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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=938",
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"results": [
{
"id": "jvasp-54874",
"created_at": "2022-09-04T14:38:35.614320Z",
"updated_at": "2022-09-04T14:38:35.614353Z",
"structure_string": "Er16 In4 Rh4\n1.0\n8.227771 -0.000000 4.750306\n2.742591 7.757216 4.750306\n0.000000 0.000000 9.500612\nEr In Rh\n16 4 4\ndirect\n0.189469 0.810531 0.189470 Er\n0.810530 0.189470 0.189470 Er\n0.437708 0.062292 0.437708 Er\n0.189469 0.810531 0.810531 Er\n0.650046 0.650046 0.049863 Er\n0.650046 0.650046 0.650046 Er\n0.650046 0.049862 0.650046 Er\n0.810530 0.189470 0.810531 Er\n0.437708 0.437708 0.062292 Er\n0.062292 0.437708 0.062292 Er\n0.810530 0.810531 0.189470 Er\n0.049862 0.650046 0.650046 Er\n0.437708 0.062292 0.062292 Er\n0.062292 0.437708 0.437708 Er\n0.062292 0.062292 0.437708 Er\n0.189469 0.189470 0.810530 Er\n0.751107 0.416298 0.416298 In\n0.416297 0.751108 0.416298 In\n0.416297 0.416298 0.751107 In\n0.416297 0.416298 0.416298 In\n0.857588 0.857589 0.427236 Rh\n0.427235 0.857589 0.857589 Rh\n0.857588 0.427236 0.857589 Rh\n0.857588 0.857589 0.857589 Rh\n",
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],
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"formula_full": "Er16 In4 Rh4",
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{
"id": "jvasp-56548",
"created_at": "2022-09-04T14:38:35.555323Z",
"updated_at": "2022-09-04T14:38:35.555361Z",
"structure_string": "Tb16 Cd4 Co4\n1.0\n8.184293 -0.000000 4.725203\n2.728098 7.716224 4.725203\n0.000000 0.000000 9.450407\nTb Cd Co\n16 4 4\ndirect\n0.188528 0.811472 0.188528 Tb\n0.188528 0.811472 0.811472 Tb\n0.937836 0.562164 0.937836 Tb\n0.346686 0.959943 0.346685 Tb\n0.562164 0.937835 0.937836 Tb\n0.937836 0.937835 0.562164 Tb\n0.346686 0.346685 0.959943 Tb\n0.562164 0.937835 0.562164 Tb\n0.188528 0.188528 0.811472 Tb\n0.811472 0.188528 0.188528 Tb\n0.937836 0.562164 0.562164 Tb\n0.811472 0.811472 0.188528 Tb\n0.811472 0.188528 0.811472 Tb\n0.562164 0.562164 0.937836 Tb\n0.346686 0.346685 0.346686 Tb\n0.959943 0.346685 0.346685 Tb\n0.580946 0.257160 0.580946 Cd\n0.580946 0.580946 0.580946 Cd\n0.580946 0.580946 0.257160 Cd\n0.257161 0.580946 0.580946 Cd\n0.577202 0.140933 0.140933 Co\n0.140933 0.140933 0.140933 Co\n0.140933 0.140933 0.577202 Co\n0.140933 0.577202 0.140933 Co\n",
"nsites": 24,
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"elements": [
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"Cd",
"Co"
],
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"density": 8.981950391965833,
"density_atomic": 0.04021376480850351,
"volume": 596.8105725561168,
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"formula_full": "Tb16 Cd4 Co4",
"formula_reduced": "Tb4CdCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2662273749999997,
"spacegroup": 216
},
{
"id": "jvasp-119135",
"created_at": "2022-09-04T14:38:35.349421Z",
"updated_at": "2022-09-04T14:38:35.349447Z",
"structure_string": "Ti16 Cu8 O4\n1.0\n7.005890 -0.000000 4.044853\n2.335297 6.605217 4.044853\n-0.000000 -0.000000 8.089705\nTi Cu O\n16 8 4\ndirect\n0.070312 0.070312 0.429688 Ti\n0.833565 0.833566 0.833565 Ti\n0.499304 0.833566 0.833565 Ti\n0.833565 0.833566 0.499303 Ti\n0.816050 0.183950 0.183950 Ti\n0.183951 0.816050 0.183950 Ti\n0.816050 0.816050 0.183950 Ti\n0.183951 0.816050 0.816049 Ti\n0.833565 0.499304 0.833565 Ti\n0.183950 0.183950 0.816050 Ti\n0.429688 0.070312 0.070312 Ti\n0.070312 0.429689 0.070311 Ti\n0.429688 0.429689 0.070311 Ti\n0.070312 0.429689 0.429688 Ti\n0.429688 0.070312 0.429688 Ti\n0.816050 0.183950 0.816050 Ti\n0.413584 0.413584 0.413584 Cu\n0.759249 0.413584 0.413584 Cu\n0.413584 0.759249 0.413584 Cu\n0.413584 0.413584 0.759249 Cu\n0.139080 0.620307 0.620306 Cu\n0.620307 0.139080 0.620307 Cu\n0.620307 0.620307 0.139080 Cu\n0.620307 0.620307 0.620306 Cu\n0.626402 0.124533 0.124533 O\n0.124533 0.124533 0.626403 O\n0.124533 0.626403 0.124532 O\n0.124533 0.124533 0.124533 O\n",
"nsites": 28,
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"elements": [
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"Cu",
"O"
],
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"volume": 374.3545267105719,
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"formula_full": "Ti16 Cu8 O4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 216
},
{
"id": "jvasp-56870",
"created_at": "2022-09-04T14:38:35.746483Z",
"updated_at": "2022-09-04T14:38:35.746514Z",
"structure_string": "Ti1 Ga1 Rh1\n1.0\n3.606699 -0.000000 2.082329\n1.202233 3.400428 2.082329\n0.000000 0.000000 4.164657\nTi Ga Rh\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Ti\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
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],
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"density": 7.168463960099667,
"density_atomic": 0.05873521094393175,
"volume": 51.07668725091973,
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"formula_full": "Ti1 Ga1 Rh1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-56238",
"created_at": "2022-09-04T14:38:34.909803Z",
"updated_at": "2022-09-04T14:38:34.909828Z",
"structure_string": "Hf1 Ni5\n1.0\n4.086588 -0.000000 2.359393\n1.362195 3.852873 2.359393\n-0.000000 0.000000 4.718786\nHf Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Hf\n0.624175 0.624174 0.127477 Ni\n0.127479 0.624174 0.624174 Ni\n0.250000 0.250000 0.250000 Ni\n0.624175 0.127478 0.624174 Ni\n0.624175 0.624174 0.624173 Ni\n",
"nsites": 6,
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"elements": [
"Hf",
"Ni"
],
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"density": 10.548135446237747,
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"volume": 74.29777900082455,
"volume_molar": 7.457194721638959,
"formula_full": "Hf1 Ni5",
"formula_reduced": "HfNi5",
"formula_anonymous": "AB5",
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"spacegroup": 216
},
{
"id": "jvasp-51094",
"created_at": "2022-09-04T14:38:35.016593Z",
"updated_at": "2022-09-04T14:38:35.016621Z",
"structure_string": "In1 Si1 Ir1\n1.0\n-0.000000 3.114375 3.114375\n3.114375 0.000000 3.114375\n3.114375 3.114375 0.000000\nIn Si Ir\n1 1 1\ndirect\n0.250000 0.250000 0.250000 In\n0.499999 0.499999 0.499999 Si\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
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"elements": [
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"Si",
"Ir"
],
"chemical_system": "In-Ir-Si",
"density": 9.211012752470104,
"density_atomic": 0.04965677900041859,
"volume": 60.41471195654296,
"volume_molar": 12.127529979238558,
"formula_full": "In1 Si1 Ir1",
"formula_reduced": "InSiIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.383566556666666,
"spacegroup": 216
},
{
"id": "jvasp-31170",
"created_at": "2022-09-04T14:38:34.808472Z",
"updated_at": "2022-09-04T14:38:34.808499Z",
"structure_string": "In5 Ag1 S8\n1.0\n7.745996 -0.000000 -0.000000\n3.872998 6.708228 -0.000000\n3.872998 2.236076 6.324580\nIn Ag S\n5 1 8\ndirect\n0.000000 0.000000 0.000000 In\n0.142516 0.619162 0.619161 In\n0.619162 0.142516 0.619161 In\n0.619162 0.619162 0.142516 In\n0.619162 0.619162 0.619161 In\n0.250000 0.250000 0.250000 Ag\n0.382002 0.382002 0.382001 S\n0.382002 0.382002 0.853996 S\n0.382002 0.853996 0.382001 S\n0.853996 0.382002 0.382001 S\n0.402105 0.865966 0.865965 S\n0.865966 0.865966 0.402105 S\n0.865966 0.402105 0.865965 S\n0.865966 0.865966 0.865965 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.741945000382297,
"density_atomic": 0.04260016310414949,
"volume": 328.63723938738445,
"volume_molar": 14.13642653263318,
"formula_full": "In5 Ag1 S8",
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"formula_anonymous": "AB5C8",
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"spacegroup": 216
},
{
"id": "jvasp-118549",
"created_at": "2022-09-04T14:38:34.787984Z",
"updated_at": "2022-09-04T14:38:34.788010Z",
"structure_string": "Sr1 In1 I1\n1.0\n-0.000000 3.996950 3.996950\n3.996950 0.000000 3.996950\n3.996950 3.996950 0.000000\nSr In I\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 I\n",
"nsites": 3,
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"elements": [
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"density": 4.282335544858135,
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"volume": 127.70742320325475,
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"spacegroup": 216
},
{
"id": "jvasp-56600",
"created_at": "2022-09-04T14:38:34.537371Z",
"updated_at": "2022-09-04T14:38:34.537395Z",
"structure_string": "Dy16 Cd4 Rh4\n1.0\n8.260751 -0.000000 4.769347\n2.753584 7.788310 4.769347\n-0.000000 -0.000000 9.538694\nDy Cd Rh\n16 4 4\ndirect\n0.935886 0.564113 0.564114 Dy\n0.935886 0.564113 0.935887 Dy\n0.564113 0.935886 0.935887 Dy\n0.810735 0.189264 0.810736 Dy\n0.350152 0.350153 0.949541 Dy\n0.189264 0.810736 0.810736 Dy\n0.949541 0.350153 0.350153 Dy\n0.189264 0.810736 0.189265 Dy\n0.189264 0.189264 0.810735 Dy\n0.935886 0.935886 0.564114 Dy\n0.810735 0.189264 0.189265 Dy\n0.564113 0.935886 0.564114 Dy\n0.564113 0.564113 0.935887 Dy\n0.810735 0.810736 0.189265 Dy\n0.350152 0.350153 0.350153 Dy\n0.350152 0.949541 0.350153 Dy\n0.581777 0.254669 0.581777 Cd\n0.254669 0.581777 0.581778 Cd\n0.581777 0.581777 0.254670 Cd\n0.581777 0.581777 0.581778 Cd\n0.572332 0.142556 0.142557 Rh\n0.142556 0.142556 0.572332 Rh\n0.142556 0.572332 0.142557 Rh\n0.142556 0.142556 0.142556 Rh\n",
"nsites": 24,
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{
"id": "jvasp-34414",
"created_at": "2022-09-04T14:38:34.221146Z",
"updated_at": "2022-09-04T14:38:34.221171Z",
"structure_string": "Al1 Mo4 S8\n1.0\n6.010295 0.015965 3.443832\n2.003311 5.666626 3.443832\n0.022514 0.015965 6.926986\nAl Mo S\n1 4 8\ndirect\n0.004152 0.004152 0.004152 Al\n0.401789 0.401789 0.811240 Mo\n0.401798 0.401798 0.401798 Mo\n0.811239 0.401790 0.401789 Mo\n0.401789 0.811240 0.401789 Mo\n0.638126 0.638126 0.638126 S\n0.102229 0.638131 0.638131 S\n0.638131 0.102230 0.638131 S\n0.138447 0.601282 0.138447 S\n0.138441 0.138441 0.138441 S\n0.138447 0.138447 0.601282 S\n0.601281 0.138448 0.138447 S\n0.638131 0.638132 0.102229 S\n",
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],
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"volume": 235.0399670117032,
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"spacegroup": 216
},
{
"id": "jvasp-56601",
"created_at": "2022-09-04T14:38:34.636418Z",
"updated_at": "2022-09-04T14:38:34.636454Z",
"structure_string": "Ca1 In1 Cu4\n1.0\n4.454300 0.000000 2.571692\n1.484767 4.199555 2.571692\n-0.000000 0.000000 5.143383\nCa In Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 In\n0.624472 0.126583 0.624471 Cu\n0.624472 0.624471 0.126583 Cu\n0.126584 0.624471 0.624471 Cu\n0.624472 0.624471 0.624471 Cu\n",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-119448",
"created_at": "2022-09-04T14:38:33.500647Z",
"updated_at": "2022-09-04T14:38:33.500674Z",
"structure_string": "Y16 Mg4 Ir4\n1.0\n8.393514 0.000000 4.845997\n2.797838 7.913481 4.845997\n-0.000000 -0.000000 9.691995\nY Mg Ir\n16 4 4\ndirect\n0.596648 0.596648 0.596648 Y\n0.186636 0.186636 0.813364 Y\n0.813364 0.813364 0.186636 Y\n0.186636 0.813364 0.186636 Y\n0.813364 0.186636 0.813364 Y\n0.186636 0.813364 0.813364 Y\n0.061549 0.061549 0.438451 Y\n0.438451 0.438451 0.061549 Y\n0.813364 0.186636 0.186636 Y\n0.438451 0.061549 0.438451 Y\n0.438451 0.061549 0.061549 Y\n0.061549 0.438451 0.438451 Y\n0.210055 0.596648 0.596648 Y\n0.596648 0.210055 0.596648 Y\n0.596648 0.596648 0.210056 Y\n0.061549 0.438451 0.061549 Y\n0.829676 0.829676 0.829676 Mg\n0.829676 0.829676 0.510974 Mg\n0.829676 0.510974 0.829676 Mg\n0.510974 0.829676 0.829676 Mg\n0.391054 0.826837 0.391054 Ir\n0.391054 0.391054 0.391054 Ir\n0.391054 0.391054 0.826837 Ir\n0.826837 0.391054 0.391055 Ir\n",
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],
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"volume": 643.7608541356041,
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"formula_full": "Y16 Mg4 Ir4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
}
]
}