14\ndirect\n0.538246 0.713491 0.700030 Mn\n0.538242 0.213495 0.200032 Mn\n0.538408 0.713461 0.321490 Ni\n0.538407 0.213459 0.821492 Ni\n0.129488 0.497262 0.998228 P\n0.129489 0.997266 0.498229 P\n0.947163 0.929642 0.998213 P\n0.947163 0.429642 0.498213 P\n0.253187 0.589107 0.506732 O\n0.253191 0.089103 0.006732 O\n0.753810 0.957654 0.851088 O\n0.753808 0.457656 0.351089 O\n0.322912 0.969298 0.351124 O\n0.322912 0.469296 0.851122 O\n0.303960 0.508226 0.154784 O\n0.772661 0.418685 0.654758 O\n0.303962 0.008230 0.654784 O\n0.823511 0.337753 0.006748 O\n0.038250 0.213427 0.456800 O\n0.038250 0.713424 0.956800 O\n0.772661 0.918684 0.154758 O\n0.823512 0.837756 0.506748 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mn",
"Ni",
"P",
"O"
],
"chemical_system": "Mn-Ni-O-P",
"density": 3.9577408166433945,
"density_atomic": 0.09116752355776546,
"volume": 241.3140024151296,
"volume_molar": 6.6055767722858665,
"formula_full": "Mn2 Ni2 P4 O14",
"formula_reduced": "MnNiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.918422285579937,
"spacegroup": 5
},
{
"id": "jvasp-122001",
"created_at": "2022-09-04T14:38:54.648384Z",
"updated_at": "2022-09-04T14:38:54.648415Z",
"structure_string": "Sm6 Ta2 O14\n1.0\n8.279102 -0.008111 0.000000\n-4.772944 6.764806 0.000000\n-0.000000 -0.000000 5.460428\nSm Ta O\n6 2 14\ndirect\n0.382023 0.617978 0.525860 Sm\n0.500000 0.000000 -0.000000 Sm\n0.882022 0.117978 0.474141 Sm\n0.617978 0.382022 0.474141 Sm\n0.000000 0.500000 -0.000000 Sm\n0.117979 0.882023 0.525860 Sm\n0.750001 0.750001 -0.000000 Ta\n0.250000 0.250000 -0.000000 Ta\n0.606692 0.839049 0.233248 O\n0.393309 0.160952 0.766752 O\n0.250001 0.750000 0.754502 O\n0.160952 0.393309 0.233248 O\n0.839049 0.606692 0.766752 O\n0.106692 0.339049 0.766752 O\n0.489292 0.510708 0.792660 O\n0.750000 0.250000 0.245499 O\n0.660952 0.893309 0.766752 O\n0.339049 0.106691 0.233248 O\n0.510708 0.489292 0.207340 O\n0.989292 0.010708 0.207340 O\n0.010709 0.989293 0.792660 O\n0.893309 0.660952 0.233248 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Ta",
"O"
],
"chemical_system": "O-Sm-Ta",
"density": 8.0853884059076,
"density_atomic": 0.07198760368234744,
"volume": 305.60817244420605,
"volume_molar": 8.3655246902971,
"formula_full": "Sm6 Ta2 O14",
"formula_reduced": "Sm3TaO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.799101847727272,
"spacegroup": 67
},
{
"id": "jvasp-121794",
"created_at": "2022-09-04T14:38:55.162475Z",
"updated_at": "2022-09-04T14:38:55.162501Z",
"structure_string": "Ta2 In6 O14\n1.0\n6.270974 -0.008776 0.049087\n-0.897912 5.950297 -1.800689\n0.028873 0.034057 7.466050\nTa In O\n2 6 14\ndirect\n0.000000 0.000000 0.000000 Ta\n-0.000000 0.000000 0.500000 Ta\n0.728040 0.469315 0.118846 In\n0.738814 0.454770 0.604856 In\n0.534355 0.993681 0.754215 In\n0.465645 0.006319 0.245785 In\n0.261185 0.545231 0.395144 In\n0.271959 0.530685 0.881154 In\n0.290048 0.909526 0.941697 O\n0.068087 0.356969 0.611286 O\n0.093365 0.048521 0.263255 O\n0.438418 0.659755 0.168356 O\n0.478530 0.644085 0.661232 O\n0.521470 0.355915 0.338769 O\n0.709951 0.090474 0.058303 O\n0.906635 0.951480 0.736745 O\n0.931913 0.643031 0.388714 O\n0.100099 0.322250 0.033703 O\n0.899900 0.677750 0.966297 O\n0.707952 0.056668 0.470107 O\n0.561582 0.340246 0.831644 O\n0.292048 0.943333 0.529893 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"In",
"O"
],
"chemical_system": "In-O-Ta",
"density": 7.589834209685578,
"density_atomic": 0.07887972696848192,
"volume": 278.90563070522,
"volume_molar": 7.634586213015513,
"formula_full": "Ta2 In6 O14",
"formula_reduced": "TaIn3O7",
"formula_anonymous": "AB3C7",
"energy_above_hull": null,
"spacegroup": 2
},
{
"id": "jvasp-122427",
"created_at": "2022-09-04T14:38:54.116514Z",
"updated_at": "2022-09-04T14:38:54.116533Z",
"structure_string": "Na4 B2 S2 O8 F6\n1.0\n5.985551 0.010846 2.658626\n0.456879 6.525221 0.629888\n0.030266 -0.018113 6.584028\nNa B S O F\n4 2 2 8 6\ndirect\n0.730066 0.850746 0.392774 Na\n0.269934 0.149255 0.607227 Na\n0.729914 0.407488 0.762207 Na\n0.270087 0.592513 0.237794 Na\n0.829780 0.882628 0.863441 B\n0.170220 0.117373 0.136560 B\n0.226049 0.644810 0.728534 S\n0.773951 0.355191 0.271467 S\n0.648854 0.206037 0.449614 O\n0.351147 0.793964 0.550387 O\n0.858465 0.507190 0.363487 O\n0.141535 0.492811 0.636514 O\n0.350112 0.552242 0.858373 O\n0.981837 0.234510 0.097826 O\n0.018164 0.765491 0.902175 O\n0.649889 0.447759 0.141628 O\n0.662019 0.917899 0.075581 F\n0.751091 0.774160 0.737349 F\n0.248909 0.225841 0.262652 F\n0.900391 0.073846 0.743719 F\n0.099609 0.926155 0.256282 F\n0.337982 0.082102 0.924420 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"B",
"S",
"O",
"F"
],
"chemical_system": "B-F-Na-O-S",
"density": 2.7155499939841765,
"density_atomic": 0.08572269879174722,
"volume": 256.6414766460666,
"volume_molar": 7.025141350985754,
"formula_full": "Na4 B2 S2 O8 F6",
"formula_reduced": "Na2BSO4F3",
"formula_anonymous": "ABC2D3E4",
"energy_above_hull": 1.3424568573484852,
"spacegroup": 2
},
{
"id": "jvasp-122064",
"created_at": "2022-09-04T14:38:54.338859Z",
"updated_at": "2022-09-04T14:38:54.338894Z",
"structure_string": "Te4 H4 O6 F8\n1.0\n10.612514 0.025370 5.321965\n9.691711 4.307797 0.901267\n0.006706 -0.031188 6.223231\nTe H O F\n4 4 6 8\ndirect\n0.692235 0.410027 0.082759 Te\n0.814978 0.082758 0.410026 Te\n0.839973 0.557764 0.435022 Te\n0.167241 0.435022 0.557764 Te\n0.437965 0.761113 0.806788 H\n0.994133 0.806788 0.761113 H\n0.488886 0.812036 0.255867 H\n0.443212 0.255866 0.812035 H\n0.526875 0.207421 0.604536 O\n0.661166 0.604537 0.207422 O\n0.042578 0.723125 0.588833 O\n0.645463 0.588833 0.723125 O\n0.537109 0.462891 0.462890 O\n0.787109 0.712891 0.712890 O\n0.565148 0.355088 0.847971 F\n0.231793 0.847972 0.355088 F\n0.894911 0.684852 0.018207 F\n0.402028 0.018206 0.684851 F\n0.211029 0.153191 0.359113 F\n0.276667 0.359114 0.153191 F\n0.096810 0.038970 0.973332 F\n0.890885 0.973334 0.038971 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Te",
"H",
"O",
"F"
],
"chemical_system": "F-H-O-Te",
"density": 4.497239293085934,
"density_atomic": 0.0781498102813162,
"volume": 281.51060022803006,
"volume_molar": 7.705893000024023,
"formula_full": "Te4 H4 O6 F8",
"formula_reduced": "Te2H2O3F4",
"formula_anonymous": "A2B2C3D4",
"energy_above_hull": 1.35116156030303,
"spacegroup": 43
},
{
"id": "jvasp-122068",
"created_at": "2022-09-04T14:38:54.848396Z",
"updated_at": "2022-09-04T14:38:54.848422Z",
"structure_string": "Tb6 Ga4 Ni12\n1.0\n7.243127 -0.000000 -2.560832\n-3.621563 6.272732 -2.560832\n-0.000000 -0.000000 7.682496\nTb Ga Ni\n6 4 12\ndirect\n0.709556 0.709555 0.000000 Tb\n0.290445 0.000000 0.290445 Tb\n0.000000 0.290444 0.290445 Tb\n0.290445 0.290444 0.000000 Tb\n0.709556 0.000000 0.709556 Tb\n0.000000 0.709555 0.709556 Tb\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500001 Ga\n0.663353 0.663353 0.326706 Ni\n0.673295 0.336647 0.336648 Ni\n0.336647 0.000000 0.663353 Ni\n0.336648 0.663353 0.000000 Ni\n0.000000 0.336647 0.663353 Ni\n0.336648 0.336647 0.673295 Ni\n0.663353 0.336647 0.000000 Ni\n0.000000 0.663353 0.336648 Ni\n0.663353 0.000000 0.336648 Ni\n0.663353 0.326705 0.663353 Ni\n0.336648 0.673294 0.336648 Ni\n0.326706 0.663353 0.663353 Ni\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Tb",
"density": 9.21384341701556,
"density_atomic": 0.06302857741664614,
"volume": 349.0480176090679,
"volume_molar": 9.554619518367117,
"formula_full": "Tb6 Ga4 Ni12",
"formula_reduced": "Tb3(GaNi3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": null,
"spacegroup": 229
},
{
"id": "jvasp-121322",
"created_at": "2022-09-04T14:38:54.073910Z",
"updated_at": "2022-09-04T14:38:54.073936Z",
"structure_string": "Ba6 U2 Ag2 S12\n1.0\n8.471208 0.004042 -0.395119\n-0.414166 8.461078 -0.395119\n0.003847 0.004042 8.480416\nBa U Ag S\n6 2 2 12\ndirect\n0.375455 0.124545 0.750000 Ba\n0.750000 0.375455 0.124545 Ba\n0.124545 0.750000 0.375455 Ba\n0.250000 0.624545 0.875455 Ba\n0.875455 0.250000 0.624545 Ba\n0.624545 0.875455 0.250000 Ba\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.951617 0.083832 0.295309 S\n0.583832 0.451617 0.795309 S\n0.451617 0.795309 0.583832 S\n0.795309 0.583832 0.451617 S\n0.916168 0.704691 0.048383 S\n0.204692 0.416168 0.548383 S\n0.048383 0.916168 0.704692 S\n0.416168 0.548383 0.204691 S\n0.548383 0.204691 0.416168 S\n0.295308 0.951617 0.083832 S\n0.704692 0.048383 0.916169 S\n0.083832 0.295308 0.951618 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"U",
"Ag",
"S"
],
"chemical_system": "Ag-Ba-S-U",
"density": 5.191675997763493,
"density_atomic": 0.03619136920696485,
"volume": 607.8797371326368,
"volume_molar": 16.639715191656993,
"formula_full": "Ba6 U2 Ag2 S12",
"formula_reduced": "Ba3UAgS6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6316219245454542,
"spacegroup": 167
}
]
}