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=-volume&page=398",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=396",
"results": [
{
"id": "jvasp-28971",
"created_at": "2022-09-04T14:37:17.370118Z",
"updated_at": "2022-09-04T14:37:17.370141Z",
"structure_string": "Te4 Mo2 W2 Se4\n1.0\n3.447298 0.000034 0.000104\n-1.723621 2.985486 -0.000395\n0.001103 -0.004281 36.492029\nTe Mo W Se\n4 2 2 4\ndirect\n0.333394 0.666587 0.327269 Te\n0.666606 0.333413 0.424189 Te\n0.666666 0.333674 0.526531 Te\n0.333335 0.666326 0.224927 Te\n0.333041 0.665633 0.088273 Mo\n0.666959 0.334367 0.663186 Mo\n0.333299 0.666886 0.475366 W\n0.666701 0.333114 0.276092 W\n0.333668 0.667844 0.707920 Se\n0.666332 0.332156 0.043538 Se\n0.666421 0.332431 0.133086 Se\n0.333579 0.667570 0.618372 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.12710481962706,
"density_atomic": 0.03195117998656645,
"volume": 375.5729836909084,
"volume_molar": 18.84794477866529,
"formula_full": "Te4 Mo2 W2 Se4",
"formula_reduced": "Te2MoWSe2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.381561361111112,
"spacegroup": 164
},
{
"id": "jvasp-59107",
"created_at": "2022-09-04T14:38:35.503026Z",
"updated_at": "2022-09-04T14:38:35.503038Z",
"structure_string": "Zr6 Co23\n1.0\n7.013463 0.000000 4.049225\n2.337821 6.612356 4.049225\n-0.000000 0.000000 8.098449\nZr Co\n6 23\ndirect\n0.211139 0.788861 0.788860 Zr\n0.788860 0.211140 0.788860 Zr\n0.211140 0.211140 0.788860 Zr\n0.788860 0.788861 0.211139 Zr\n0.788860 0.211140 0.211139 Zr\n0.211139 0.788861 0.211139 Zr\n0.825375 0.825376 0.825375 Co\n0.174624 0.174624 0.476129 Co\n0.174624 0.476129 0.174624 Co\n0.476129 0.174624 0.174624 Co\n0.825375 0.523871 0.825375 Co\n0.523871 0.825376 0.825375 Co\n0.825375 0.825376 0.523870 Co\n0.174624 0.174624 0.174624 Co\n0.500000 0.500000 0.500000 Co\n0.379242 0.862273 0.379242 Co\n0.862272 0.379243 0.379242 Co\n0.620757 0.137728 0.620757 Co\n0.137728 0.620758 0.620757 Co\n0.620757 0.620758 0.137727 Co\n0.379242 0.379243 0.379242 Co\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000001 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.379242 0.379243 0.862272 Co\n0.620757 0.620758 0.620757 Co\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Zr",
"Co"
],
"chemical_system": "Co-Zr",
"density": 8.413047859429453,
"density_atomic": 0.07721601930637106,
"volume": 375.56973618306193,
"volume_molar": 7.7990821258291865,
"formula_full": "Zr6 Co23",
"formula_reduced": "Zr6Co23",
"formula_anonymous": "A6B23",
"energy_above_hull": 4.4870606103448285,
"spacegroup": 225
},
{
"id": "jvasp-30395",
"created_at": "2022-09-04T14:38:04.016206Z",
"updated_at": "2022-09-04T14:38:04.016241Z",
"structure_string": "V6 O5 F19\n1.0\n5.535916 -0.080368 -0.009576\n-0.073350 5.531808 -0.002645\n-2.740584 0.035528 12.268563\nV O F\n6 5 19\ndirect\n0.015852 0.063605 0.000647 V\n0.226429 0.456516 0.332936 V\n0.343117 0.061896 0.666109 V\n0.465631 0.568827 0.000317 V\n0.726900 0.955860 0.333661 V\n0.814749 0.533173 0.666150 V\n0.921563 0.746488 0.334401 O\n0.555451 0.276542 0.664936 O\n0.270462 0.783853 -0.000144 O\n0.218382 0.284444 0.001100 O\n0.423454 0.250088 0.332088 O\n0.587080 0.773411 0.664898 F\n0.931448 0.982197 0.861625 F\n0.764035 0.484078 0.525015 F\n0.593714 0.991384 0.193494 F\n0.896761 0.483553 0.807357 F\n0.722812 0.987932 0.473014 F\n0.559789 0.487572 0.138932 F\n0.427486 0.733940 0.330928 F\n0.232307 0.490391 0.473209 F\n0.421825 0.482984 0.862176 F\n0.255083 0.984038 0.527251 F\n0.081740 0.485832 0.193666 F\n0.402767 0.983954 0.804993 F\n0.933406 0.230515 0.335836 F\n0.070017 0.979442 0.139359 F\n0.067944 0.754858 0.667734 F\n0.077476 0.250709 0.667618 F\n0.741130 0.222246 0.000981 F\n0.751208 0.729680 0.999715 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.30177471002744,
"density_atomic": 0.07989553305308122,
"volume": 375.4903291034871,
"volume_molar": 7.537518719599747,
"formula_full": "V6 O5 F19",
"formula_reduced": "V6O5F19",
"formula_anonymous": "A5B6C19",
"energy_above_hull": 1.4262906022500004,
"spacegroup": 1
},
{
"id": "jvasp-116792",
"created_at": "2022-09-04T14:38:44.801794Z",
"updated_at": "2022-09-04T14:38:44.801811Z",
"structure_string": "K8 Co4 O8\n1.0\n6.462618 0.074026 -0.000020\n-3.117953 6.061410 -0.000002\n-0.000038 -0.000009 9.527650\nK Co O\n8 4 8\ndirect\n0.743677 0.357575 0.235801 K\n0.256322 0.142419 0.735800 K\n0.743671 0.857576 0.264203 K\n0.256331 0.642428 0.764201 K\n0.213324 0.394932 0.412114 K\n0.786677 0.105070 0.912113 K\n0.786683 0.605123 0.587882 K\n0.213320 0.894879 0.087884 K\n0.695881 0.591355 0.932578 Co\n0.304118 0.908647 0.432577 Co\n0.695890 0.091409 0.567422 Co\n0.304112 0.408592 0.067422 Co\n0.492223 0.199207 0.482220 O\n0.492220 0.699156 0.017782 O\n0.507779 0.300794 0.982219 O\n0.507783 0.800847 0.517783 O\n0.952603 0.776982 0.850415 O\n0.047391 0.723014 0.350414 O\n0.047380 0.222991 0.149585 O\n0.952624 0.277013 0.649586 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Co",
"O"
],
"chemical_system": "Co-K-O",
"density": 2.992311359876349,
"density_atomic": 0.05327342846178602,
"volume": 375.4216797656708,
"volume_molar": 11.304210999522565,
"formula_full": "K8 Co4 O8",
"formula_reduced": "K2CoO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.0661027800000005,
"spacegroup": 14
},
{
"id": "jvasp-58293",
"created_at": "2022-09-04T14:37:37.297641Z",
"updated_at": "2022-09-04T14:37:37.297668Z",
"structure_string": "Er8 Sb6\n1.0\n7.421089 0.000000 -2.623751\n-3.710545 6.426852 -2.623751\n-0.000000 -0.000000 7.871254\nEr Sb\n8 6\ndirect\n0.146237 0.146237 0.146237 Er\n0.853763 0.500000 0.000000 Er\n-0.000001 0.853763 0.500000 Er\n0.500000 -0.000000 0.853763 Er\n-0.000000 0.353763 0.500000 Er\n0.500000 -0.000000 0.353763 Er\n0.353763 0.500000 -0.000000 Er\n0.646237 0.646237 0.646237 Er\n0.249999 0.625000 0.375000 Sb\n0.375000 0.250000 0.625000 Sb\n0.124999 0.750000 0.874999 Sb\n0.875000 0.125000 0.750000 Sb\n0.625000 0.375000 0.250000 Sb\n0.749999 0.875000 0.125000 Sb\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Er",
"Sb"
],
"chemical_system": "Er-Sb",
"density": 9.150028990203092,
"density_atomic": 0.03729221416790246,
"volume": 375.41348274380147,
"volume_molar": 16.1485202591786,
"formula_full": "Er8 Sb6",
"formula_reduced": "Er4Sb3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.5404183285714286,
"spacegroup": 220
},
{
"id": "jvasp-12541",
"created_at": "2022-09-04T14:38:34.939180Z",
"updated_at": "2022-09-04T14:38:34.939194Z",
"structure_string": "Sb1 I3 Cl8\n1.0\n7.067991 0.232158 -0.211019\n-1.168214 6.915764 0.413357\n-0.728862 -0.294095 7.643235\nSb I Cl\n1 3 8\ndirect\n0.000000 0.500000 0.500001 Sb\n0.000000 0.000000 0.000000 I\n0.655767 0.769236 0.823311 I\n0.344234 0.230764 0.176690 I\n0.718928 0.289089 0.569050 Cl\n0.281073 0.710912 0.430951 Cl\n0.497428 0.753149 0.081922 Cl\n0.502573 0.246852 0.918079 Cl\n0.824562 0.785281 0.503893 Cl\n0.175439 0.214720 0.496108 Cl\n0.889082 0.463847 0.195259 Cl\n0.110919 0.536154 0.804742 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"I",
"Cl"
],
"chemical_system": "Cl-I-Sb",
"density": 3.47784562116753,
"density_atomic": 0.03197172606808358,
"volume": 375.33162815314,
"volume_molar": 18.835832470151566,
"formula_full": "Sb1 I3 Cl8",
"formula_reduced": "SbI3Cl8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.1136681220833333,
"spacegroup": 2
},
{
"id": "jvasp-91311",
"created_at": "2022-09-04T14:36:17.163545Z",
"updated_at": "2022-09-04T14:36:17.163573Z",
"structure_string": "Tb8 Co2 B26\n1.0\n7.331439 0.000000 -0.000000\n0.000000 7.331439 0.000000\n-0.000000 -0.000000 6.982822\nTb Co B\n8 2 26\ndirect\n0.818843 0.316247 0.500000 Tb\n0.816247 0.318843 0.000000 Tb\n0.316247 0.181157 0.500000 Tb\n0.683753 0.818843 0.500000 Tb\n0.181157 0.683753 0.500000 Tb\n0.318843 0.183753 0.000000 Tb\n0.183753 0.681157 0.000000 Tb\n0.681157 0.816247 0.000000 Tb\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.091468 0.408532 0.750000 B\n0.960596 0.830508 0.254508 B\n0.460596 0.669492 0.245492 B\n0.539404 0.330508 0.245492 B\n0.169492 0.960596 0.254508 B\n0.830508 0.039404 0.254508 B\n0.039404 0.169492 0.254508 B\n0.408532 0.908532 0.750000 B\n0.669492 0.539404 0.754508 B\n0.591468 0.091468 0.250000 B\n0.330508 0.460596 0.754508 B\n0.039404 0.169492 0.745491 B\n0.539404 0.330508 0.754508 B\n0.460596 0.669492 0.754508 B\n0.830508 0.039404 0.745491 B\n0.169492 0.960596 0.745491 B\n0.591468 0.091468 0.750000 B\n0.960596 0.830508 0.745491 B\n0.669492 0.539404 0.245492 B\n0.000000 0.000000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.408532 0.908532 0.250000 B\n0.091468 0.408532 0.250000 B\n0.908532 0.591468 0.250000 B\n0.330508 0.460596 0.245492 B\n0.908532 0.591468 0.750000 B\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tb",
"Co",
"B"
],
"chemical_system": "B-Co-Tb",
"density": 7.390069212752034,
"density_atomic": 0.09591644597851863,
"volume": 375.32666721265434,
"volume_molar": 6.278527835934114,
"formula_full": "Tb8 Co2 B26",
"formula_reduced": "Tb4CoB13",
"formula_anonymous": "AB4C13",
"energy_above_hull": 4.667020449074075,
"spacegroup": 128
},
{
"id": "jvasp-33829",
"created_at": "2022-09-04T14:38:01.348980Z",
"updated_at": "2022-09-04T14:38:01.349001Z",
"structure_string": "Er2 I6\n1.0\n10.467933 0.000000 -0.000000\n-5.233967 9.065497 0.000000\n0.000000 0.000000 3.954494\nEr I\n2 6\ndirect\n0.333333 0.666667 0.749998 Er\n0.666667 0.333335 0.249999 Er\n0.207118 0.414235 0.249999 I\n0.585764 0.792882 0.249999 I\n0.207117 0.792882 0.249999 I\n0.792881 0.585764 0.749998 I\n0.414235 0.207118 0.749998 I\n0.792882 0.207118 0.749998 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"I"
],
"chemical_system": "Er-I",
"density": 4.849470390869719,
"density_atomic": 0.021318002718685794,
"volume": 375.26967725676235,
"volume_molar": 28.24908524249992,
"formula_full": "Er2 I6",
"formula_reduced": "ErI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-98994",
"created_at": "2022-09-04T14:36:03.946821Z",
"updated_at": "2022-09-04T14:36:03.946849Z",
"structure_string": "Nd4 Ge10 Rh6\n1.0\n5.729594 -0.041971 -2.126137\n-3.305182 7.790616 -0.275753\n-0.117865 0.056494 8.466221\nNd Ge Rh\n4 10 6\ndirect\n0.731625 0.598289 0.864868 Nd\n0.268375 0.401711 0.135132 Nd\n0.231626 0.864868 0.598289 Nd\n0.768375 0.135132 0.401711 Nd\n0.250000 0.223532 0.776468 Ge\n0.750000 0.776468 0.223532 Ge\n0.250000 0.499965 0.500036 Ge\n0.660184 0.258985 0.061560 Ge\n0.839817 0.938440 0.741015 Ge\n0.339817 0.741015 0.938440 Ge\n0.160184 0.061560 0.258985 Ge\n0.750000 0.500036 0.499965 Ge\n0.250001 0.776517 0.223483 Ge\n0.750000 0.223483 0.776517 Ge\n0.750000 0.000052 0.999947 Rh\n0.106563 0.466117 0.747135 Rh\n0.606563 0.747135 0.466117 Rh\n0.893437 0.533883 0.252865 Rh\n0.250001 0.999948 0.000053 Rh\n0.393438 0.252865 0.533883 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Rh"
],
"chemical_system": "Ge-Nd-Rh",
"density": 8.499491371928947,
"density_atomic": 0.0532956130779296,
"volume": 375.2654082570683,
"volume_molar": 11.29950555441466,
"formula_full": "Nd4 Ge10 Rh6",
"formula_reduced": "Nd2Ge5Rh3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 1.833365175,
"spacegroup": 72
},
{
"id": "jvasp-29198",
"created_at": "2022-09-04T14:37:31.445579Z",
"updated_at": "2022-09-04T14:37:31.445607Z",
"structure_string": "Te4 Mo4 Se4\n1.0\n3.444291 -0.000000 -0.000000\n-1.722146 2.982849 0.000539\n-0.000000 0.006766 36.526088\nTe Mo Se\n4 4 4\ndirect\n0.333347 0.666695 0.327285 Te\n0.666653 0.333306 0.424173 Te\n0.666421 0.332844 0.525990 Te\n0.333578 0.667157 0.225468 Te\n0.333461 0.666922 0.088747 Mo\n0.333202 0.666407 0.475092 Mo\n0.666797 0.333594 0.276366 Mo\n0.666538 0.333079 0.662711 Mo\n0.333090 0.666184 0.707431 Se\n0.666909 0.333817 0.044027 Se\n0.666685 0.333369 0.133556 Se\n0.333315 0.666632 0.617902 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Te",
"density": 5.354269359465839,
"density_atomic": 0.03197768306856318,
"volume": 375.26170905724666,
"volume_molar": 18.832323614840888,
"formula_full": "Te4 Mo4 Se4",
"formula_reduced": "TeMoSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3176990111111118,
"spacegroup": 164
},
{
"id": "jvasp-32393",
"created_at": "2022-09-04T14:37:53.093506Z",
"updated_at": "2022-09-04T14:37:53.093516Z",
"structure_string": "Ru2 C8 O8 F12\n1.0\n5.221149 0.032605 0.675638\n0.479267 8.743712 0.750646\n0.408832 -0.374453 8.245902\nRu C O F\n2 8 8 12\ndirect\n0.322336 0.536095 0.440133 Ru\n0.677664 0.463905 0.559868 Ru\n0.978068 0.702620 0.098762 C\n0.021932 0.297380 0.901238 C\n0.799906 0.624392 0.241867 C\n0.200095 0.375608 0.758134 C\n0.537419 0.233415 0.361101 C\n0.462582 0.766585 0.638899 C\n0.458514 0.923994 0.715854 C\n0.541487 0.076005 0.284147 C\n0.561031 0.629280 0.241128 O\n0.291021 0.743971 0.554382 O\n0.708979 0.256028 0.445619 O\n0.088760 0.437133 0.643287 O\n0.357141 0.328232 0.331054 O\n0.911240 0.562867 0.356713 O\n0.438970 0.370719 0.758872 O\n0.642859 0.671767 0.668946 O\n0.846917 0.760627 -0.017502 F\n0.153084 0.239372 0.017503 F\n0.645617 0.084114 0.121966 F\n0.314372 0.031720 0.642918 F\n0.170702 0.602061 0.027142 F\n0.829298 0.397939 0.972858 F\n0.090485 0.815625 0.159808 F\n0.299658 0.029989 0.298732 F\n0.700343 0.970011 0.701269 F\n0.685628 0.968279 0.357083 F\n0.354383 0.915886 0.878035 F\n0.909515 0.184375 0.840193 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ru",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Ru",
"density": 2.894896623182805,
"density_atomic": 0.07994542018780812,
"volume": 375.256017537013,
"volume_molar": 7.532815195483069,
"formula_full": "Ru2 C8 O8 F12",
"formula_reduced": "RuC4(O2F3)2",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 3.009001079666666,
"spacegroup": 2
},
{
"id": "jvasp-21137",
"created_at": "2022-09-04T14:37:30.312115Z",
"updated_at": "2022-09-04T14:37:30.312138Z",
"structure_string": "Ca4 Ti4 Si4 O20\n1.0\n0.000000 6.601762 -0.018750\n8.769483 0.000000 0.000000\n0.000000 -2.873795 -6.473185\nCa Ti Si O\n4 4 4 20\ndirect\n0.249997 0.920295 0.749911 Ca\n0.249996 0.579705 0.249911 Ca\n0.750004 0.420295 0.750088 Ca\n0.750003 0.079705 0.250088 Ca\n0.250006 0.250043 0.499903 Ti\n0.749994 0.749956 0.500096 Ti\n0.250006 0.249956 0.999903 Ti\n0.749994 0.750043 0.000096 Ti\n0.750009 0.431130 0.250011 Si\n0.249991 0.931129 0.249988 Si\n0.750009 0.068870 0.750011 Si\n0.249991 0.568870 0.749988 Si\n0.065063 0.685471 0.587946 O\n0.434917 0.814525 0.412032 O\n0.565083 0.314525 0.087968 O\n0.250000 0.179229 0.749983 O\n0.750000 0.679229 0.750016 O\n0.750000 0.820771 0.250016 O\n0.250000 0.320771 0.249983 O\n0.934937 0.185472 0.912053 O\n0.065063 0.814528 0.087946 O\n0.147241 0.037726 0.382895 O\n0.352749 0.462286 0.617075 O\n0.647251 0.962286 0.882924 O\n0.647251 0.537714 0.382925 O\n0.352749 0.037714 0.117075 O\n0.434917 0.685474 0.912032 O\n0.852758 0.537726 0.117104 O\n0.852759 0.962274 0.617104 O\n0.147242 0.462274 0.882895 O\n0.934937 0.314528 0.412053 O\n0.565083 0.185475 0.587967 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Ti",
"density": 3.4699799211900078,
"density_atomic": 0.08528071837676404,
"volume": 375.2313607236083,
"volume_molar": 7.061550224512202,
"formula_full": "Ca4 Ti4 Si4 O20",
"formula_reduced": "CaTiSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.296819356666666,
"spacegroup": 15
}
]
}