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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=429",
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{
"id": "jvasp-41753",
"created_at": "2022-09-04T14:37:28.421840Z",
"updated_at": "2022-09-04T14:37:28.421865Z",
"structure_string": "Rb6 Ge2 P2 Se14\n1.0\n-7.264687 -0.013952 0.017203\n3.596363 9.052565 -0.101900\n-0.074617 -2.336050 -11.700006\nRb Ge P Se\n6 2 2 14\ndirect\n0.933089 0.474256 0.209169 Rb\n0.066913 0.525745 0.790831 Rb\n0.315143 0.125609 0.603558 Rb\n0.684858 0.874392 0.396443 Rb\n0.386551 0.196982 0.986229 Rb\n0.613451 0.803019 0.013771 Rb\n0.601961 0.560705 0.630664 Ge\n0.398041 0.439296 0.369336 Ge\n0.768857 0.072217 0.780482 P\n0.231145 0.927784 0.219518 P\n0.456490 0.922855 0.776461 Se\n0.543511 0.077146 0.223540 Se\n0.466989 0.522407 0.198628 Se\n0.533013 0.477594 0.801373 Se\n0.344465 0.609298 0.533076 Se\n0.655537 0.390703 0.466925 Se\n0.107570 0.772879 0.054350 Se\n0.925572 0.763772 0.632544 Se\n0.037200 0.064528 0.191874 Se\n0.962802 0.935473 0.808126 Se\n0.844664 0.172547 0.627759 Se\n0.892432 0.227122 0.945651 Se\n0.074429 0.236229 0.367456 Se\n0.155338 0.827454 0.372242 Se\n",
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],
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{
"id": "jvasp-14598",
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"updated_at": "2022-09-04T14:36:04.023851Z",
"structure_string": "Y2\n1.0\n1.812173 -3.138775 -0.000000\n1.812173 3.138775 -0.000000\n0.000000 -0.000000 5.643741\nY\n2\ndirect\n0.333332 0.666666 0.250000 Y\n0.666666 0.333332 0.750000 Y\n",
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"elements": [
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"volume": 64.20323495583702,
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"formula_full": "Y2",
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{
"id": "jvasp-106749",
"created_at": "2022-09-04T14:36:55.288501Z",
"updated_at": "2022-09-04T14:36:55.288526Z",
"structure_string": "Sb1 Te1\n1.0\n3.687049 -0.250155 2.563594\n1.205484 3.493382 2.563594\n-0.377369 -0.250155 4.474812\nSb Te\n1 1\ndirect\n0.500000 0.499998 0.500000 Sb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
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"elements": [
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],
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"density": 6.44980058822094,
"density_atomic": 0.03115303739943866,
"volume": 64.19919747652078,
"volume_molar": 19.33083019413225,
"formula_full": "Sb1 Te1",
"formula_reduced": "SbTe",
"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-1050",
"created_at": "2022-09-04T14:37:48.340183Z",
"updated_at": "2022-09-04T14:37:48.340203Z",
"structure_string": "Y2\n1.0\n1.812132 -3.138704 0.000000\n1.812132 3.138704 0.000000\n0.000000 0.000000 5.643514\nY\n2\ndirect\n0.333333 0.666666 0.250000 Y\n0.666666 0.333333 0.749999 Y\n",
"nsites": 2,
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"elements": [
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"volume": 64.19774787273313,
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"formula_full": "Y2",
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"energy_above_hull": 4.549999999881038e-06,
"spacegroup": 194
},
{
"id": "jvasp-38900",
"created_at": "2022-09-04T14:37:37.420767Z",
"updated_at": "2022-09-04T14:37:37.420794Z",
"structure_string": "Tb6 Nd2\n1.0\n3.601522 -6.238017 -0.000000\n3.601522 6.238017 -0.000000\n0.000000 0.000000 5.714660\nTb Nd\n6 2\ndirect\n0.165676 0.331351 0.750000 Tb\n0.668648 0.834324 0.750000 Tb\n0.834324 0.165675 0.250000 Tb\n0.834324 0.668648 0.250000 Tb\n0.331351 0.165676 0.250000 Tb\n0.165675 0.834324 0.750000 Tb\n0.666667 0.333333 0.750000 Nd\n0.333333 0.666667 0.250000 Nd\n",
"nsites": 8,
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"elements": [
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],
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"density": 8.032122030537955,
"density_atomic": 0.03115566092554793,
"volume": 256.7751658075058,
"volume_molar": 19.329202402064237,
"formula_full": "Tb6 Nd2",
"formula_reduced": "Tb3Nd",
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"spacegroup": 194
},
{
"id": "jvasp-10563",
"created_at": "2022-09-04T14:36:50.958351Z",
"updated_at": "2022-09-04T14:36:50.958373Z",
"structure_string": "Rb2 Hf2 Ag2 Te6\n1.0\n0.000000 8.984213 -0.068332\n4.224207 0.000000 0.000000\n0.000000 -4.056343 -10.118002\nRb Hf Ag Te\n2 2 2 6\ndirect\n0.743767 0.750001 0.711921 Rb\n0.256232 0.250000 0.288079 Rb\n0.696548 0.250000 0.166378 Hf\n0.303451 0.750001 0.833622 Hf\n0.072930 0.250000 0.601827 Ag\n0.927070 0.750001 0.398172 Ag\n0.731606 0.250000 0.435178 Te\n0.904100 0.750001 0.135107 Te\n0.453377 0.750001 0.126274 Te\n0.268393 0.750001 0.564822 Te\n0.546623 0.250000 0.873726 Te\n0.095900 0.250000 0.864892 Te\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Hf",
"Ag",
"Te"
],
"chemical_system": "Ag-Hf-Rb-Te",
"density": 6.506817632412674,
"density_atomic": 0.031155808330680802,
"volume": 385.16092641971204,
"volume_molar": 19.329110951262575,
"formula_full": "Rb2 Hf2 Ag2 Te6",
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"formula_anonymous": "ABCD3",
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"spacegroup": 11
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{
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"created_at": "2022-09-04T14:37:49.620062Z",
"updated_at": "2022-09-04T14:37:49.620077Z",
"structure_string": "Ba3 Al2 Ge2\n1.0\n4.262379 0.000000 -0.904002\n-0.264925 4.971859 -1.249126\n0.019693 0.012319 10.593434\nBa Al Ge\n3 2 2\ndirect\n0.814921 0.814928 0.629844 Ba\n0.500000 -0.000000 0.000000 Ba\n0.185078 0.185072 0.370156 Ba\n0.934948 0.434955 0.869898 Al\n0.065051 0.565046 0.130102 Al\n0.363925 0.363936 0.727852 Ge\n0.636073 0.636065 0.272148 Ge\n",
"nsites": 7,
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"elements": [
"Ba",
"Al",
"Ge"
],
"chemical_system": "Al-Ba-Ge",
"density": 4.517916536723504,
"density_atomic": 0.031159228252401205,
"volume": 224.65254733838162,
"volume_molar": 19.326989459489965,
"formula_full": "Ba3 Al2 Ge2",
"formula_reduced": "Ba3(AlGe)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.6101936299999999,
"spacegroup": 71
},
{
"id": "jvasp-28839",
"created_at": "2022-09-04T14:36:44.550552Z",
"updated_at": "2022-09-04T14:36:44.550564Z",
"structure_string": "Te4 W4 S4\n1.0\n3.367297 0.000000 -0.000000\n-1.683648 2.916158 -0.000074\n0.000004 -0.000990 39.215352\nTe W S\n4 4 4\ndirect\n0.333373 0.666749 0.707159 Te\n0.666653 0.333307 0.419961 Te\n0.666676 0.333352 0.516969 Te\n0.333326 0.666656 0.610376 Te\n0.333296 0.666593 0.093965 W\n0.333331 0.666663 0.468495 W\n0.666688 0.333377 0.281658 W\n0.666683 0.333369 0.658825 W\n0.333366 0.666732 0.320378 S\n0.666617 0.333233 0.055339 S\n0.666644 0.333286 0.132667 S\n0.333343 0.666687 0.242956 S\n",
"nsites": 12,
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"elements": [
"Te",
"W",
"S"
],
"chemical_system": "S-Te-W",
"density": 5.925071018980793,
"density_atomic": 0.03116252604907914,
"volume": 385.07789712235484,
"volume_molar": 19.324944166963498,
"formula_full": "Te4 W4 S4",
"formula_reduced": "TeWS",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-28506",
"created_at": "2022-09-04T14:36:04.523975Z",
"updated_at": "2022-09-04T14:36:04.524000Z",
"structure_string": "Te2 Mo1 W2 Se2 S2\n1.0\n3.350600 0.000000 -0.000000\n-1.675299 2.901688 -0.000029\n-0.000000 -0.000282 29.702367\nTe Mo W Se S\n2 1 2 2 2\ndirect\n0.333330 0.666660 0.408286 Te\n0.333302 0.666603 0.280340 Te\n0.666649 0.333298 0.344346 Mo\n0.333312 0.666625 0.117276 W\n0.333352 0.666703 0.579359 W\n0.666690 0.333380 0.522963 Se\n0.666676 0.333350 0.635658 Se\n0.666653 0.333303 0.066010 S\n0.666642 0.333284 0.168603 S\n",
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"elements": [
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"W",
"Se",
"S"
],
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"density": 5.410212965818441,
"density_atomic": 0.0311657908421945,
"volume": 288.7781685236477,
"volume_molar": 19.322919769604535,
"formula_full": "Te2 Mo1 W2 Se2 S2",
"formula_reduced": "Te2MoW2(SeS)2",
"formula_anonymous": "AB2C2D2E2",
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{
"id": "jvasp-106772",
"created_at": "2022-09-04T14:37:03.432930Z",
"updated_at": "2022-09-04T14:37:03.432940Z",
"structure_string": "Mn1 Zn1 Cd1 Te3\n1.0\n4.388467 0.009273 -9.064689\n-0.221299 4.372102 -9.069899\n-0.008769 -0.009273 10.071105\nMn Zn Cd Te\n1 1 1 3\ndirect\n0.670536 0.670535 -0.000001 Mn\n0.330332 0.330331 -0.000000 Zn\n0.998739 0.998737 -0.000001 Cd\n0.751732 0.251731 0.500000 Te\n0.090572 0.590572 0.500000 Te\n0.408093 0.908093 0.499999 Te\n",
"nsites": 6,
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"elements": [
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],
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"volume": 192.5187119336892,
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"formula_full": "Mn1 Zn1 Cd1 Te3",
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"formula_anonymous": "ABCD3",
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},
{
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"created_at": "2022-09-04T14:36:51.984184Z",
"updated_at": "2022-09-04T14:36:51.984210Z",
"structure_string": "Na2 Al1 Hg1 Br6\n1.0\n6.654774 -0.000000 3.842136\n2.218258 6.274181 3.842136\n-0.000000 -0.000000 7.684271\nNa Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.767789 0.232211 0.232212 Br\n0.232211 0.232211 0.767789 Br\n0.232211 0.767789 0.767789 Br\n0.232211 0.767789 0.232212 Br\n0.767789 0.232211 0.767790 Br\n0.767789 0.767789 0.232212 Br\n",
"nsites": 10,
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"formula_full": "Na2 Al1 Hg1 Br6",
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{
"id": "jvasp-993",
"created_at": "2022-09-04T14:37:50.311825Z",
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"structure_string": "Sb2\n1.0\n3.862825 0.009020 2.527754\n1.371371 3.611211 2.527754\n0.013040 0.009020 4.616361\nSb\n2\ndirect\n0.267199 0.267199 0.267199 Sb\n0.732800 0.732801 0.732800 Sb\n",
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}
]
}