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=166",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=164",
"results": [
{
"id": "jvasp-112315",
"created_at": "2022-09-04T14:38:26.393410Z",
"updated_at": "2022-09-04T14:38:26.393436Z",
"structure_string": "Fe8 O12\n1.0\n5.003533 -0.000000 0.000000\n0.000000 5.101607 0.000000\n-0.000000 -0.000000 7.445311\nFe O\n8 12\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.998761 0.530799 0.750000 Fe\n0.498761 0.969202 0.250000 Fe\n0.001238 0.469202 0.250000 Fe\n0.501238 0.030799 0.750000 Fe\n0.132527 0.918860 0.750000 O\n0.632527 0.581141 0.250000 O\n0.330294 0.181569 0.430118 O\n0.830293 0.318431 0.930118 O\n0.669706 0.818432 0.569882 O\n0.669706 0.818432 0.930118 O\n0.330294 0.181569 0.069882 O\n0.830293 0.318431 0.569882 O\n0.367473 0.418859 0.750000 O\n0.169706 0.681569 0.430118 O\n0.169706 0.681569 0.069882 O\n0.867472 0.081141 0.250000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.5810421507709975,
"density_atomic": 0.10523577017917081,
"volume": 190.04944769206028,
"volume_molar": 5.722522626809221,
"formula_full": "Fe8 O12",
"formula_reduced": "Fe2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.7363043,
"spacegroup": 62
},
{
"id": "jvasp-106288",
"created_at": "2022-09-04T14:38:17.372500Z",
"updated_at": "2022-09-04T14:38:17.372522Z",
"structure_string": "Tb4 Cl6\n1.0\n6.897742 -0.039644 3.619681\n5.848607 3.657075 3.619681\n-0.176031 -0.049958 10.087814\nTb Cl\n4 6\ndirect\n0.911204 0.911207 0.447284 Tb\n0.088795 0.088795 0.552716 Tb\n0.637864 0.637866 0.206563 Tb\n0.362135 0.362136 0.793436 Tb\n0.842602 0.842605 0.012294 Cl\n0.157397 0.157397 0.987705 Cl\n0.729815 0.729818 0.382170 Cl\n0.270184 0.270184 0.617829 Cl\n0.451607 0.451609 0.230125 Cl\n0.548392 0.548393 0.769874 Cl\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tb",
"Cl"
],
"chemical_system": "Cl-Tb",
"density": 5.432068069312723,
"density_atomic": 0.038557202419708295,
"volume": 259.3549161359424,
"volume_molar": 15.618718117686404,
"formula_full": "Tb4 Cl6",
"formula_reduced": "Tb2Cl3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.499646,
"spacegroup": 12
},
{
"id": "jvasp-109516",
"created_at": "2022-09-04T14:38:27.270324Z",
"updated_at": "2022-09-04T14:38:27.270362Z",
"structure_string": "Co4 S6\n1.0\n5.016251 -0.002257 3.300630\n1.778111 4.690533 3.300630\n-0.003271 -0.002257 6.004742\nCo S\n4 6\ndirect\n0.850405 0.850403 0.850405 Co\n0.649596 0.649594 0.649596 Co\n0.350405 0.350404 0.350405 Co\n0.149596 0.149595 0.149595 Co\n0.554705 0.945294 0.250000 S\n0.945295 0.249999 0.554705 S\n0.250000 0.554704 0.945295 S\n0.750000 0.445294 0.054705 S\n0.054705 0.749999 0.445295 S\n0.445295 0.054704 0.750000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Co",
"S"
],
"chemical_system": "Co-S",
"density": 5.028260497340819,
"density_atomic": 0.0707294587393795,
"volume": 141.38380496940488,
"volume_molar": 8.514331747101439,
"formula_full": "Co4 S6",
"formula_reduced": "Co2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.5086723600000003,
"spacegroup": 167
},
{
"id": "jvasp-30882",
"created_at": "2022-09-04T14:38:28.921425Z",
"updated_at": "2022-09-04T14:38:28.921444Z",
"structure_string": "Zr6 Ga4\n1.0\n7.323842 -0.000000 -0.000000\n0.000000 7.323842 0.000000\n-0.000000 0.000000 3.723729\nZr Ga\n6 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.676566 0.176566 0.500000 Zr\n0.176566 0.323434 0.500000 Zr\n0.823434 0.676566 0.500000 Zr\n0.323434 0.823434 0.500000 Zr\n0.876445 0.376445 0.000000 Ga\n0.376445 0.123555 0.000000 Ga\n0.623555 0.876445 0.000000 Ga\n0.123555 0.623555 0.000000 Ga\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"Ga"
],
"chemical_system": "Ga-Zr",
"density": 6.869058437881033,
"density_atomic": 0.050066127372664276,
"volume": 199.73583987364526,
"volume_molar": 12.028373425359124,
"formula_full": "Zr6 Ga4",
"formula_reduced": "Zr3Ga2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.46131963,
"spacegroup": 127
},
{
"id": "jvasp-112312",
"created_at": "2022-09-04T14:38:26.964131Z",
"updated_at": "2022-09-04T14:38:26.964155Z",
"structure_string": "Tb8 S12\n1.0\n3.902033 -0.000000 0.000000\n0.000000 7.318159 0.000000\n-0.000000 -0.000000 15.228795\nTb S\n8 12\ndirect\n0.250000 0.766415 0.457037 Tb\n0.250000 0.266415 0.042963 Tb\n0.749999 0.233585 0.542963 Tb\n0.749999 0.733585 0.957037 Tb\n0.250000 0.140703 0.795706 Tb\n0.250000 0.640703 0.704294 Tb\n0.749999 0.859297 0.204294 Tb\n0.749999 0.359297 0.295706 Tb\n0.250000 0.876308 0.067421 S\n0.250000 0.376308 0.432579 S\n0.749999 0.349997 0.718417 S\n0.749999 0.849997 0.781583 S\n0.250000 0.650003 0.281583 S\n0.250000 0.508726 0.891713 S\n0.749999 0.491274 0.108286 S\n0.749999 0.991274 0.391713 S\n0.749999 0.623692 0.567420 S\n0.250000 0.008726 0.608286 S\n0.250000 0.150003 0.218417 S\n0.749999 0.123692 0.932579 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tb",
"S"
],
"chemical_system": "S-Tb",
"density": 6.324104650116453,
"density_atomic": 0.04599087539990522,
"volume": 434.8688696636815,
"volume_molar": 13.09420772628392,
"formula_full": "Tb8 S12",
"formula_reduced": "Tb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.36845536,
"spacegroup": 62
},
{
"id": "jvasp-18987",
"created_at": "2022-09-04T14:37:02.020010Z",
"updated_at": "2022-09-04T14:37:02.020036Z",
"structure_string": "Sb8 O12\n1.0\n6.843485 -0.000000 3.951088\n2.281162 6.452099 3.951088\n-0.000000 -0.000000 7.902175\nSb O\n8 12\ndirect\n0.274880 0.741707 0.741708 Sb\n0.258293 0.725119 0.258294 Sb\n0.258293 0.258293 0.725120 Sb\n0.741706 0.274881 0.741708 Sb\n0.741706 0.741707 0.274882 Sb\n0.741706 0.741707 0.741708 Sb\n0.725119 0.258293 0.258294 Sb\n0.258293 0.258293 0.258294 Sb\n0.185427 0.564573 0.564574 O\n0.564573 0.564573 0.185428 O\n0.814572 0.435427 0.435428 O\n0.185427 0.564573 0.185427 O\n0.564573 0.185427 0.564574 O\n0.814572 0.435427 0.814574 O\n0.814572 0.814573 0.435428 O\n0.435427 0.435427 0.814574 O\n0.435426 0.814573 0.435428 O\n0.564573 0.185427 0.185427 O\n0.435426 0.814573 0.814574 O\n0.185427 0.185427 0.564574 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.549447882283897,
"density_atomic": 0.05731984538005968,
"volume": 348.9192943105454,
"volume_molar": 10.506205521089859,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.93835654,
"spacegroup": 227
},
{
"id": "jvasp-10153",
"created_at": "2022-09-04T14:37:07.000842Z",
"updated_at": "2022-09-04T14:37:07.000862Z",
"structure_string": "K4 S6\n1.0\n6.171129 -0.024165 0.000000\n-1.848115 5.887945 0.000000\n-0.000000 -0.000000 7.344350\nK S\n4 6\ndirect\n0.423030 0.576970 0.659727 K\n0.576971 0.423030 0.159727 K\n0.894673 0.105328 0.386484 K\n0.105328 0.894672 0.886484 K\n0.389011 0.072906 0.502293 S\n0.610990 0.927094 0.002293 S\n0.927095 0.610990 0.502293 S\n0.072906 0.389010 0.002293 S\n0.795647 0.204354 0.839904 S\n0.204354 0.795646 0.339904 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"K",
"S"
],
"chemical_system": "K-S",
"density": 2.1729865616333157,
"density_atomic": 0.037519097675193354,
"volume": 266.5309301031442,
"volume_molar": 16.050867779748557,
"formula_full": "K4 S6",
"formula_reduced": "K2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.8646879999999998,
"spacegroup": 36
},
{
"id": "jvasp-14279",
"created_at": "2022-09-04T14:36:53.598049Z",
"updated_at": "2022-09-04T14:36:53.598065Z",
"structure_string": "Mn3 N2\n1.0\n2.782694 -0.000000 -0.648226\n-0.151004 2.778594 -0.648226\n0.000610 0.000645 6.299483\nMn N\n3 2\ndirect\n0.668774 0.668773 0.337547 Mn\n0.331226 0.331227 0.662452 Mn\n0.000000 0.000000 0.000000 Mn\n0.840275 0.840275 0.680551 N\n0.159725 0.159725 0.319448 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 6.573580122542257,
"density_atomic": 0.1026487861517494,
"volume": 48.70978203880872,
"volume_molar": 5.866743276532518,
"formula_full": "Mn3 N2",
"formula_reduced": "Mn3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.853731644827585,
"spacegroup": 139
},
{
"id": "jvasp-10703",
"created_at": "2022-09-04T14:37:06.650491Z",
"updated_at": "2022-09-04T14:37:06.650506Z",
"structure_string": "Cd6 As4\n1.0\n6.454355 0.000000 -0.000000\n0.000000 6.454355 0.000000\n0.000000 -0.000000 6.454355\nCd As\n6 4\ndirect\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.250000 0.750001 0.750001 As\n0.750001 0.750001 0.250000 As\n0.750001 0.250000 0.750001 As\n0.250000 0.250000 0.250000 As\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cd",
"As"
],
"chemical_system": "As-Cd",
"density": 6.01613338341427,
"density_atomic": 0.03719130813451376,
"volume": 268.88002873768073,
"volume_molar": 16.192333806111588,
"formula_full": "Cd6 As4",
"formula_reduced": "Cd3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 224
},
{
"id": "jvasp-42479",
"created_at": "2022-09-04T14:36:52.772472Z",
"updated_at": "2022-09-04T14:36:52.772491Z",
"structure_string": "Cr4 S6\n1.0\n3.293457 -4.857257 -0.000000\n1.935061 4.857256 -2.665033\n1.961308 4.875053 3.847884\nCr S\n4 6\ndirect\n0.323534 0.676467 0.970600 Cr\n0.500001 0.500000 0.500002 Cr\n-0.000002 0.000002 -0.000005 Cr\n0.676471 0.323530 0.029411 Cr\n0.092917 0.596412 0.242247 S\n0.596415 0.745747 0.757750 S\n0.403589 0.254258 0.242247 S\n0.907085 0.403586 0.757750 S\n0.254254 0.092916 0.757750 S\n0.745742 0.907083 0.242248 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 4.0074667110946445,
"density_atomic": 0.060277401935703766,
"volume": 165.8996519237296,
"volume_molar": 9.990710559197046,
"formula_full": "Cr4 S6",
"formula_reduced": "Cr2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.114368960000001,
"spacegroup": 148
},
{
"id": "jvasp-34449",
"created_at": "2022-09-04T14:37:07.555716Z",
"updated_at": "2022-09-04T14:37:07.555728Z",
"structure_string": "Pr6 O9\n1.0\n3.745361 0.000000 0.000000\n-1.872680 7.173914 -1.259618\n0.000000 0.023594 9.124884\nPr O\n6 9\ndirect\n0.965693 0.931386 0.188984 Pr\n0.034307 0.068613 0.811015 Pr\n0.310087 0.620174 0.861922 Pr\n0.634713 0.269424 0.489494 Pr\n0.365287 0.730574 0.510505 Pr\n0.689912 0.379825 0.138077 Pr\n0.129799 0.259597 0.287259 O\n0.175408 0.350815 0.974023 O\n0.474637 0.949276 0.344606 O\n0.799276 0.598551 0.370996 O\n0.870200 0.740401 0.712741 O\n0.500000 0.000000 0.000000 O\n0.525362 0.050723 0.655393 O\n0.824591 0.649184 0.025976 O\n0.200724 0.401447 0.629003 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Pr",
"O"
],
"chemical_system": "O-Pr",
"density": 6.698297813681534,
"density_atomic": 0.06115288231126142,
"volume": 245.28688482174326,
"volume_molar": 9.847680979856303,
"formula_full": "Pr6 O9",
"formula_reduced": "Pr2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6347866999999998,
"spacegroup": 12
},
{
"id": "jvasp-10154",
"created_at": "2022-09-04T14:37:07.777721Z",
"updated_at": "2022-09-04T14:37:07.777740Z",
"structure_string": "K4 Se6\n1.0\n6.464735 -0.025388 -0.000000\n-1.921681 6.172568 0.000000\n0.000000 0.000000 7.566236\nK Se\n4 6\ndirect\n0.098762 0.901238 0.871558 K\n0.901239 0.098762 0.371557 K\n0.584993 0.415008 0.151260 K\n0.415008 0.584992 0.651261 K\n0.788933 0.211068 0.812090 Se\n0.211068 0.788932 0.312090 Se\n0.090068 0.405561 0.001446 Se\n0.909933 0.594439 0.501446 Se\n0.594440 0.909932 0.001446 Se\n0.405561 0.090068 0.501446 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 3.4700046278031995,
"density_atomic": 0.03316154914980006,
"volume": 301.55406657352415,
"volume_molar": 18.160010356561735,
"formula_full": "K4 Se6",
"formula_reduced": "K2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.6438913466666665,
"spacegroup": 36
}
]
}