{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4339","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4337","results":[{"id":"jvasp-111020","created_at":"2022-09-04T14:38:46.400863Z","updated_at":"2022-09-04T14:38:46.400886Z","structure_string":"Nd2 Cd2 In2\n1.0\n4.919619 0.000000 0.000000\n-2.459809 4.260515 0.000000\n0.000000 -0.000000 7.717234\nNd Cd In\n2 2 2\ndirect\n0.000000 0.000000 0.261351 Nd\n0.000000 0.000000 0.738648 Nd\n0.333333 0.666666 0.475966 Cd\n0.666667 0.333333 0.524034 Cd\n0.666667 0.333333 0.946458 In\n0.333333 0.666666 0.053541 In\n","nsites":6,"nelements":3,"elements":["Nd","Cd","In"],"chemical_system":"Cd-In-Nd","density":7.62691261026505,"density_atomic":0.037093346171658916,"volume":161.7540777322561,"volume_molar":16.235097076793792,"formula_full":"Nd2 Cd2 In2","formula_reduced":"NdCdIn","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":164},{"id":"jvasp-115652","created_at":"2022-09-04T14:38:46.400905Z","updated_at":"2022-09-04T14:38:46.400934Z","structure_string":"Be1 Sn1 Sb1\n1.0\n4.905185 0.008506 0.000000\n-0.009867 5.068345 0.000000\n0.000000 0.000000 3.077521\nBe Sn Sb\n1 1 1\ndirect\n-0.075886 -0.119412 0.000000 Be\n-0.076171 0.394558 0.000000 Sn\n0.424084 -0.003118 0.000000 Sb\n","nsites":3,"nelements":3,"elements":["Be","Sn","Sb"],"chemical_system":"Be-Sb-Sn","density":5.414577559886186,"density_atomic":0.03921003252189009,"volume":76.51103064821909,"volume_molar":15.358673208541648,"formula_full":"Be1 Sn1 Sb1","formula_reduced":"BeSnSb","formula_anonymous":"ABC","energy_above_hull":1.2807913,"spacegroup":25},{"id":"jvasp-115460","created_at":"2022-09-04T14:38:46.402809Z","updated_at":"2022-09-04T14:38:46.402842Z","structure_string":"Au3 S1\n1.0\n4.935631 -0.175617 0.185847\n1.595511 -2.385678 -0.192158\n1.925637 -1.611149 -6.966144\nAu S\n3 1\ndirect\n0.908459 0.059958 0.027340 Au\n0.902732 0.627485 0.466537 Au\n0.421103 0.828494 0.246617 Au\n0.265155 -0.012130 0.743992 S\n","nsites":4,"nelements":2,"elements":["Au","S"],"chemical_system":"Au-S","density":13.09668349823869,"density_atomic":0.05064175909587662,"volume":78.98619778248758,"volume_molar":11.891650028583502,"formula_full":"Au3 S1","formula_reduced":"Au3S","formula_anonymous":"AB3","energy_above_hull":0.8266506775,"spacegroup":25},{"id":"jvasp-113060","created_at":"2022-09-04T14:38:46.403517Z","updated_at":"2022-09-04T14:38:46.403541Z","structure_string":"Sn3 Sb1 Se2 I5\n1.0\n7.333296 0.007292 1.124252\n6.070802 4.113715 1.124252\n0.111523 0.034287 12.812195\nSn Sb Se I\n3 1 2 5\ndirect\n0.624431 0.624429 0.477093 Sn\n0.369694 0.369693 0.532041 Sn\n0.639597 0.639596 0.829573 Sn\n0.361574 0.361573 0.186507 Sb\n0.752871 0.752869 0.615928 Se\n0.245955 0.245954 0.381224 Se\n0.720156 0.720154 0.138917 I\n0.289042 0.289043 0.858403 I\n0.972780 0.972777 0.309479 I\n0.025637 0.025638 0.667520 I\n0.998269 0.998266 0.003312 I\n","nsites":11,"nelements":4,"elements":["Sn","Sb","Se","I"],"chemical_system":"I-Sb-Se-Sn","density":5.4737110175567745,"density_atomic":0.028543557174269645,"volume":385.37593379972486,"volume_molar":21.098073807803498,"formula_full":"Sn3 Sb1 Se2 I5","formula_reduced":"Sn3SbSe2I5","formula_anonymous":"AB2C3D5","energy_above_hull":0.4059335734848486,"spacegroup":8},{"id":"jvasp-120578","created_at":"2022-09-04T14:38:46.406096Z","updated_at":"2022-09-04T14:38:46.406113Z","structure_string":"Rb1 Mn4 O8\n1.0\n5.151304 0.019932 4.871768\n4.321602 2.803583 4.871768\n0.076393 0.022770 9.815288\nRb Mn O\n1 4 8\ndirect\n0.500000 0.499999 0.000001 Rb\n0.348836 0.348836 0.485143 Mn\n0.166156 0.166156 0.182869 Mn\n0.833843 0.833842 0.817133 Mn\n0.651163 0.651162 0.514858 Mn\n0.541520 0.541519 0.291350 O\n0.154418 0.154418 0.643653 O\n0.167958 0.167958 0.373579 O\n0.201637 0.201637 0.953069 O\n0.798363 0.798361 0.046933 O\n0.832042 0.832040 0.626423 O\n0.845582 0.845580 0.356349 O\n0.458480 0.458480 0.708652 O\n","nsites":13,"nelements":3,"elements":["Rb","Mn","O"],"chemical_system":"Mn-O-Rb","density":5.146451331610406,"density_atomic":0.09300332146118474,"volume":139.77995404632506,"volume_molar":6.475188913025394,"formula_full":"Rb1 Mn4 O8","formula_reduced":"RbMn4O8","formula_anonymous":"AB4C8","energy_above_hull":3.187581305039788,"spacegroup":87},{"id":"jvasp-113056","created_at":"2022-09-04T14:38:46.409790Z","updated_at":"2022-09-04T14:38:46.409808Z","structure_string":"Sr4 Mn1 Ru1 O8\n1.0\n3.801052 -0.000000 0.000000\n0.000000 3.801052 0.000000\n-0.000000 -0.000000 12.832861\nSr Mn Ru O\n4 1 1 8\ndirect\n0.500000 0.500000 0.141505 Sr\n0.000000 0.000000 0.653193 Sr\n0.000000 0.000000 0.346807 Sr\n0.500000 0.500000 0.858495 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.336429 O\n0.000000 0.000000 0.842905 O\n0.000000 0.000000 0.157095 O\n0.500000 0.500000 0.663570 O\n","nsites":14,"nelements":4,"elements":["Sr","Mn","Ru","O"],"chemical_system":"Mn-O-Ru-Sr","density":5.682482976439657,"density_atomic":0.07550868787267828,"volume":185.4091283324458,"volume_molar":7.975427635763518,"formula_full":"Sr4 Mn1 Ru1 O8","formula_reduced":"Sr4MnRuO8","formula_anonymous":"ABC4D8","energy_above_hull":2.0972036415270936,"spacegroup":123},{"id":"jvasp-120252","created_at":"2022-09-04T14:38:46.409814Z","updated_at":"2022-09-04T14:38:46.409842Z","structure_string":"Ge2 I1\n1.0\n3.844347 0.264581 1.542321\n-1.724209 -3.715750 -0.668528\n-2.885474 1.168289 -7.925554\nGe I\n2 1\ndirect\n0.159136 0.688513 0.640401 Ge\n0.637462 0.970767 0.520101 Ge\n0.014759 0.944492 0.079618 I\n","nsites":3,"nelements":2,"elements":["Ge","I"],"chemical_system":"Ge-I","density":4.835596635895816,"density_atomic":0.03209658906330388,"volume":93.46787579462482,"volume_molar":18.762556819114252,"formula_full":"Ge2 I1","formula_reduced":"Ge2I","formula_anonymous":"AB2","energy_above_hull":0.439352975,"spacegroup":5},{"id":"jvasp-113004","created_at":"2022-09-04T14:38:46.412130Z","updated_at":"2022-09-04T14:38:46.412164Z","structure_string":"Sm4 Cr4 Sb12\n1.0\n6.090274 -0.000000 0.000000\n0.000000 6.249907 0.000000\n0.000000 0.000000 12.948289\nSm Cr Sb\n4 4 12\ndirect\n0.250000 0.506165 0.309162 Sm\n0.749999 0.493835 0.690838 Sm\n0.250000 0.006165 0.690838 Sm\n0.749999 0.993835 0.309162 Sm\n-0.000000 0.750000 0.906029 Cr\n-0.000000 0.250000 0.093971 Cr\n0.500000 0.250000 0.093971 Cr\n0.500000 0.750000 0.906029 Cr\n0.749999 -0.004323 0.775562 Sb\n0.250000 0.004323 0.224438 Sb\n0.749999 0.899866 0.063516 Sb\n0.250000 0.100135 0.936484 Sb\n0.749999 0.399866 0.936484 Sb\n-0.000000 0.250000 0.497894 Sb\n0.500000 0.750000 0.502106 Sb\n0.500000 0.250000 0.497894 Sb\n0.250000 0.504323 0.775562 Sb\n-0.000000 0.750000 0.502106 Sb\n0.250000 0.600135 0.063516 Sb\n0.749999 0.495677 0.224438 Sb\n","nsites":20,"nelements":3,"elements":["Sm","Cr","Sb"],"chemical_system":"Cr-Sb-Sm","density":7.649909992456347,"density_atomic":0.04057954981353641,"volume":492.8590901550233,"volume_molar":14.8403340787954,"formula_full":"Sm4 Cr4 Sb12","formula_reduced":"SmCrSb3","formula_anonymous":"ABC3","energy_above_hull":2.286364915,"spacegroup":57},{"id":"jvasp-115465","created_at":"2022-09-04T14:38:46.414992Z","updated_at":"2022-09-04T14:38:46.415013Z","structure_string":"Li1 Bi1 B1\n1.0\n4.356224 2.286939 0.000000\n2.196069 6.228237 0.000000\n0.000000 0.000000 3.086035\nLi Bi B\n1 1 1\ndirect\n-0.062596 0.422735 0.000000 Li\n-0.062801 -0.077225 0.000000 Bi\n0.437214 -0.077252 0.000000 B\n","nsites":3,"nelements":3,"elements":["Li","Bi","B"],"chemical_system":"B-Bi-Li","density":5.518060485159186,"density_atomic":0.043968842091345925,"volume":68.23013427934843,"volume_molar":13.696382423464582,"formula_full":"Li1 Bi1 B1","formula_reduced":"LiBiB","formula_anonymous":"ABC","energy_above_hull":2.0754322944444445,"spacegroup":47},{"id":"jvasp-115323","created_at":"2022-09-04T14:38:46.416498Z","updated_at":"2022-09-04T14:38:46.416527Z","structure_string":"Tl1 S1 O1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nTl S O\n1 1 1\ndirect\n-0.023770 0.336068 0.000000 Tl\n0.271484 -0.031721 0.000000 S\n-0.057156 -0.049656 0.000000 O\n","nsites":3,"nelements":3,"elements":["Tl","S","O"],"chemical_system":"O-S-Tl","density":2.0980297232939575,"density_atomic":0.015014551905253628,"volume":199.80616264347475,"volume_molar":40.10869453848196,"formula_full":"Tl1 S1 O1","formula_reduced":"TlSO","formula_anonymous":"ABC","energy_above_hull":1.2877253666666668,"spacegroup":6},{"id":"jvasp-113062","created_at":"2022-09-04T14:38:46.428733Z","updated_at":"2022-09-04T14:38:46.428759Z","structure_string":"Rb2 Co2 Ni2 F12\n1.0\n6.132339 0.022148 -3.502013\n-2.014935 5.782891 -3.516871\n-0.064440 -0.022148 7.061552\nRb Co Ni F\n2 2 2 12\ndirect\n0.377615 0.627614 0.750000 Rb\n0.622386 0.372386 0.250000 Rb\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n-0.000000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.085180 0.934438 0.769303 F\n0.665136 0.315876 0.730697 F\n0.085707 0.335706 0.750000 F\n0.685393 0.935392 0.750000 F\n0.914821 0.684123 0.849259 F\n0.334865 0.684123 0.269303 F\n0.914821 0.065562 0.230698 F\n0.665136 0.934438 0.349259 F\n0.914294 0.664294 0.250001 F\n0.314608 0.064608 0.250000 F\n0.334865 0.065562 0.650741 F\n0.085179 0.315876 0.150741 F\n","nsites":18,"nelements":4,"elements":["Rb","Co","Ni","F"],"chemical_system":"Co-F-Ni-Rb","density":4.232527209846038,"density_atomic":0.07234653362762075,"volume":248.80252166121596,"volume_molar":8.324021149371065,"formula_full":"Rb2 Co2 Ni2 F12","formula_reduced":"RbCoNiF6","formula_anonymous":"ABCD6","energy_above_hull":0.0870861105555554,"spacegroup":74},{"id":"jvasp-113218","created_at":"2022-09-04T14:38:46.436419Z","updated_at":"2022-09-04T14:38:46.436454Z","structure_string":"Li4 Mn4 Co2 O12\n1.0\n4.859938 -0.000080 -0.405746\n-2.429851 4.232613 0.202710\n-0.804827 -0.000443 9.889351\nLi Mn Co O\n4 4 2 12\ndirect\n0.586222 0.327629 0.740402 Li\n0.741366 0.327533 0.259573 Li\n0.258636 0.672467 0.740427 Li\n0.413780 0.672372 0.259597 Li\n0.839061 0.678117 0.500004 Mn\n0.666695 0.333354 -0.000006 Mn\n0.333304 0.666646 0.000005 Mn\n0.160938 0.321882 0.499996 Mn\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.129351 0.657986 0.395064 O\n0.964125 0.660887 0.893220 O\n0.870649 0.342014 0.604937 O\n0.471355 0.342001 0.395056 O\n0.303210 0.339058 0.893255 O\n0.211167 0.000020 0.610414 O\n0.788833 -0.000020 0.389585 O\n0.625642 -0.000026 0.892820 O\n0.374359 0.000027 0.107178 O\n0.528645 0.657997 0.604944 O\n0.696790 0.660942 0.106743 O\n0.035875 0.339114 0.106777 O\n","nsites":22,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.580941898266966,"density_atomic":0.10888814347037491,"volume":202.04219944282104,"volume_molar":5.530575293203009,"formula_full":"Li4 Mn4 Co2 O12","formula_reduced":"Li2Mn2CoO6","formula_anonymous":"AB2C2D6","energy_above_hull":2.8693587620689653,"spacegroup":12}]}