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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3444",
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"results": [
{
"id": "jvasp-23534",
"created_at": "2022-09-04T14:37:38.537403Z",
"updated_at": "2022-09-04T14:37:38.537436Z",
"structure_string": "K2 In4 Au8\n1.0\n7.159147 -0.009884 -2.394643\n-3.713685 6.120624 -2.394643\n0.005573 0.009884 7.549018\nK In Au\n2 4 8\ndirect\n0.750001 0.750000 0.000001 K\n0.250000 0.250000 0.000000 K\n0.355599 0.855598 0.211197 In\n0.855599 0.644401 0.500001 In\n0.144401 0.355598 0.500000 In\n0.644401 0.144401 0.788804 In\n0.513407 0.316330 0.500000 Au\n0.316330 0.816330 0.802924 Au\n0.816331 0.013407 0.500001 Au\n0.013407 0.513407 0.197076 Au\n0.683670 0.183670 0.197076 Au\n0.183670 0.986592 0.500000 Au\n0.486593 0.683669 0.500000 Au\n0.986593 0.486593 0.802925 Au\n",
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{
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"updated_at": "2022-09-04T14:38:54.812912Z",
"structure_string": "Pd6 Cl12\n1.0\n4.776606 -0.312408 0.468250\n1.245283 9.707716 0.904892\n0.051339 -0.218193 9.085076\nPd Cl\n6 12\ndirect\n0.534693 0.823011 0.076658 Pd\n0.014975 0.291607 0.170407 Pd\n0.256469 0.434721 0.621479 Pd\n0.465307 0.176989 0.923342 Pd\n0.985025 0.708394 0.829593 Pd\n0.743532 0.565279 0.378521 Pd\n0.349937 0.533741 0.839091 Cl\n0.146532 0.040559 0.554999 Cl\n0.029294 0.359761 0.418123 Cl\n0.650063 0.466259 0.160909 Cl\n0.475891 0.766952 0.332112 Cl\n0.524109 0.233049 0.667888 Cl\n0.616999 0.877994 0.820111 Cl\n0.970706 0.640240 0.581878 Cl\n0.045805 0.783466 0.068102 Cl\n0.383001 0.122006 0.179889 Cl\n-0.045806 0.216534 -0.068102 Cl\n0.853469 0.959442 0.445001 Cl\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.153354247554608,
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"volume": 425.3767913448949,
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"formula_full": "Pd6 Cl12",
"formula_reduced": "PdCl2",
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"spacegroup": 2
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{
"id": "jvasp-40862",
"created_at": "2022-09-04T14:37:34.781331Z",
"updated_at": "2022-09-04T14:37:34.781352Z",
"structure_string": "Pm1 Pb1 Au2\n1.0\n0.000001 3.615580 3.615580\n3.615582 0.000006 3.615575\n3.615585 3.615578 0.000002\nPm Pb Au\n1 1 2\ndirect\n0.750001 0.750000 0.750001 Pm\n0.250000 0.250000 0.250000 Pb\n0.500001 0.500001 0.500001 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Pb",
"Au"
],
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"density": 13.106962139325594,
"density_atomic": 0.04231522067381313,
"volume": 94.52863381793513,
"volume_molar": 14.23161846755254,
"formula_full": "Pm1 Pb1 Au2",
"formula_reduced": "PmPbAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5073392837499999,
"spacegroup": 225
},
{
"id": "jvasp-105530",
"created_at": "2022-09-04T14:36:55.667276Z",
"updated_at": "2022-09-04T14:36:55.667308Z",
"structure_string": "Ce1 Nd1 S2\n1.0\n3.874540 -0.008292 5.864365\n1.756156 3.453700 5.864365\n-0.013551 -0.008292 7.028702\nCe Nd S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500001 0.499998 Nd\n0.250660 0.250660 0.250659 S\n0.749341 0.749341 0.749338 S\n",
"nsites": 4,
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"elements": [
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"Nd",
"S"
],
"chemical_system": "Ce-Nd-S",
"density": 6.12130576872049,
"density_atomic": 0.04231234933423703,
"volume": 94.53504858363893,
"volume_molar": 14.232584233102806,
"formula_full": "Ce1 Nd1 S2",
"formula_reduced": "CeNdS2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-110663",
"created_at": "2022-09-04T14:38:37.129404Z",
"updated_at": "2022-09-04T14:38:37.129425Z",
"structure_string": "Li3 Sc1 Cl6\n1.0\n6.010099 -0.000000 3.469932\n2.003366 5.666376 3.469932\n-0.000000 -0.000000 6.939865\nLi Sc Cl\n3 1 6\ndirect\n0.750000 0.750001 0.749999 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Sc\n0.749580 0.250421 0.250420 Cl\n0.250421 0.250421 0.749579 Cl\n0.250421 0.749580 0.749578 Cl\n0.250421 0.749580 0.250419 Cl\n0.749580 0.250421 0.749579 Cl\n0.749580 0.749580 0.250419 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
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"density": 1.9567324351316755,
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"volume": 236.34043878479585,
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"formula_full": "Li3 Sc1 Cl6",
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"formula_anonymous": "AB3C6",
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{
"id": "jvasp-107954",
"created_at": "2022-09-04T14:38:18.063553Z",
"updated_at": "2022-09-04T14:38:18.063563Z",
"structure_string": "Mg5 Pb1\n1.0\n4.988223 0.016592 3.641141\n1.859235 4.628811 3.641141\n0.024457 0.016592 6.175733\nMg Pb\n5 1\ndirect\n0.000001 0.671067 0.328932 Mg\n0.671067 0.328932 0.000000 Mg\n0.328933 -0.000000 0.671067 Mg\n0.830798 0.830796 0.830796 Mg\n0.169203 0.169203 0.169203 Mg\n0.500001 0.499999 0.500000 Pb\n",
"nsites": 6,
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],
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"density": 3.849387171784266,
"density_atomic": 0.042311752491415375,
"volume": 141.80457311989946,
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"spacegroup": 155
},
{
"id": "jvasp-18848",
"created_at": "2022-09-04T14:36:40.045371Z",
"updated_at": "2022-09-04T14:36:40.045395Z",
"structure_string": "Dy2 Sn2 Au2\n1.0\n2.343809 -4.059596 0.000000\n2.343809 4.059596 0.000000\n0.000000 -0.000000 7.451719\nDy Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.246913 Dy\n0.000000 0.000000 0.746913 Dy\n0.333333 0.666667 0.973728 Sn\n0.666667 0.333333 0.473728 Sn\n0.666667 0.333333 0.077859 Au\n0.333333 0.666667 0.577860 Au\n",
"nsites": 6,
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"elements": [
"Dy",
"Sn",
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"volume": 141.8049851401939,
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"formula_full": "Dy2 Sn2 Au2",
"formula_reduced": "DySnAu",
"formula_anonymous": "ABC",
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"spacegroup": 186
},
{
"id": "jvasp-14213",
"created_at": "2022-09-04T14:38:03.851546Z",
"updated_at": "2022-09-04T14:38:03.851567Z",
"structure_string": "Tl4 P20\n1.0\n6.545238 0.000000 0.000000\n0.000000 7.028703 0.000000\n0.000000 0.000000 12.330646\nTl P\n4 20\ndirect\n0.500000 0.014823 0.341028 Tl\n0.500000 0.985176 0.841028 Tl\n0.000000 0.777761 0.499480 Tl\n0.000000 0.222239 -0.000520 Tl\n0.000000 0.345726 0.508592 P\n0.000000 0.654274 0.008592 P\n0.000000 0.170343 0.358931 P\n0.000000 0.829657 0.858931 P\n0.000000 0.383394 0.228427 P\n0.000000 0.616606 0.728427 P\n0.252736 0.592082 0.261601 P\n0.747264 0.407917 0.761601 P\n0.747264 0.592082 0.261601 P\n0.249797 0.785622 0.111300 P\n0.500000 0.339970 0.510670 P\n0.750203 0.214378 0.611300 P\n0.750203 0.785622 0.111300 P\n0.249797 0.214378 0.611300 P\n0.500000 0.613980 0.716784 P\n0.500000 0.386020 0.216784 P\n0.500000 0.646810 0.541988 P\n0.500000 0.353190 0.041988 P\n0.252736 0.407917 0.761601 P\n0.500000 0.660030 0.010670 P\n",
"nsites": 24,
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"elements": [
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"volume": 567.2656227335939,
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},
{
"id": "jvasp-114712",
"created_at": "2022-09-04T14:38:41.797514Z",
"updated_at": "2022-09-04T14:38:41.797530Z",
"structure_string": "Ca1 Ga1 Si1\n1.0\n5.204331 0.000000 0.000000\n-2.602166 4.507083 0.000000\n-0.000000 0.000000 3.023039\nCa Ga Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.000000 Ga\n0.666666 0.333333 0.000000 Si\n",
"nsites": 3,
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-42007",
"created_at": "2022-09-04T14:37:38.087786Z",
"updated_at": "2022-09-04T14:37:38.087807Z",
"structure_string": "Pm2 Zn1 Si1\n1.0\n-0.000000 3.615869 3.615869\n3.615869 -0.000000 3.615869\n3.615869 3.615869 -0.000000\nPm Zn Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500001 0.500001 0.500001 Pm\n0.750001 0.750001 0.750001 Zn\n0.250000 0.250000 0.250000 Si\n",
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"volume": 94.55142085590457,
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},
{
"id": "jvasp-93140",
"created_at": "2022-09-04T14:35:46.617950Z",
"updated_at": "2022-09-04T14:35:46.617979Z",
"structure_string": "Ce1 Mg6 C1\n1.0\n6.722241 1.518685 0.000000\n-2.296442 5.734198 0.000000\n0.000000 0.000000 4.498849\nCe Mg C\n1 6 1\ndirect\n0.125788 0.340437 0.250000 Ce\n0.609448 0.350349 0.250000 Mg\n0.546879 0.865611 0.250000 Mg\n0.269240 0.020110 0.750000 Mg\n0.424222 0.571847 0.750000 Mg\n0.808525 0.108327 0.750000 Mg\n0.883266 0.636796 0.750000 Mg\n0.332634 0.106529 0.250000 C\n",
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"volume": 189.10566672210916,
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{
"id": "jvasp-93142",
"created_at": "2022-09-04T14:35:50.121793Z",
"updated_at": "2022-09-04T14:35:50.121809Z",
"structure_string": "Ce1 Hf1 Mg6\n1.0\n6.726646 0.377328 0.000000\n-3.036548 5.259454 0.000000\n0.000000 0.000000 5.177565\nCe Hf Mg\n1 1 6\ndirect\n0.144319 0.322159 0.250000 Ce\n0.167578 0.833789 0.250000 Hf\n0.651358 0.328234 0.250000 Mg\n0.651358 0.823123 0.250000 Mg\n0.346152 0.169754 0.750001 Mg\n0.346152 0.676399 0.750001 Mg\n0.822357 0.161179 0.750001 Mg\n0.870726 0.685364 0.750001 Mg\n",
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