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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3560",
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"results": [
{
"id": "jvasp-15589",
"created_at": "2022-09-04T14:36:56.730878Z",
"updated_at": "2022-09-04T14:36:56.730893Z",
"structure_string": "Th1 Si2 Pd2\n1.0\n3.963159 0.000000 -1.541107\n-0.599272 3.917590 -1.541107\n-0.001651 -0.001923 5.862201\nTh Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.618448 0.618448 0.236895 Si\n0.381553 0.381553 0.763104 Si\n0.750000 0.250000 0.500000 Pd\n0.250001 0.750000 0.500000 Pd\n",
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"formula_full": "Th1 Si2 Pd2",
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"spacegroup": 139
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{
"id": "jvasp-2601",
"created_at": "2022-09-04T14:36:56.725470Z",
"updated_at": "2022-09-04T14:36:56.725502Z",
"structure_string": "Li2 Pd1 O2\n1.0\n2.895961 -0.000002 -0.855194\n-0.392812 3.468576 -1.330082\n-0.038970 -0.022556 5.198706\nLi Pd O\n2 1 2\ndirect\n0.699769 0.699759 0.399517 Li\n0.300232 0.300242 0.600486 Li\n0.000000 0.000000 0.000000 Pd\n0.651074 0.151075 0.302158 O\n0.348927 0.848926 0.697844 O\n",
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"volume": 52.01021718535781,
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"formula_full": "Li2 Pd1 O2",
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{
"id": "jvasp-14271",
"created_at": "2022-09-04T14:37:04.598028Z",
"updated_at": "2022-09-04T14:37:04.598045Z",
"structure_string": "Yb4 Ge4 Ir2\n1.0\n4.187106 0.000000 0.977989\n2.020956 5.386420 0.799805\n0.045727 -0.037855 9.256438\nYb Ge Ir\n4 4 2\ndirect\n0.815743 0.257296 0.111220 Yb\n0.001942 0.670068 0.326049 Yb\n0.184259 0.742705 0.888779 Yb\n0.998060 0.329933 0.673951 Yb\n0.485910 0.147285 0.880898 Ge\n0.352588 0.733612 0.561214 Ge\n0.514092 0.852716 0.119101 Ge\n0.647414 0.266389 0.438785 Ge\n0.723805 0.914950 0.637445 Ir\n0.276198 0.085051 0.362555 Ir\n",
"nsites": 10,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ge-Ir-Yb",
"density": 10.884329507294545,
"density_atomic": 0.04794409729540405,
"volume": 208.5762495096264,
"volume_molar": 12.56075533739851,
"formula_full": "Yb4 Ge4 Ir2",
"formula_reduced": "Yb2Ge2Ir",
"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-106634",
"created_at": "2022-09-04T14:36:56.634717Z",
"updated_at": "2022-09-04T14:36:56.634746Z",
"structure_string": "Pr4 Mg2 Si4\n1.0\n7.413635 -0.000000 0.000000\n0.000000 7.413635 0.000000\n0.000000 -0.000000 4.415634\nPr Mg Si\n4 2 4\ndirect\n0.680437 0.180437 0.500000 Pr\n0.319564 0.819564 0.500000 Pr\n0.180437 0.319564 0.500000 Pr\n0.819564 0.680437 0.500000 Pr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.115174 0.615174 -0.000000 Si\n0.884827 0.384826 -0.000000 Si\n0.615174 0.884827 -0.000000 Si\n0.384826 0.115174 -0.000000 Si\n",
"nsites": 10,
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"elements": [
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"Mg",
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],
"chemical_system": "Mg-Pr-Si",
"density": 4.957714675849562,
"density_atomic": 0.0412044888135617,
"volume": 242.69200487468936,
"volume_molar": 14.615254146819856,
"formula_full": "Pr4 Mg2 Si4",
"formula_reduced": "Pr2MgSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7390951899999991,
"spacegroup": 127
},
{
"id": "jvasp-42495",
"created_at": "2022-09-04T14:36:56.464199Z",
"updated_at": "2022-09-04T14:36:56.464216Z",
"structure_string": "Na4 Fe2 O4\n1.0\n2.818015 -0.000000 -0.000000\n-1.409007 5.135225 0.000000\n0.000000 -0.000000 8.478069\nNa Fe O\n4 2 4\ndirect\n0.147733 0.295467 0.670787 Na\n0.393611 0.787226 0.844463 Na\n0.852264 0.704534 0.170787 Na\n0.606386 0.212775 0.344463 Na\n0.121591 0.243183 0.003992 Fe\n0.878407 0.756818 0.503992 Fe\n0.279807 0.559618 0.408417 O\n0.482311 0.964625 0.587231 O\n0.720190 0.440383 0.908417 O\n0.517686 0.035376 0.087231 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Fe",
"O"
],
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"density": 3.6225236468118758,
"density_atomic": 0.08150800730953067,
"volume": 122.68733257119766,
"volume_molar": 7.388403862126851,
"formula_full": "Na4 Fe2 O4",
"formula_reduced": "Na2FeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1755200999999995,
"spacegroup": 36
},
{
"id": "jvasp-10138",
"created_at": "2022-09-04T14:37:11.736419Z",
"updated_at": "2022-09-04T14:37:11.736430Z",
"structure_string": "K4 P4 Pd2\n1.0\n5.902471 -0.000000 -0.000000\n0.000000 5.723043 -2.616919\n-0.000000 0.069534 7.718498\nK P Pd\n4 4 2\ndirect\n0.750000 0.790260 0.580520 K\n0.750000 0.420550 0.841100 K\n0.250000 0.209739 0.419480 K\n0.250000 0.579449 0.158899 K\n0.750000 0.287776 0.226743 P\n0.250000 0.061034 0.773257 P\n0.250000 0.712223 0.773257 P\n0.750000 0.938964 0.226742 P\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"P",
"Pd"
],
"chemical_system": "K-P-Pd",
"density": 3.127735212107419,
"density_atomic": 0.03819627407316674,
"volume": 261.80564054086886,
"volume_molar": 15.76630419099075,
"formula_full": "K4 P4 Pd2",
"formula_reduced": "K2P2Pd",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.11043254,
"spacegroup": 63
},
{
"id": "jvasp-8142",
"created_at": "2022-09-04T14:37:04.709234Z",
"updated_at": "2022-09-04T14:37:04.709262Z",
"structure_string": "Sr1 Cd2 As2\n1.0\n2.252222 -3.900964 0.000000\n2.252222 3.900964 -0.000000\n-0.000000 -0.000000 7.435878\nSr Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666666 0.633102 Cd\n0.666666 0.333333 0.366899 Cd\n0.666666 0.333333 0.752964 As\n0.333333 0.666666 0.247037 As\n",
"nsites": 5,
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"elements": [
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"Cd",
"As"
],
"chemical_system": "As-Cd-Sr",
"density": 5.875078813786175,
"density_atomic": 0.0382670174222979,
"volume": 130.66082325732913,
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"formula_full": "Sr1 Cd2 As2",
"formula_reduced": "Sr(CdAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-101758",
"created_at": "2022-09-04T14:36:56.364943Z",
"updated_at": "2022-09-04T14:36:56.364968Z",
"structure_string": "Sr1 Pb2 N2\n1.0\n3.606565 -0.000000 -0.000001\n-1.803282 3.123377 -0.000000\n0.000000 0.000000 9.307627\nSr Pb N\n1 2 2\ndirect\n-0.000000 -0.000000 0.500000 Sr\n0.666666 0.333334 0.188033 Pb\n0.333334 0.666667 0.811968 Pb\n0.666666 0.333334 0.673592 N\n0.333334 0.666667 0.326408 N\n",
"nsites": 5,
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"elements": [
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"Pb",
"N"
],
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"density": 8.394506940851882,
"density_atomic": 0.04768841211334703,
"volume": 104.84727375941712,
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"formula_full": "Sr1 Pb2 N2",
"formula_reduced": "Sr(PbN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.12470689,
"spacegroup": 164
},
{
"id": "jvasp-15172",
"created_at": "2022-09-04T14:36:56.513034Z",
"updated_at": "2022-09-04T14:36:56.513044Z",
"structure_string": "Tm1 Co2 Si2\n1.0\n3.626265 -0.000000 -1.342316\n-0.496879 3.592063 -1.342316\n-0.006405 -0.007351 5.552032\nTm Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750002 0.250000 0.500000 Co\n0.250001 0.750000 0.499999 Co\n0.627288 0.627287 0.254574 Si\n0.372714 0.372712 0.745425 Si\n",
"nsites": 5,
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"elements": [
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],
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"density": 7.882823527045884,
"density_atomic": 0.06920612797461234,
"volume": 72.24793737679134,
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-2556",
"created_at": "2022-09-04T14:36:47.636451Z",
"updated_at": "2022-09-04T14:36:47.636470Z",
"structure_string": "Ca1 Cd2 Sb2\n1.0\n2.349967 -4.070262 0.000000\n2.349967 4.070262 0.000000\n0.000000 0.000000 7.595488\nCa Cd Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.369562 Cd\n0.333334 0.666668 0.630439 Cd\n0.666668 0.333334 0.766857 Sb\n0.333334 0.666668 0.233144 Sb\n",
"nsites": 5,
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"density": 5.810344959561118,
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-16132",
"created_at": "2022-09-04T14:36:47.628636Z",
"updated_at": "2022-09-04T14:36:47.628666Z",
"structure_string": "Ba1 Cu2 As2\n1.0\n3.971506 -0.000000 -1.604073\n-0.647877 3.918306 -1.604073\n0.305957 0.360701 6.476061\nBa Cu As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750001 0.250000 0.500001 Cu\n0.250000 0.750001 0.500001 Cu\n0.638205 0.638206 0.276411 As\n0.361796 0.361795 0.723590 As\n",
"nsites": 5,
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"elements": [
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"formula_full": "Ba1 Cu2 As2",
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"spacegroup": 139
},
{
"id": "jvasp-15807",
"created_at": "2022-09-04T14:36:56.334851Z",
"updated_at": "2022-09-04T14:36:56.334870Z",
"structure_string": "Sr1 Zn2 Sb2\n1.0\n2.276740 -3.943429 -0.000000\n2.276740 3.943429 0.000000\n0.000000 -0.000000 7.701476\nSr Zn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.363843 Zn\n0.333333 0.666667 0.636157 Zn\n0.333333 0.666667 0.268076 Sb\n0.666667 0.333333 0.731925 Sb\n",
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}
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}