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=formula_anonymous&page=76",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=74",
"results": [
{
"id": "jvasp-97953",
"created_at": "2022-09-04T14:35:43.116032Z",
"updated_at": "2022-09-04T14:35:43.116054Z",
"structure_string": "K8 P8 H8 O28\n1.0\n8.004307 -0.000688 -0.790269\n0.066645 8.084261 -1.066224\n-0.021036 -0.010180 11.188367\nK P H O\n8 8 8 28\ndirect\n0.747805 0.297405 0.945862 K\n0.252195 0.702595 0.054138 K\n0.287426 0.121869 0.929215 K\n0.712575 0.878131 0.070785 K\n0.388744 0.297629 0.567299 K\n0.611256 0.702371 0.432702 K\n0.175317 0.781647 0.548418 K\n0.824683 0.218353 0.451583 K\n0.524526 0.287834 0.217723 P\n0.475474 0.712166 0.782278 P\n0.215156 0.459438 0.286719 P\n0.784845 0.540562 0.713282 P\n0.375825 0.994115 0.297186 P\n0.945721 0.860633 0.804288 P\n0.624175 0.005885 0.702814 P\n0.054279 0.139367 0.195713 P\n0.923142 0.884612 0.333903 H\n0.975211 0.701269 0.318817 H\n0.024789 0.298731 0.681184 H\n0.076859 0.115388 0.666098 H\n0.096881 0.439841 0.862649 H\n0.733245 0.519091 0.178788 H\n0.266756 0.480908 0.821212 H\n0.903120 0.560159 0.137352 H\n0.896719 0.423689 0.777771 O\n0.781953 0.565519 0.112624 O\n0.218047 0.434481 0.887377 O\n0.348427 0.388190 0.192016 O\n0.651574 0.611809 0.807985 O\n0.479405 0.170109 0.316959 O\n0.520595 0.829890 0.683041 O\n0.553459 0.187966 0.099692 O\n0.446542 0.812033 0.900308 O\n0.653536 0.405645 0.283656 O\n0.346464 0.594354 0.716345 O\n0.103281 0.576311 0.222230 O\n0.300517 0.518612 0.409118 O\n0.227338 0.029268 0.191701 O\n0.111418 0.293964 0.300157 O\n0.888582 0.706036 0.699844 O\n0.019393 0.193208 0.073522 O\n0.980608 0.806792 0.926478 O\n0.925017 0.048442 0.248216 O\n0.074983 0.951558 0.751785 O\n0.479551 0.858226 0.238208 O\n0.520450 0.141774 0.761793 O\n0.311072 0.983103 0.416067 O\n0.688928 0.016897 0.583934 O\n0.083279 0.216617 0.626635 O\n0.772663 0.970732 0.808299 O\n0.699483 0.481388 0.590883 O\n0.916721 0.783382 0.373365 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.332440037545095,
"density_atomic": 0.07184635017335053,
"volume": 723.766758847661,
"volume_molar": 8.381971729210749,
"formula_full": "K8 P8 H8 O28",
"formula_reduced": "K2P2H2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.309973961538461,
"spacegroup": 2
},
{
"id": "jvasp-46787",
"created_at": "2022-09-04T14:38:07.518738Z",
"updated_at": "2022-09-04T14:38:07.518773Z",
"structure_string": "Li4 Si4 Ni4 O14\n1.0\n5.015066 0.000000 0.000000\n-2.507533 4.112912 0.000000\n0.000000 0.000000 13.057951\nLi Si Ni O\n4 4 4 14\ndirect\n0.341689 0.594450 0.583241 Li\n0.341689 0.594450 0.916759 Li\n0.747239 0.405549 0.416759 Li\n0.747239 0.405549 0.083241 Li\n0.398683 0.702607 0.363633 Si\n0.398683 0.702607 0.136367 Si\n0.696076 0.297393 0.636367 Si\n0.696076 0.297393 0.863632 Si\n0.014176 0.996356 0.750000 Ni\n0.017819 0.003643 0.250000 Ni\n0.040040 0.000000 0.000000 Ni\n0.040040 0.000000 0.500000 Ni\n0.327909 0.193188 0.864917 O\n0.752618 0.027729 0.130255 O\n0.752618 0.027729 0.369745 O\n0.848825 0.487234 0.750000 O\n0.327909 0.193188 0.635083 O\n0.367973 0.446906 0.449333 O\n0.134721 0.806812 0.135083 O\n0.724889 0.972271 0.630255 O\n0.724889 0.972271 0.869745 O\n0.361590 0.512765 0.250000 O\n0.134721 0.806812 0.364917 O\n0.921069 0.553094 0.949333 O\n0.367973 0.446906 0.050667 O\n0.921069 0.553094 0.550667 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 3.6921677177869157,
"density_atomic": 0.0965322086880852,
"volume": 269.3401544764316,
"volume_molar": 6.238478163758521,
"formula_full": "Li4 Si4 Ni4 O14",
"formula_reduced": "Li2Si2Ni2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.3571551153846158,
"spacegroup": 40
},
{
"id": "jvasp-98644",
"created_at": "2022-09-04T14:35:57.481754Z",
"updated_at": "2022-09-04T14:35:57.481781Z",
"structure_string": "Li12 P12 H12 O42\n1.0\n7.901822 4.562119 4.118941\n-7.901822 4.562119 4.118941\n-0.000000 -9.124238 4.118941\nLi P H O\n12 12 12 42\ndirect\n0.813165 0.186834 0.500000 Li\n0.761098 0.209354 0.761098 Li\n0.761098 0.761098 0.209354 Li\n0.209354 0.761098 0.761098 Li\n0.238902 0.238902 0.790646 Li\n0.790646 0.238902 0.238902 Li\n0.238902 0.790646 0.238902 Li\n0.500000 0.186834 0.813165 Li\n0.813165 0.500000 0.186834 Li\n0.500000 0.813165 0.186834 Li\n0.186834 0.500000 0.813165 Li\n0.186834 0.813165 0.500000 Li\n0.511506 0.698514 0.885113 P\n0.511506 0.885113 0.698514 P\n0.698514 0.511506 0.885113 P\n0.885113 0.698514 0.511506 P\n0.698514 0.885113 0.511506 P\n0.885113 0.511506 0.698514 P\n0.301486 0.114887 0.488494 P\n0.301486 0.488494 0.114887 P\n0.114887 0.301486 0.488494 P\n0.488494 0.301486 0.114887 P\n0.114887 0.488494 0.301486 P\n0.488494 0.114887 0.301486 P\n0.929831 0.028475 0.285528 H\n0.929831 0.285528 0.028475 H\n0.028475 0.929831 0.285528 H\n0.285528 0.028475 0.929831 H\n0.028475 0.285528 0.929831 H\n0.285528 0.929831 0.028475 H\n0.714472 0.971525 0.070169 H\n0.971525 0.070169 0.714472 H\n0.971525 0.714472 0.070169 H\n0.070169 0.971525 0.714472 H\n0.714472 0.070169 0.971525 H\n0.070169 0.714472 0.971525 H\n0.349703 0.657661 0.838203 O\n0.657661 0.838203 0.349703 O\n0.166647 0.448651 0.448651 O\n0.448651 0.448651 0.166647 O\n0.448651 0.166647 0.448651 O\n0.833353 0.551349 0.551349 O\n0.551349 0.551349 0.833353 O\n0.551349 0.833353 0.551349 O\n0.577123 0.789749 0.789749 O\n0.789749 0.577123 0.789749 O\n0.422877 0.210250 0.210250 O\n0.210250 0.210250 0.422877 O\n0.210250 0.422877 0.210250 O\n0.747996 0.073351 0.073351 O\n0.073351 0.073351 0.747996 O\n0.073351 0.747996 0.073351 O\n0.252003 0.926649 0.926649 O\n0.838203 0.349703 0.657661 O\n0.789749 0.789749 0.577123 O\n0.349703 0.838203 0.657661 O\n0.219470 0.956405 0.402657 O\n0.838203 0.657661 0.349703 O\n0.956405 0.402657 0.219470 O\n0.402656 0.219470 0.956405 O\n0.926649 0.926649 0.252003 O\n0.956405 0.219470 0.402657 O\n0.219470 0.402656 0.956405 O\n0.402657 0.956405 0.219470 O\n0.043595 0.597343 0.780530 O\n0.597343 0.780530 0.043594 O\n0.657661 0.349703 0.838203 O\n0.780530 0.043595 0.597343 O\n0.780530 0.597343 0.043594 O\n0.597343 0.043595 0.780530 O\n0.161797 0.342339 0.650297 O\n0.342339 0.650297 0.161797 O\n0.650297 0.161797 0.342339 O\n0.161797 0.650297 0.342339 O\n0.650297 0.342339 0.161797 O\n0.342339 0.161797 0.650297 O\n0.043595 0.780530 0.597343 O\n0.926649 0.252003 0.926649 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Li",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P",
"density": 2.1230496666492473,
"density_atomic": 0.08755156819742106,
"volume": 890.9035167036287,
"volume_molar": 6.878392796369568,
"formula_full": "Li12 P12 H12 O42",
"formula_reduced": "Li2P2H2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.615270423076923,
"spacegroup": 166
},
{
"id": "jvasp-28390",
"created_at": "2022-09-04T14:36:51.947464Z",
"updated_at": "2022-09-04T14:36:51.947485Z",
"structure_string": "K2 Mg2 Si2 O7\n1.0\n5.115816 -0.000003 0.000002\n-2.557911 4.430432 -0.000002\n0.000001 -0.000003 6.632863\nK Mg Si O\n2 2 2 7\ndirect\n0.333337 0.666669 0.500000 K\n0.666664 0.333332 0.500000 K\n0.666667 0.333334 -0.000000 Mg\n0.333333 0.666666 0.000000 Mg\n0.000000 0.000001 0.758045 Si\n0.000000 -0.000001 0.241955 Si\n0.000000 0.000000 0.500000 O\n0.688085 0.000001 0.180777 O\n0.311916 0.311916 0.180777 O\n-0.000000 0.688085 0.180778 O\n0.311916 0.000001 0.819222 O\n0.688085 0.688085 0.819222 O\n0.000000 0.311915 0.819222 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"K",
"Mg",
"Si",
"O"
],
"chemical_system": "K-Mg-O-Si",
"density": 3.258142540646234,
"density_atomic": 0.08647319013682288,
"volume": 150.33561245318518,
"volume_molar": 6.964170918722232,
"formula_full": "K2 Mg2 Si2 O7",
"formula_reduced": "K2Mg2Si2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 1.635114292307692,
"spacegroup": 162
},
{
"id": "jvasp-61253",
"created_at": "2022-09-04T14:35:51.813795Z",
"updated_at": "2022-09-04T14:35:51.813816Z",
"structure_string": "K6 Al6 B6 O21\n1.0\n4.314808 -7.473467 0.000000\n4.314808 7.473467 -0.000000\n0.000000 -0.000000 8.425528\nK Al B O\n6 6 6 21\ndirect\n0.000000 0.314652 0.000000 K\n0.314652 0.000000 0.000000 K\n0.685348 0.685348 0.000000 K\n0.000000 0.354317 0.500000 K\n0.354317 0.000000 0.500000 K\n0.645683 0.645683 0.500000 K\n0.000000 0.000000 0.704873 Al\n0.000000 0.000000 0.295127 Al\n0.666667 0.333333 0.813182 Al\n0.333333 0.666667 0.186818 Al\n0.333333 0.666667 0.775142 Al\n0.666667 0.333333 0.224858 Al\n0.998838 0.664861 0.257973 B\n0.666023 0.001162 0.257973 B\n0.335140 0.333978 0.257973 B\n0.001162 0.666023 0.742028 B\n0.333978 0.335140 0.742028 B\n0.664861 0.998838 0.742028 B\n0.115539 0.599556 0.256564 O\n0.000000 0.000000 0.500000 O\n0.821141 0.550401 0.295363 O\n0.729260 0.178860 0.295363 O\n0.449600 0.270740 0.295363 O\n0.550401 0.821141 0.704638 O\n0.178860 0.729260 0.704638 O\n0.270740 0.449600 0.704638 O\n0.484018 0.884462 0.256564 O\n0.942105 0.784266 0.777255 O\n0.599556 0.115539 0.743437 O\n0.884462 0.484018 0.743437 O\n0.515983 0.400444 0.743437 O\n0.057896 0.842162 0.222745 O\n0.784266 0.942105 0.222745 O\n0.157839 0.215734 0.222745 O\n0.842162 0.057896 0.777255 O\n0.333333 0.666667 0.980974 O\n0.215734 0.157839 0.777255 O\n0.400444 0.515983 0.256564 O\n0.666667 0.333333 0.019026 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"K",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-K-O",
"density": 2.4365639176420815,
"density_atomic": 0.07177180833817841,
"volume": 543.3888444922221,
"volume_molar": 8.390677202425415,
"formula_full": "K6 Al6 B6 O21",
"formula_reduced": "K2Al2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.3678993282051284,
"spacegroup": 150
},
{
"id": "jvasp-24284",
"created_at": "2022-09-04T14:38:20.160484Z",
"updated_at": "2022-09-04T14:38:20.160506Z",
"structure_string": "Rb8 Al8 B8 O28\n1.0\n0.000000 8.863194 -0.095884\n7.627686 0.000000 0.000000\n0.000000 -2.761907 -11.499283\nRb Al B O\n8 8 8 28\ndirect\n0.970605 0.357053 0.874696 Rb\n0.029394 0.857054 0.625304 Rb\n0.544204 0.864615 0.144881 Rb\n0.455795 0.364615 0.355119 Rb\n0.544204 0.635386 0.644880 Rb\n0.029394 0.642947 0.125304 Rb\n0.970605 0.142947 0.374696 Rb\n0.455795 0.135385 0.855119 Rb\n0.656474 0.125637 0.621029 Al\n0.814939 0.915130 0.864565 Al\n0.185060 0.084870 0.135435 Al\n0.185060 0.415130 0.635435 Al\n0.343525 0.625637 0.878970 Al\n0.656474 0.374364 0.121029 Al\n0.343525 0.874364 0.378970 Al\n0.814939 0.584871 0.364565 Al\n0.313877 0.390573 0.065318 B\n0.158676 0.917728 0.908745 B\n0.686122 0.890573 0.434682 B\n0.841323 0.082272 0.091255 B\n0.158677 0.582272 0.408745 B\n0.313877 0.109427 0.565317 B\n0.841323 0.417728 0.591255 B\n0.686122 0.609428 0.934682 B\n0.761245 0.322538 0.658404 O\n0.280297 0.541541 0.000770 O\n0.238754 0.822538 0.841595 O\n0.804602 0.686455 0.892999 O\n0.234877 0.969732 0.018009 O\n0.719702 0.041541 0.499230 O\n0.991869 0.033605 0.138985 O\n0.238754 0.677463 0.341595 O\n0.195396 0.186454 0.607000 O\n0.458331 0.185640 0.588131 O\n0.008130 0.966396 0.861015 O\n0.690626 0.524687 0.234716 O\n0.761245 0.177462 0.158404 O\n0.804603 0.813546 0.392999 O\n0.458331 0.314360 0.088132 O\n0.765122 0.469732 0.481991 O\n0.765122 0.030269 0.981991 O\n0.195397 0.313546 0.107000 O\n0.991869 0.466396 0.638985 O\n0.541668 0.814360 0.411868 O\n0.008130 0.533605 0.361015 O\n0.719702 0.458459 -0.000770 O\n0.309373 0.024687 0.265284 O\n0.280297 0.958460 0.500770 O\n0.309373 0.475314 0.765284 O\n0.234877 0.530269 0.518008 O\n0.541668 0.685640 0.911868 O\n0.690626 0.975314 0.734716 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Rb",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O-Rb",
"density": 3.0551842634046658,
"density_atomic": 0.06671485445136309,
"volume": 779.4366101466861,
"volume_molar": 9.026686499616515,
"formula_full": "Rb8 Al8 B8 O28",
"formula_reduced": "Rb2Al2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.367445020512821,
"spacegroup": 14
},
{
"id": "jvasp-88529",
"created_at": "2022-09-04T14:38:06.959814Z",
"updated_at": "2022-09-04T14:38:06.959844Z",
"structure_string": "Cr4 Hg4 H4 O18\n1.0\n5.148457 2.604528 -3.110551\n-5.148457 2.604528 3.110551\n-0.033731 0.000000 14.882498\nCr Hg H O\n4 4 4 18\ndirect\n0.758226 0.357150 0.599084 Cr\n0.357150 0.758226 0.900917 Cr\n0.241774 0.642850 0.400917 Cr\n0.642850 0.241774 0.099083 Cr\n0.968861 0.972572 0.624776 Hg\n0.972572 0.968861 0.875224 Hg\n0.031140 0.027429 0.375224 Hg\n0.027429 0.031139 0.124776 Hg\n0.591967 0.443190 0.290752 H\n0.443190 0.591967 0.209248 H\n0.408034 0.556810 0.709248 H\n0.556810 0.408034 0.790752 H\n0.729672 0.426678 0.986790 O\n0.426678 0.729672 0.513210 O\n0.270329 0.573323 0.013210 O\n0.573323 0.270329 0.486790 O\n0.274690 0.030876 0.074522 O\n0.030876 0.274690 0.425478 O\n0.725311 0.969125 0.925478 O\n0.969125 0.725310 0.574522 O\n0.017892 0.750228 0.336197 O\n0.457391 0.792197 0.329815 O\n0.207804 0.542610 0.829815 O\n0.542610 0.207804 0.670185 O\n0.750228 0.017892 0.163803 O\n0.599024 0.599024 0.750000 O\n0.249773 0.982108 0.836198 O\n0.982109 0.249773 0.663803 O\n0.792197 0.457391 0.170185 O\n0.400977 0.400976 0.250000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Cr",
"Hg",
"H",
"O"
],
"chemical_system": "Cr-H-Hg-O",
"density": 5.425816380748107,
"density_atomic": 0.07526696654632457,
"volume": 398.58122861289877,
"volume_molar": 8.00104087666872,
"formula_full": "Cr4 Hg4 H4 O18",
"formula_reduced": "Cr2Hg2H2O9",
"formula_anonymous": "A2B2C2D9",
"energy_above_hull": 2.6536557000000003,
"spacegroup": 15
},
{
"id": "jvasp-98298",
"created_at": "2022-09-04T14:38:11.981443Z",
"updated_at": "2022-09-04T14:38:11.981470Z",
"structure_string": "K8 Fe8 As8 O36\n1.0\n5.749918 0.000000 0.000000\n0.000000 8.416593 0.000000\n0.000000 0.000000 18.147980\nK Fe As O\n8 8 8 36\ndirect\n0.750000 0.957226 0.263063 K\n0.250000 0.102493 0.129235 K\n0.750000 0.457226 0.236937 K\n0.750000 0.897506 0.870765 K\n0.250000 0.542773 0.763063 K\n0.250000 0.042774 0.736937 K\n0.250000 0.602493 0.370765 K\n0.750000 0.397506 0.629235 K\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.750000 0.286778 0.429169 Fe\n0.750000 0.786778 0.070831 Fe\n0.250000 0.213222 0.929169 Fe\n0.250000 0.713222 0.570831 Fe\n0.000000 0.500000 0.000000 Fe\n0.750000 0.682144 0.442701 As\n0.250000 0.317856 0.557299 As\n0.250000 0.177627 0.347701 As\n0.750000 0.322372 0.847701 As\n0.750000 0.822372 0.652299 As\n0.250000 0.677627 0.152299 As\n0.250000 0.817856 0.942701 As\n0.750000 0.182144 0.057299 As\n0.993892 0.698695 0.642622 O\n-0.001792 0.273970 0.020075 O\n0.750000 0.686834 0.349736 O\n0.750000 0.492302 0.477149 O\n0.493891 0.801305 0.142622 O\n0.250000 0.578523 0.232546 O\n0.501792 0.773970 0.479925 O\n0.750000 0.921477 0.732546 O\n0.501792 0.273970 0.020075 O\n0.250000 0.507697 0.522851 O\n0.506109 0.198695 0.857378 O\n0.250000 0.313165 0.650264 O\n0.750000 0.547167 0.062112 O\n0.006109 0.801305 0.142622 O\n0.750000 0.992302 0.022851 O\n0.498208 0.226029 0.520075 O\n0.750000 0.047167 0.437888 O\n0.250000 0.007698 0.977149 O\n0.493891 0.301305 0.357378 O\n0.750000 0.464958 0.917753 O\n0.006109 0.301305 0.357378 O\n0.498208 0.726029 0.979925 O\n0.001792 0.726029 0.979925 O\n0.750000 0.421477 0.767454 O\n0.750000 0.186834 0.150264 O\n-0.001792 0.773970 0.479925 O\n0.250000 0.452833 0.937888 O\n0.250000 0.952833 0.562112 O\n0.250000 0.535042 0.082247 O\n0.250000 0.813165 0.849736 O\n0.506109 0.698695 0.642622 O\n0.250000 0.078523 0.267454 O\n0.001792 0.226029 0.520075 O\n0.250000 0.035042 0.417753 O\n0.750000 0.964957 0.582247 O\n0.993892 0.198695 0.857378 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-K-O",
"density": 3.658312606419128,
"density_atomic": 0.06831640124278991,
"volume": 878.2664032135677,
"volume_molar": 8.815073174885036,
"formula_full": "K8 Fe8 As8 O36",
"formula_reduced": "K2Fe2As2O9",
"formula_anonymous": "A2B2C2D9",
"energy_above_hull": 2.4929354666666668,
"spacegroup": 62
},
{
"id": "jvasp-17494",
"created_at": "2022-09-04T14:38:32.774317Z",
"updated_at": "2022-09-04T14:38:32.774344Z",
"structure_string": "Ni3 Pb2 Se2\n1.0\n4.963026 -0.016815 3.032159\n1.692534 4.665537 3.032159\n-0.024074 -0.016815 5.815929\nNi Pb Se\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500001 -0.000001 0.500000 Ni\n0.500001 0.499999 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.779183 0.779181 0.779182 Se\n0.220818 0.220818 0.220818 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ni",
"Pb",
"Se"
],
"chemical_system": "Ni-Pb-Se",
"density": 9.182212493997573,
"density_atomic": 0.05172046092763651,
"volume": 135.34295469241638,
"volume_molar": 11.643633200457629,
"formula_full": "Ni3 Pb2 Se2",
"formula_reduced": "Ni3(PbSe)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.0053079390476192,
"spacegroup": 166
},
{
"id": "jvasp-17307",
"created_at": "2022-09-04T14:38:30.308401Z",
"updated_at": "2022-09-04T14:38:30.308424Z",
"structure_string": "Rh3 Pb2 S2\n1.0\n5.008460 -0.000928 2.826670\n1.650035 4.728853 2.826670\n-0.001308 -0.000928 5.751063\nRh Pb S\n3 2 2\ndirect\n0.500000 -0.000000 0.000000 Rh\n-0.000000 -0.000000 0.500000 Rh\n0.000001 0.500000 -0.000000 Rh\n0.500000 0.499999 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.717372 0.717371 0.717371 S\n0.282629 0.282628 0.282628 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rh",
"Pb",
"S"
],
"chemical_system": "Pb-Rh-S",
"density": 9.59488508838611,
"density_atomic": 0.05137809316240598,
"volume": 136.24483839587086,
"volume_molar": 11.721222780619813,
"formula_full": "Rh3 Pb2 S2",
"formula_reduced": "Rh3(PbS)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.0579858057142864,
"spacegroup": 166
},
{
"id": "jvasp-86486",
"created_at": "2022-09-04T14:36:08.741660Z",
"updated_at": "2022-09-04T14:36:08.741683Z",
"structure_string": "Ho2 Mo2 C3\n1.0\n3.205648 0.000000 -0.916380\n-0.580732 5.290137 -2.031497\n0.001007 -0.021278 6.068652\nHo Mo C\n2 2 3\ndirect\n0.390009 0.175687 0.780017 Ho\n0.609993 0.824313 0.219982 Ho\n0.156261 0.326595 0.312519 Mo\n0.843742 0.673406 0.687480 Mo\n0.751235 0.264984 0.502468 C\n0.248767 0.735016 0.497531 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ho",
"Mo",
"C"
],
"chemical_system": "C-Ho-Mo",
"density": 9.012468615840989,
"density_atomic": 0.06811384907929169,
"volume": 102.76911515969775,
"volume_molar": 8.841286818176425,
"formula_full": "Ho2 Mo2 C3",
"formula_reduced": "Ho2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.293377561904761,
"spacegroup": 12
},
{
"id": "jvasp-46065",
"created_at": "2022-09-04T14:38:10.636276Z",
"updated_at": "2022-09-04T14:38:10.636292Z",
"structure_string": "K8 Mg8 O12\n1.0\n6.443983 -0.000000 -0.000000\n-0.000000 6.443983 -0.000000\n-0.000000 0.000000 10.306069\nK Mg O\n8 8 12\ndirect\n0.932411 0.735835 0.360195 K\n0.264165 0.067589 0.139805 K\n0.235835 0.567589 0.610195 K\n0.567589 0.235835 0.389805 K\n0.432411 0.764165 0.889805 K\n0.764165 0.432411 0.110195 K\n0.735835 0.932411 0.639805 K\n0.067589 0.264165 0.860195 K\n0.072138 0.222335 0.382513 Mg\n0.777664 0.927862 0.117487 Mg\n0.427862 0.722335 0.367487 Mg\n0.722335 0.427862 0.632513 Mg\n0.277665 0.572138 0.132513 Mg\n0.222335 0.072138 0.617487 Mg\n0.927862 0.777664 0.882513 Mg\n0.572138 0.277665 0.867487 Mg\n0.618670 0.618670 0.500000 O\n0.970405 0.263170 0.565587 O\n0.381329 0.381329 0.000000 O\n0.236830 0.470405 0.315587 O\n0.263170 0.970405 0.434414 O\n0.118671 0.881329 0.750000 O\n0.529595 0.763170 0.184414 O\n0.470405 0.236830 0.684414 O\n0.881329 0.118671 0.250000 O\n0.736830 0.029595 0.934414 O\n0.763170 0.529595 0.815587 O\n0.029595 0.736830 0.065587 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Mg",
"O"
],
"chemical_system": "K-Mg-O",
"density": 2.713067661436921,
"density_atomic": 0.06542688042866313,
"volume": 427.95865883486886,
"volume_molar": 9.204383153444278,
"formula_full": "K8 Mg8 O12",
"formula_reduced": "K2Mg2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.2804135142857144,
"spacegroup": 96
}
]
}