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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4536",
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"results": [
{
"id": "jvasp-97801",
"created_at": "2022-09-04T14:35:46.104116Z",
"updated_at": "2022-09-04T14:35:46.104138Z",
"structure_string": "Yb4 In2 Cu4\n1.0\n3.717943 -0.000000 0.000000\n0.000000 7.429306 0.000000\n-0.000000 -0.000000 7.429306\nYb In Cu\n4 2 4\ndirect\n0.500000 0.177105 0.677106 Yb\n0.500000 0.322895 0.177105 Yb\n0.500000 0.677106 0.822895 Yb\n0.500000 0.822895 0.322895 Yb\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.381983 0.881984 Cu\n0.000000 0.118017 0.381983 Cu\n0.000000 0.881984 0.618017 Cu\n0.000000 0.618017 0.118017 Cu\n",
"nsites": 10,
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"elements": [
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"In",
"Cu"
],
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"density": 9.515898757665687,
"density_atomic": 0.04873049014130823,
"volume": 205.2103307601071,
"volume_molar": 12.358054972435228,
"formula_full": "Yb4 In2 Cu4",
"formula_reduced": "Yb2InCu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-97802",
"created_at": "2022-09-04T14:35:50.081590Z",
"updated_at": "2022-09-04T14:35:50.081626Z",
"structure_string": "Y4 Pd4 Pb2\n1.0\n3.648443 0.000000 -0.000000\n0.000000 7.868507 0.000000\n-0.000000 0.000000 7.868507\nY Pd Pb\n4 4 2\ndirect\n0.500000 0.171952 0.671952 Y\n0.500000 0.328048 0.171952 Y\n0.500000 0.671952 0.828049 Y\n0.500000 0.828049 0.328048 Y\n0.000000 0.374742 0.874742 Pd\n0.000000 0.125258 0.374742 Pd\n0.000000 0.874742 0.625258 Pd\n0.000000 0.625258 0.125258 Pd\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Y",
"density": 8.789826950415101,
"density_atomic": 0.04426982073458518,
"volume": 225.88751962547795,
"volume_molar": 13.603264391118907,
"formula_full": "Y4 Pd4 Pb2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 1.821746624,
"spacegroup": 127
},
{
"id": "jvasp-97804",
"created_at": "2022-09-04T14:38:08.186446Z",
"updated_at": "2022-09-04T14:38:08.186473Z",
"structure_string": "Ti12 Mn12 Si24\n1.0\n7.695616 0.000000 0.000000\n0.000000 8.684696 -0.000000\n0.000000 0.000000 9.495653\nTi Mn Si\n12 12 24\ndirect\n0.239634 0.828146 0.453141 Ti\n0.239634 0.171855 0.546859 Ti\n0.760366 0.328146 0.046859 Ti\n0.760366 0.671855 0.953140 Ti\n0.760366 0.171855 0.546859 Ti\n0.760366 0.828146 0.453141 Ti\n0.239634 0.671855 0.953140 Ti\n0.239634 0.328146 0.046859 Ti\n0.000000 0.331107 0.320638 Ti\n0.000000 0.668893 0.679362 Ti\n0.000000 0.831107 0.179362 Ti\n0.000000 0.168893 0.820638 Ti\n0.243692 0.500000 0.500000 Mn\n0.248167 0.584415 0.246861 Mn\n0.248167 0.415586 0.753139 Mn\n0.751833 0.084415 0.253139 Mn\n0.751833 0.915586 0.746861 Mn\n0.751833 0.415586 0.753139 Mn\n0.751833 0.584415 0.246861 Mn\n0.248167 0.915586 0.746861 Mn\n0.243692 0.000000 0.000000 Mn\n0.756309 0.500000 0.500000 Mn\n0.248167 0.084415 0.253139 Mn\n0.756309 0.000000 0.000000 Mn\n0.500000 0.037001 0.377065 Si\n0.654969 0.331777 0.317725 Si\n0.000000 0.462269 0.879224 Si\n0.000000 0.537731 0.120776 Si\n0.000000 0.962270 0.620776 Si\n0.000000 0.037731 0.379224 Si\n0.000000 0.370433 0.602715 Si\n0.000000 0.629567 0.397285 Si\n0.000000 0.870434 0.897285 Si\n0.500000 0.374357 0.595715 Si\n0.500000 0.625644 0.404285 Si\n0.345031 0.168223 0.817724 Si\n0.500000 0.874357 0.904285 Si\n0.500000 0.462999 0.877065 Si\n0.500000 0.537001 0.122935 Si\n0.500000 0.962999 0.622935 Si\n0.000000 0.129567 0.102715 Si\n0.345031 0.331777 0.317725 Si\n0.654969 0.831778 0.182275 Si\n0.345031 0.831778 0.182275 Si\n0.654969 0.168223 0.817724 Si\n0.654969 0.668223 0.682275 Si\n0.500000 0.125643 0.095715 Si\n0.345031 0.668223 0.682275 Si\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ti",
"density": 4.991593221353005,
"density_atomic": 0.07563423031699588,
"volume": 634.6332844113552,
"volume_molar": 7.962189520221448,
"formula_full": "Ti12 Mn12 Si24",
"formula_reduced": "TiMnSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4386831936781608,
"spacegroup": 55
},
{
"id": "jvasp-97809",
"created_at": "2022-09-04T14:37:41.312200Z",
"updated_at": "2022-09-04T14:37:41.312211Z",
"structure_string": "Zn6 B14 Cl2 O26\n1.0\n7.441320 -0.004019 4.310332\n2.482598 7.014981 4.310332\n-0.005689 -0.004019 8.599545\nZn B Cl O\n6 14 2 26\ndirect\n0.471649 0.472979 0.034311 Zn\n0.472980 0.034311 0.471648 Zn\n0.972980 0.971648 0.534310 Zn\n0.534311 0.972979 0.971648 Zn\n0.971649 0.534311 0.972979 Zn\n0.034311 0.471648 0.472979 Zn\n0.747423 0.747827 0.253869 B\n0.747828 0.253869 0.747422 B\n0.253870 0.747423 0.747827 B\n0.753870 0.247827 0.247423 B\n0.573519 0.573586 0.267179 B\n0.247423 0.753869 0.247827 B\n0.073519 0.767179 0.073586 B\n0.073586 0.073519 0.767179 B\n0.602627 0.602626 0.602626 B\n0.102627 0.102627 0.102627 B\n0.573586 0.267179 0.573519 B\n0.267179 0.573519 0.573586 B\n0.247828 0.247423 0.753869 B\n0.767179 0.073586 0.073519 B\n0.266525 0.266525 0.266525 Cl\n0.766525 0.766525 0.766524 Cl\n0.935745 0.701382 0.254445 O\n0.435745 0.754445 0.201382 O\n0.201382 0.435745 0.754445 O\n0.191170 0.610367 0.434500 O\n0.110367 0.691169 0.934500 O\n0.934500 0.110367 0.691169 O\n0.691170 0.934500 0.110367 O\n0.754445 0.201382 0.435744 O\n0.701382 0.254445 0.935744 O\n0.445087 0.605382 0.765306 O\n0.605382 0.765306 0.445087 O\n0.765306 0.445087 0.605381 O\n0.265306 0.105382 0.945087 O\n0.105382 0.945087 0.265306 O\n0.945087 0.265306 0.105381 O\n0.989032 0.989031 0.989030 O\n0.750834 0.598679 0.214575 O\n0.598679 0.214576 0.750834 O\n0.214576 0.750834 0.598678 O\n0.098679 0.250834 0.714575 O\n0.250834 0.714576 0.098679 O\n0.714576 0.098679 0.250834 O\n0.610367 0.434500 0.191169 O\n0.434500 0.191169 0.610367 O\n0.254445 0.935745 0.701382 O\n0.489031 0.489031 0.489031 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Zn",
"B",
"Cl",
"O"
],
"chemical_system": "B-Cl-O-Zn",
"density": 3.8097479302556887,
"density_atomic": 0.10684563385314799,
"volume": 449.24624684217525,
"volume_molar": 5.636300279969344,
"formula_full": "Zn6 B14 Cl2 O26",
"formula_reduced": "Zn3B7ClO13",
"formula_anonymous": "AB3C7D13",
"energy_above_hull": 2.9877007854513886,
"spacegroup": 161
},
{
"id": "jvasp-9781",
"created_at": "2022-09-04T14:37:07.162087Z",
"updated_at": "2022-09-04T14:37:07.162105Z",
"structure_string": "Sr2 Ga1 Sb1 O6\n1.0\n4.825738 -0.000000 -2.785327\n-1.607640 4.550082 -2.785327\n0.040996 0.057964 5.644123\nSr Ga Sb O\n2 1 1 6\ndirect\n0.250000 0.749999 0.499999 Sr\n0.750001 0.249999 0.499999 Sr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000001 Sb\n0.792878 0.708494 -0.000001 O\n0.291505 0.792877 -0.000001 O\n0.708495 0.207122 -0.000000 O\n0.207123 0.291505 -0.000000 O\n0.251661 0.251660 0.503321 O\n0.748340 0.748338 0.496677 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Sb",
"O"
],
"chemical_system": "Ga-O-Sb-Sr",
"density": 6.122952555911735,
"density_atomic": 0.07968821314006902,
"volume": 125.48907305052592,
"volume_molar": 7.557128617521896,
"formula_full": "Sr2 Ga1 Sb1 O6",
"formula_reduced": "Sr2GaSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.4945832045000005,
"spacegroup": 87
},
{
"id": "jvasp-97811",
"created_at": "2022-09-04T14:38:18.147648Z",
"updated_at": "2022-09-04T14:38:18.147668Z",
"structure_string": "V8 Cd4 P8 O36\n1.0\n6.363770 0.000000 0.000000\n-0.000000 7.273818 0.000000\n0.000000 0.000000 14.408958\nV Cd P O\n8 4 8 36\ndirect\n0.000000 0.500000 0.500000 V\n0.500001 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.250000 0.845899 0.619572 V\n0.250000 0.654101 0.119572 V\n0.749999 0.345899 0.880429 V\n0.500001 0.000000 0.000000 V\n0.749999 0.154101 0.380429 V\n0.250000 0.129999 0.220849 Cd\n0.749999 0.870001 0.779151 Cd\n0.749999 0.629998 0.279151 Cd\n0.250000 0.370001 0.720849 Cd\n0.749999 0.634458 0.067963 P\n0.749999 0.865541 0.567963 P\n0.250000 0.134458 0.432037 P\n0.250000 0.365541 0.932037 P\n0.250000 0.883182 0.807501 P\n0.749999 0.116817 0.192499 P\n0.749999 0.383183 0.692499 P\n0.250000 0.616817 0.307501 P\n0.749999 0.491713 0.992720 O\n0.749999 0.957754 0.264916 O\n0.250000 0.508286 0.007280 O\n0.250000 0.991714 0.507280 O\n0.749999 0.008286 0.492720 O\n0.749999 0.542245 0.764916 O\n0.250000 0.457755 0.235084 O\n0.250000 0.042245 0.735084 O\n0.048649 0.612852 0.369164 O\n0.059414 0.123840 0.365523 O\n0.548648 0.387147 0.630836 O\n0.951350 0.112853 0.130836 O\n0.451351 0.887147 0.869164 O\n0.951350 0.387147 0.630836 O\n0.451351 0.612852 0.369164 O\n0.048649 0.887147 0.869164 O\n0.548648 0.112853 0.130836 O\n0.250000 0.328668 0.478337 O\n0.749999 0.671333 0.521663 O\n0.749999 0.828667 0.021663 O\n0.250000 0.171332 0.978337 O\n0.440586 0.376161 0.865523 O\n0.749999 0.131738 0.946768 O\n0.250000 0.631738 0.553232 O\n0.749999 0.368262 0.446768 O\n0.749999 0.208430 0.754835 O\n0.250000 0.791571 0.245165 O\n0.250000 0.708430 0.745165 O\n0.749999 0.291570 0.254835 O\n0.440586 0.123840 0.365523 O\n0.940585 0.876161 0.634478 O\n0.559415 0.623840 0.134477 O\n0.059414 0.376161 0.865523 O\n0.559415 0.876161 0.634478 O\n0.250000 0.868263 0.053232 O\n0.940585 0.623840 0.134477 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"V",
"Cd",
"P",
"O"
],
"chemical_system": "Cd-O-P-V",
"density": 4.184976178570542,
"density_atomic": 0.08396118246757724,
"volume": 666.9748847525482,
"volume_molar": 7.172529713151112,
"formula_full": "V8 Cd4 P8 O36",
"formula_reduced": "V2CdP2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 2.881858617857143,
"spacegroup": 62
},
{
"id": "jvasp-97812",
"created_at": "2022-09-04T14:35:51.952653Z",
"updated_at": "2022-09-04T14:35:51.952674Z",
"structure_string": "Sb8 S12 O48\n1.0\n4.748635 0.000000 0.000000\n0.000000 12.822982 -2.465643\n0.000000 0.035462 14.465743\nSb S O\n8 12 48\ndirect\n0.412412 0.924813 0.283625 Sb\n0.310036 0.826678 0.933100 Sb\n0.810036 0.673322 0.566900 Sb\n0.689965 0.173322 0.066900 Sb\n0.912412 0.575187 0.216375 Sb\n0.087589 0.424813 0.783625 Sb\n0.587589 0.075187 0.716375 Sb\n0.189965 0.326678 0.433100 Sb\n0.863461 0.942164 0.108713 S\n0.363461 0.557836 0.391288 S\n0.636540 0.442164 0.608712 S\n0.825149 0.651246 0.821957 S\n0.325149 0.848754 0.678043 S\n0.136540 0.057836 0.891287 S\n0.674852 0.151246 0.321957 S\n0.558372 0.335903 0.895318 S\n0.058371 0.164097 0.604682 S\n0.441629 0.664097 0.104682 S\n0.941630 0.835903 0.395318 S\n0.174852 0.348754 0.178043 S\n0.400142 0.436614 0.900016 O\n0.547227 0.136399 0.227869 O\n0.047226 0.363600 0.272131 O\n0.452774 0.863600 0.772131 O\n0.952775 0.636399 0.727869 O\n0.569596 0.063311 0.369528 O\n0.930405 0.563311 0.869528 O\n0.430405 0.936689 0.630472 O\n0.570507 0.251159 0.384164 O\n0.070507 0.248841 0.115836 O\n0.429494 0.748841 0.615836 O\n0.900143 0.063386 0.599983 O\n0.069596 0.436689 0.130472 O\n0.018638 0.842277 0.677512 O\n0.863769 0.935729 0.211274 O\n0.543346 0.303097 0.986839 O\n0.363769 0.564271 0.288726 O\n0.136232 0.064270 0.788726 O\n0.636232 0.435729 0.711274 O\n0.044454 0.853971 0.060806 O\n0.544454 0.646029 0.439194 O\n0.955547 0.146029 0.939194 O\n0.455547 0.353971 0.560806 O\n0.572522 0.934695 0.073202 O\n0.072522 0.565305 0.426798 O\n0.427479 0.065305 0.926798 O\n0.927479 0.434695 0.573202 O\n0.990306 0.043851 0.096841 O\n0.490305 0.456149 0.403159 O\n0.009695 0.956149 0.903159 O\n0.099858 0.936614 0.400017 O\n0.509696 0.543851 0.596841 O\n0.518638 0.657723 0.822488 O\n0.481363 0.342277 0.177512 O\n0.981363 0.157723 0.322488 O\n0.057765 0.760123 0.316251 O\n0.557766 0.739877 0.183749 O\n0.942236 0.239877 0.683749 O\n0.442235 0.260123 0.816251 O\n0.629788 0.854683 0.379574 O\n0.129788 0.645316 0.120426 O\n0.370213 0.145316 0.620426 O\n0.870213 0.354683 0.879574 O\n0.956655 0.803097 0.486839 O\n0.456655 0.696903 0.013161 O\n0.043346 0.196903 0.513161 O\n0.929494 0.751159 0.884164 O\n0.599859 0.563386 0.099983 O\n",
"nsites": 68,
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"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 4.007549425512362,
"density_atomic": 0.07716239159447301,
"volume": 881.2583253947602,
"volume_molar": 7.804502472719307,
"formula_full": "Sb8 S12 O48",
"formula_reduced": "Sb2(SO4)3",
"formula_anonymous": "A2B3C12",
"energy_above_hull": 2.7072061294117646,
"spacegroup": 14
},
{
"id": "jvasp-97814",
"created_at": "2022-09-04T14:35:57.803261Z",
"updated_at": "2022-09-04T14:35:57.803277Z",
"structure_string": "Sn8 B4 F28\n1.0\n5.382598 0.000000 -0.003402\n0.000000 8.250981 0.000000\n0.009459 0.000000 13.995065\nSn B F\n8 4 28\ndirect\n0.249990 0.016769 0.190453 Sn\n0.750011 0.983231 0.809547 Sn\n0.749990 0.483231 0.690453 Sn\n0.750014 0.708684 0.052061 Sn\n0.749987 0.208684 0.447939 Sn\n0.249987 0.291316 0.947939 Sn\n0.250014 0.791316 0.552061 Sn\n0.250010 0.516769 0.309547 Sn\n0.750014 0.803301 0.375833 B\n0.749987 0.303302 0.124167 B\n0.249987 0.196698 0.624167 B\n0.250014 0.696698 0.875833 B\n0.499051 0.825098 0.149222 F\n0.749987 0.781963 0.476862 F\n0.750014 0.281963 0.023138 F\n0.250013 0.218037 0.523138 F\n0.966822 0.891566 0.350944 F\n0.533179 0.391566 0.149056 F\n0.033179 0.108434 0.649056 F\n0.466822 0.608434 0.850944 F\n0.250004 0.849267 0.829922 F\n0.249997 0.349267 0.670078 F\n0.749997 0.150733 0.170078 F\n0.000949 0.325098 0.350778 F\n0.750004 0.650733 0.329922 F\n0.033241 0.608407 0.850935 F\n0.533241 0.891593 0.350935 F\n0.966759 0.391593 0.149065 F\n0.249987 0.718037 0.976862 F\n0.499053 0.325086 0.350771 F\n-0.000947 0.174914 0.850770 F\n0.500947 0.674913 0.649229 F\n0.249983 0.081228 0.038459 F\n0.250018 0.581228 0.461541 F\n0.750018 0.918772 0.961541 F\n0.749983 0.418772 0.538458 F\n0.500949 0.174902 0.850778 F\n0.999052 0.674902 0.649222 F\n0.466759 0.108407 0.649065 F\n0.000947 0.825086 0.149229 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"B",
"F"
],
"chemical_system": "B-F-Sn",
"density": 4.0739146426304815,
"density_atomic": 0.06435574959394917,
"volume": 621.5450873057791,
"volume_molar": 9.357580011104726,
"formula_full": "Sn8 B4 F28",
"formula_reduced": "Sn2BF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.2466167960833334,
"spacegroup": 62
},
{
"id": "jvasp-97816",
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