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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=986",
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"results": [
{
"id": "jvasp-96886",
"created_at": "2022-09-04T14:36:19.337594Z",
"updated_at": "2022-09-04T14:36:19.337624Z",
"structure_string": "Y4 Si4 O14\n1.0\n4.708312 0.511039 0.000000\n-0.011775 5.614642 0.000000\n0.000000 0.000000 10.901747\nY Si O\n4 4 14\ndirect\n0.112854 0.092793 0.150420 Y\n0.887147 0.907207 0.849580 Y\n0.112854 0.592793 0.349580 Y\n0.887146 0.407207 0.650420 Y\n0.640833 0.143787 0.387617 Si\n0.359167 0.356213 0.887618 Si\n0.359168 0.856213 0.612383 Si\n0.640833 0.643787 0.112383 Si\n0.382415 0.752210 0.203112 O\n0.617586 0.747789 0.703112 O\n0.617585 0.247790 0.796888 O\n0.794381 0.867415 0.051465 O\n0.500000 0.500000 0.000000 O\n0.879069 0.459171 0.182511 O\n0.120931 0.040829 0.682511 O\n0.120931 0.540829 0.817490 O\n0.879070 0.959171 0.317489 O\n0.794380 0.367416 0.448535 O\n0.205620 0.132585 0.948535 O\n0.205620 0.632584 0.551465 O\n0.500000 0.000000 0.500000 O\n0.382415 0.252210 0.296888 O\n",
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"formula_full": "Y4 Si4 O14",
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{
"id": "jvasp-47725",
"created_at": "2022-09-04T14:38:33.289472Z",
"updated_at": "2022-09-04T14:38:33.289500Z",
"structure_string": "Li2 Fe2 P4 H2 O16\n1.0\n0.000000 4.757690 0.011371\n7.998810 0.000000 0.000000\n0.000000 -1.858020 -7.194030\nLi Fe P H O\n2 2 4 2 16\ndirect\n0.856562 0.625515 0.396615 Li\n0.143438 0.125515 0.603385 Li\n0.252087 0.499274 0.764451 Fe\n0.747913 -0.000726 0.235549 Fe\n0.879446 0.648576 0.011504 P\n0.120554 0.148576 0.988496 P\n0.377080 0.847442 0.501151 P\n0.622920 0.347442 0.498849 P\n0.717134 0.985804 0.736695 H\n0.282866 0.485804 0.263305 H\n0.607330 0.827859 0.385193 O\n0.499652 0.446619 0.316210 O\n0.378887 0.048154 0.113312 O\n0.209759 0.325514 0.948400 O\n0.500348 0.946619 0.683790 O\n0.392670 0.327859 0.614807 O\n0.106333 0.665080 0.890561 O\n0.893667 0.165080 0.109439 O\n0.263891 0.677961 0.542395 O\n0.124676 0.963327 0.396479 O\n0.000278 0.553620 0.190830 O\n0.736109 0.177961 0.457606 O\n0.790241 0.825514 0.051600 O\n0.875324 0.463327 0.603521 O\n0.999722 0.053620 0.809170 O\n0.621113 0.548154 0.886688 O\n",
"nsites": 26,
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"elements": [
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"density_atomic": 0.09502715881851383,
"volume": 273.60599141615614,
"volume_molar": 6.337283819567092,
"formula_full": "Li2 Fe2 P4 H2 O16",
"formula_reduced": "LiFeP2HO8",
"formula_anonymous": "ABCD2E8",
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"spacegroup": 4
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{
"id": "jvasp-9731",
"created_at": "2022-09-04T14:37:06.053872Z",
"updated_at": "2022-09-04T14:37:06.053895Z",
"structure_string": "Y2 Si2 O7\n1.0\n4.733562 -0.001066 -0.590446\n-0.895956 5.418376 -1.477386\n-0.003493 0.000031 5.687196\nY Si O\n2 2 7\ndirect\n0.000000 0.306199 0.693801 Y\n-0.000000 0.693801 0.306199 Y\n0.413166 0.218763 0.218763 Si\n0.586833 0.781236 0.781236 Si\n0.777637 0.913588 0.613799 O\n0.222362 0.386200 0.086411 O\n0.222362 0.086412 0.386200 O\n0.777637 0.613799 0.913588 O\n0.500000 -0.000000 -0.000000 O\n0.284382 0.618920 0.618920 O\n0.715617 0.381080 0.381079 O\n",
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"elements": [
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"density": 3.939050723276937,
"density_atomic": 0.075419916893698,
"volume": 145.8500679005541,
"volume_molar": 7.984814897751768,
"formula_full": "Y2 Si2 O7",
"formula_reduced": "Y2Si2O7",
"formula_anonymous": "A2B2C7",
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"spacegroup": 12
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{
"id": "jvasp-43019",
"created_at": "2022-09-04T14:38:09.416707Z",
"updated_at": "2022-09-04T14:38:09.416735Z",
"structure_string": "Ti2 Ni2 P4 O16\n1.0\n0.000000 4.808219 0.020906\n5.792454 0.000000 0.000000\n0.000000 -0.163441 -9.841939\nTi Ni P O\n2 2 4 16\ndirect\n0.546924 0.250000 0.229064 Ti\n0.453076 0.749999 0.770936 Ti\n0.055342 0.749999 0.272761 Ni\n0.944658 0.250000 0.727239 Ni\n0.583717 0.749999 0.094030 P\n0.126530 0.250000 0.411497 P\n0.873470 0.749999 0.588502 P\n0.416283 0.250000 0.905970 P\n0.269137 0.039543 0.831886 O\n0.269137 0.460457 0.831886 O\n0.723266 0.546385 0.665420 O\n0.723266 0.953614 0.665420 O\n0.184985 0.749999 0.628045 O\n0.172899 0.250000 0.562275 O\n0.827101 0.749999 0.437725 O\n0.730863 0.539542 0.168113 O\n0.276734 0.453614 0.334580 O\n0.276734 0.046385 0.334580 O\n0.727883 0.250000 0.892881 O\n0.730863 0.960457 0.168113 O\n0.272118 0.749999 0.107118 O\n0.342178 0.250000 0.058352 O\n0.815015 0.250000 0.371955 O\n0.657823 0.749999 0.941648 O\n",
"nsites": 24,
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"elements": [
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"density_atomic": 0.08756188417818445,
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"formula_full": "Ti2 Ni2 P4 O16",
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"spacegroup": 11
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{
"id": "jvasp-15645",
"created_at": "2022-09-04T14:36:08.499911Z",
"updated_at": "2022-09-04T14:36:08.499937Z",
"structure_string": "Ho1 Co2 Si2\n1.0\n3.642476 -0.000000 -1.346602\n-0.497832 3.608295 -1.346602\n-0.008794 -0.010091 5.575847\nHo Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.250001 0.749999 0.500001 Co\n0.750001 0.250000 0.500001 Co\n0.628166 0.628164 0.256329 Si\n0.371837 0.371835 0.743672 Si\n",
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"elements": [
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"Si"
],
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"density": 7.691036526886483,
"density_atomic": 0.06831993609541441,
"volume": 73.18508016484513,
"volume_molar": 8.814617085691628,
"formula_full": "Ho1 Co2 Si2",
"formula_reduced": "Ho(CoSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.872728913333334,
"spacegroup": 139
},
{
"id": "jvasp-86268",
"created_at": "2022-09-04T14:35:52.905467Z",
"updated_at": "2022-09-04T14:35:52.905488Z",
"structure_string": "Ce6 Si2 Pt10\n1.0\n6.520493 0.000000 -3.224329\n-1.673187 6.511273 -3.383652\n0.088961 0.030526 8.385195\nCe Si Pt\n6 2 10\ndirect\n0.548609 0.271373 0.097219 Ce\n0.249999 0.879902 0.500000 Ce\n0.451390 0.728628 0.902782 Ce\n0.750000 0.120098 0.500000 Ce\n0.951390 0.674154 0.902781 Ce\n0.048609 0.325846 0.097219 Ce\n0.250000 0.278523 0.500000 Si\n0.749999 0.721477 0.500000 Si\n0.310479 0.041915 0.208567 Pt\n0.810479 0.666651 0.208567 Pt\n0.601913 0.333349 0.791434 Pt\n0.689520 0.958085 0.791434 Pt\n0.898086 0.041915 0.208567 Pt\n0.189521 0.333349 0.791434 Pt\n0.101913 0.958085 0.791434 Pt\n-0.000000 0.500000 0.500000 Pt\n0.398086 0.666651 0.208567 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 18,
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"elements": [
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"Si",
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],
"chemical_system": "Ce-Pt-Si",
"density": 13.1824604931807,
"density_atomic": 0.05017929823008952,
"volume": 358.7136654933623,
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"formula_full": "Ce6 Si2 Pt10",
"formula_reduced": "Ce3SiPt5",
"formula_anonymous": "AB3C5",
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"spacegroup": 74
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{
"id": "jvasp-86870",
"created_at": "2022-09-04T14:36:14.591126Z",
"updated_at": "2022-09-04T14:36:14.591155Z",
"structure_string": "Ce6 Si2 Pt10\n1.0\n6.520392 0.000000 -3.224280\n-1.673354 6.511922 -3.383988\n0.089144 0.030266 8.385438\nCe Si Pt\n6 2 10\ndirect\n0.548624 0.271399 0.097250 Ce\n0.250000 0.879911 0.500000 Ce\n0.451375 0.728601 0.902750 Ce\n0.750000 0.120090 0.500000 Ce\n0.951375 0.674150 0.902750 Ce\n0.048625 0.325851 0.097250 Ce\n0.250000 0.278510 0.500000 Si\n0.750000 0.721490 0.500000 Si\n0.310471 0.041900 0.208556 Pt\n0.810471 0.666656 0.208556 Pt\n0.601916 0.333344 0.791444 Pt\n0.689529 0.958101 0.791444 Pt\n0.898083 0.041900 0.208556 Pt\n0.189528 0.333344 0.791444 Pt\n0.101917 0.958101 0.791444 Pt\n0.000000 0.500000 0.500000 Pt\n0.398083 0.666656 0.208556 Pt\n0.500000 0.500000 0.500000 Pt\n",
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"formula_full": "Ce6 Si2 Pt10",
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{
"id": "jvasp-50902",
"created_at": "2022-09-04T14:36:54.258636Z",
"updated_at": "2022-09-04T14:36:54.258645Z",
"structure_string": "Mn2 P4\n1.0\n2.760859 0.000000 0.000000\n0.000000 5.089573 0.000000\n0.000000 -0.000000 5.818412\nMn P\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.172504 0.373046 P\n0.500000 0.327495 0.873045 P\n0.500000 0.672504 0.126954 P\n0.000000 0.827495 0.626954 P\n",
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"volume": 81.75795979270869,
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"formula_full": "Mn2 P4",
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"spacegroup": 58
},
{
"id": "jvasp-37220",
"created_at": "2022-09-04T14:38:00.583242Z",
"updated_at": "2022-09-04T14:38:00.583263Z",
"structure_string": "Sm1 Lu1 Ru2\n1.0\n0.000000 3.387656 3.387656\n3.387656 0.000000 3.387656\n3.387656 3.387656 0.000000\nSm Lu Ru\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
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"spacegroup": 225
},
{
"id": "jvasp-119203",
"created_at": "2022-09-04T14:38:36.482040Z",
"updated_at": "2022-09-04T14:38:36.482052Z",
"structure_string": "Ce1 Th3 O8\n1.0\n3.903827 0.000131 12.470056\n1.906407 3.406681 12.470056\n0.000224 0.000131 13.066834\nCe Th O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.251207 0.251206 0.251206 Th\n0.500001 0.499999 0.500000 Th\n0.748795 0.748793 0.748794 Th\n0.812141 0.812139 0.812140 O\n0.061065 0.061065 0.061065 O\n0.313571 0.313570 0.313571 O\n0.563310 0.563309 0.563309 O\n0.436691 0.436690 0.436691 O\n0.686430 0.686429 0.686430 O\n0.938936 0.938934 0.938935 O\n0.187860 0.187860 0.187860 O\n",
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"spacegroup": 166
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{
"id": "jvasp-78587",
"created_at": "2022-09-04T14:36:34.211619Z",
"updated_at": "2022-09-04T14:36:34.211645Z",
"structure_string": "V1 Te1 Ru1\n1.0\n3.725425 -0.000000 2.150876\n1.241808 3.512365 2.150876\n-0.000000 -0.000000 4.301751\nV Te Ru\n1 1 1\ndirect\n0.500001 0.499999 0.500001 V\n0.000000 0.000000 0.000000 Te\n0.250001 0.250000 0.250000 Ru\n",
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],
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},
{
"id": "jvasp-110307",
"created_at": "2022-09-04T14:38:14.756205Z",
"updated_at": "2022-09-04T14:38:14.756228Z",
"structure_string": "Ba2 Mn1 N2\n1.0\n3.945725 0.000000 -1.182044\n-0.355748 3.927705 -1.187506\n-0.010732 -0.001521 7.140715\nBa Mn N\n2 1 2\ndirect\n0.142272 0.142272 0.784545 Ba\n0.857726 0.857727 0.215455 Ba\n0.499999 0.499999 0.500000 Mn\n0.632698 0.632698 0.765398 N\n0.367301 0.367301 0.234602 N\n",
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],
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"volume": 110.60666560376175,
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"formula_full": "Ba2 Mn1 N2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
}
]
}