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"results": [
{
"id": "jvasp-26821",
"created_at": "2022-09-04T14:38:28.995814Z",
"updated_at": "2022-09-04T14:38:28.995846Z",
"structure_string": "Pr6 Si4 S16 Cl2\n1.0\n7.718618 -0.000000 -0.000000\n-3.859309 7.758397 -1.041598\n-0.000000 -0.044327 11.024424\nPr Si S Cl\n6 4 16 2\ndirect\n0.314157 0.387523 0.184819 Pr\n0.624116 -0.000000 0.250000 Pr\n0.073366 0.387523 0.684819 Pr\n0.926634 0.612477 0.315181 Pr\n0.375884 -0.000000 0.750000 Pr\n0.685843 0.612477 0.815180 Pr\n0.372699 0.681129 0.472450 Si\n0.691569 0.318871 0.027550 Si\n0.308431 0.681129 0.972450 Si\n0.627301 0.318871 0.527550 Si\n0.554488 0.293241 0.337762 S\n0.275680 0.871042 0.454492 S\n0.404637 0.128958 0.045508 S\n0.445512 0.706759 0.662237 S\n0.604386 0.707745 0.359248 S\n0.142141 0.429911 0.415354 S\n0.896642 0.292257 0.140752 S\n0.857859 0.570089 0.584646 S\n0.261246 0.706759 0.162238 S\n0.595363 0.871042 0.954492 S\n0.287770 0.429911 0.915354 S\n0.103358 0.707744 0.859248 S\n0.712230 0.570089 0.084646 S\n0.395614 0.292256 0.640751 S\n0.724321 0.128958 0.545507 S\n0.738754 0.293241 0.837762 S\n0.000433 -0.000000 0.250000 Cl\n-0.000433 -0.000000 0.750000 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Si",
"S",
"Cl"
],
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"density": 3.8799449554133387,
"density_atomic": 0.042435084989538054,
"volume": 659.831363761923,
"volume_molar": 14.191419108703796,
"formula_full": "Pr6 Si4 S16 Cl2",
"formula_reduced": "Pr3Si2S8Cl",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 15
},
{
"id": "jvasp-57615",
"created_at": "2022-09-04T14:38:35.823297Z",
"updated_at": "2022-09-04T14:38:35.823362Z",
"structure_string": "Pr6 Si4 S16 Br2\n1.0\n7.777897 0.000000 0.000000\n-3.888949 7.814623 -1.051381\n0.000000 -0.031972 10.984527\nPr Si S Br\n6 4 16 2\ndirect\n0.925420 0.610144 0.316590 Pr\n0.315276 0.389855 0.183410 Pr\n0.612510 0.000000 0.250000 Pr\n0.684724 0.610145 0.816590 Pr\n0.074580 0.389856 0.683411 Pr\n0.387490 0.000000 0.750000 Pr\n0.306059 0.680701 0.971729 Si\n0.693940 0.319299 0.028271 Si\n0.625358 0.319299 0.528272 Si\n0.374642 0.680701 0.471729 Si\n0.408065 0.131225 0.044589 S\n0.287346 0.431784 0.915365 S\n0.855562 0.568216 0.584635 S\n0.448054 0.704377 0.661755 S\n0.894275 0.291304 0.143619 S\n0.712654 0.568216 0.084635 S\n0.551946 0.295623 0.338245 S\n0.105725 0.708696 0.856381 S\n0.256322 0.704377 0.161755 S\n0.743678 0.295623 0.838245 S\n0.723159 0.131225 0.544590 S\n0.602971 0.708696 0.356381 S\n0.397029 0.291304 0.643619 S\n0.144438 0.431784 0.415365 S\n0.591935 0.868775 0.955411 S\n0.276841 0.868775 0.455411 S\n0.008944 0.000000 0.250000 Br\n0.991057 0.000000 0.750000 Br\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Si",
"S",
"Br"
],
"chemical_system": "Br-Pr-S-Si",
"density": 4.057183210215192,
"density_atomic": 0.041954307206477276,
"volume": 667.3927390148183,
"volume_molar": 14.354046487675642,
"formula_full": "Pr6 Si4 S16 Br2",
"formula_reduced": "Pr3Si2S8Br",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.216390775357143,
"spacegroup": 15
},
{
"id": "jvasp-103000",
"created_at": "2022-09-04T14:36:43.322482Z",
"updated_at": "2022-09-04T14:36:43.322505Z",
"structure_string": "Pr2 Si2 Ru4 C2\n1.0\n5.921797 0.007904 0.000000\n-4.597239 3.732711 -0.000000\n0.000000 0.000000 7.231775\nPr Si Ru C\n2 2 4 2\ndirect\n0.550640 0.449359 0.250000 Pr\n0.449359 0.550640 0.750001 Pr\n0.272004 0.727995 0.250000 Si\n0.727995 0.272003 0.750001 Si\n0.835193 0.164805 0.058395 Ru\n0.164806 0.835193 0.941606 Ru\n0.164806 0.835193 0.558395 Ru\n0.835193 0.164805 0.441605 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Si",
"Ru",
"C"
],
"chemical_system": "C-Pr-Ru-Si",
"density": 7.9470295685634325,
"density_atomic": 0.06245452028306054,
"volume": 160.11651285891452,
"volume_molar": 9.642441784367334,
"formula_full": "Pr2 Si2 Ru4 C2",
"formula_reduced": "PrSiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.12052989,
"spacegroup": 63
},
{
"id": "jvasp-101662",
"created_at": "2022-09-04T14:37:01.209540Z",
"updated_at": "2022-09-04T14:37:01.209572Z",
"structure_string": "Pr2 Si2 Os4 C2\n1.0\n5.936073 -0.007205 0.000000\n-4.582142 3.773724 0.000000\n0.000000 0.000000 7.220575\nPr Si Os C\n2 2 4 2\ndirect\n0.549714 0.450284 0.250000 Pr\n0.450284 0.549714 0.750000 Pr\n0.270838 0.729160 0.250000 Si\n0.729160 0.270838 0.750000 Si\n0.833921 0.166077 0.059234 Os\n0.166077 0.833921 0.940766 Os\n0.166077 0.833921 0.559233 Os\n0.833921 0.166077 0.440766 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Os",
"C"
],
"chemical_system": "C-Os-Pr-Si",
"density": 11.545168333391576,
"density_atomic": 0.061915498945840954,
"volume": 161.5104484379146,
"volume_molar": 9.72638654703844,
"formula_full": "Pr2 Si2 Os4 C2",
"formula_reduced": "PrSiOs2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.759111690000001,
"spacegroup": 63
},
{
"id": "jvasp-18137",
"created_at": "2022-09-04T14:38:12.461851Z",
"updated_at": "2022-09-04T14:38:12.461883Z",
"structure_string": "Pr1 Si2 Mo2 C1\n1.0\n4.241813 -0.000000 0.000000\n0.000000 4.241813 -0.000000\n0.000000 -0.000000 5.473361\nPr Si Mo C\n1 2 2 1\ndirect\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.721704 Si\n0.500000 0.500000 0.278296 Si\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Mo",
"C"
],
"chemical_system": "C-Mo-Pr-Si",
"density": 6.760878684359307,
"density_atomic": 0.060924801029154346,
"volume": 98.48206146998855,
"volume_molar": 9.884547275120728,
"formula_full": "Pr1 Si2 Mo2 C1",
"formula_reduced": "PrSi2Mo2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.728436474999999,
"spacegroup": 123
},
{
"id": "jvasp-34407",
"created_at": "2022-09-04T14:38:08.690623Z",
"updated_at": "2022-09-04T14:38:08.690649Z",
"structure_string": "Pr6 Si4 Cl2 O16\n1.0\n6.488877 -0.000000 -0.000000\n-3.244438 7.068846 -1.049807\n-0.000000 0.005002 8.875686\nPr Si Cl O\n6 4 2 16\ndirect\n0.079785 0.370587 0.171150 Pr\n0.290802 0.370587 0.671150 Pr\n0.574487 -0.000000 0.750000 Pr\n0.920215 0.629413 0.828851 Pr\n0.709199 0.629413 0.328850 Pr\n0.425513 -0.000000 0.250000 Pr\n0.396132 0.683638 0.974544 Si\n0.603869 0.316363 0.025456 Si\n0.712494 0.316362 0.525457 Si\n0.287506 0.683638 0.474544 Si\n0.024941 -0.000000 0.750000 Cl\n0.975060 -0.000000 0.250000 Cl\n0.295916 0.476288 0.418820 O\n0.593030 0.710939 0.853942 O\n0.406971 0.289061 0.146059 O\n0.549324 0.845480 0.467674 O\n0.767302 0.308458 0.345444 O\n0.117910 0.710939 0.353941 O\n0.819628 0.523712 0.081180 O\n0.541157 0.308458 0.845444 O\n0.232698 0.691542 0.654556 O\n0.704084 0.523712 0.581180 O\n0.703846 0.154520 0.032326 O\n0.180372 0.476288 0.918820 O\n0.450676 0.154520 0.532327 O\n0.458844 0.691542 0.154556 O\n0.882091 0.289061 0.646059 O\n0.296155 0.845480 0.967674 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pr-Si",
"density": 5.239491923780386,
"density_atomic": 0.06877042249447556,
"volume": 407.1517810182028,
"volume_molar": 8.756876199915405,
"formula_full": "Pr6 Si4 Cl2 O16",
"formula_reduced": "Pr3Si2ClO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.4735684869642856,
"spacegroup": 15
},
{
"id": "jvasp-98784",
"created_at": "2022-09-04T14:35:54.300910Z",
"updated_at": "2022-09-04T14:35:54.300930Z",
"structure_string": "Pr6 Si4 Cl6 O14\n1.0\n5.328621 -0.085728 0.000000\n-2.687042 7.502149 0.000000\n0.000000 0.000000 12.144017\nPr Si Cl O\n6 4 6 14\ndirect\n0.325499 0.530769 0.895847 Pr\n0.610651 0.081594 0.877086 Pr\n0.389349 0.918406 0.377086 Pr\n0.144089 0.202719 0.620049 Pr\n0.855911 0.797281 0.120049 Pr\n0.674501 0.469231 0.395847 Pr\n0.930870 0.818641 0.822855 Si\n0.276708 0.563662 0.210507 Si\n0.069130 0.181358 0.322855 Si\n0.723293 0.436338 0.710508 Si\n0.127167 0.168139 0.993436 Cl\n0.787413 0.442771 0.996652 Cl\n0.481569 0.992311 0.619032 Cl\n0.872833 0.831861 0.493436 Cl\n0.212587 0.557228 0.496652 Cl\n0.518431 0.007689 0.119031 Cl\n0.219020 0.807720 0.859990 O\n0.724404 0.804704 0.927114 O\n0.750990 0.639990 0.750447 O\n0.022032 0.619124 0.248593 O\n0.249010 0.360009 0.250446 O\n0.457758 0.306445 0.780132 O\n0.542243 0.693555 0.280132 O\n0.780980 0.192279 0.359990 O\n0.977968 0.380875 0.748594 O\n0.275596 0.195296 0.427114 O\n0.370443 0.599417 0.083846 O\n0.941796 0.001983 0.762437 O\n0.058204 -0.001983 0.262437 O\n0.629557 0.400582 0.583846 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Cl-O-Pr-Si",
"density": 4.797486166080255,
"density_atomic": 0.06215386616958193,
"volume": 482.6731118889268,
"volume_molar": 9.689084736207823,
"formula_full": "Pr6 Si4 Cl6 O14",
"formula_reduced": "Pr3Si2Cl3O7",
"formula_anonymous": "A2B3C3D7",
"energy_above_hull": 2.152468896833333,
"spacegroup": 4
},
{
"id": "jvasp-49330",
"created_at": "2022-09-04T14:38:08.791194Z",
"updated_at": "2022-09-04T14:38:08.791227Z",
"structure_string": "Pr6 Si2 Ag2 Se14\n1.0\n5.390671 -9.336917 -0.000000\n5.390671 9.336917 -0.000000\n-0.000000 0.000000 6.077634\nPr Si Ag Se\n6 2 2 14\ndirect\n0.642393 0.873733 0.259870 Pr\n0.873733 0.231339 0.759869 Pr\n0.768661 0.642393 0.759869 Pr\n0.231339 0.357606 0.259870 Pr\n0.126267 0.768661 0.259870 Pr\n0.357606 0.126267 0.759869 Pr\n0.333333 0.666667 0.672514 Si\n0.666667 0.333333 0.172515 Si\n0.000000 0.000000 0.797746 Ag\n0.000000 0.000000 0.297746 Ag\n0.094950 0.824510 0.773999 Se\n0.270442 0.094950 0.273999 Se\n0.666667 0.333333 0.546131 Se\n0.333333 0.666667 0.046132 Se\n0.585683 0.108118 0.022713 Se\n0.477565 0.585682 0.522713 Se\n0.108118 0.522435 0.522713 Se\n0.729558 0.905049 0.773999 Se\n0.522435 0.414317 0.022713 Se\n0.414317 0.891882 0.522713 Se\n0.175490 0.270442 0.773999 Se\n0.891882 0.477565 0.022713 Se\n0.905049 0.175490 0.273999 Se\n0.824509 0.729558 0.273999 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Ag",
"Se"
],
"chemical_system": "Ag-Pr-Se-Si",
"density": 6.033055390213216,
"density_atomic": 0.039228380382787274,
"volume": 611.8019598517704,
"volume_molar": 15.351489664463458,
"formula_full": "Pr6 Si2 Ag2 Se14",
"formula_reduced": "Pr3SiAgSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.6803307480555554,
"spacegroup": 173
},
{
"id": "jvasp-40416",
"created_at": "2022-09-04T14:37:50.516947Z",
"updated_at": "2022-09-04T14:37:50.516967Z",
"structure_string": "Pr6 Si2 Ag2 S14\n1.0\n5.185450 -8.981463 0.000000\n5.185450 8.981463 0.000000\n-0.000000 0.000000 5.793634\nPr Si Ag S\n6 2 2 14\ndirect\n0.763287 0.122967 0.250128 Pr\n0.236713 0.877033 0.750127 Pr\n0.877033 0.640320 0.250128 Pr\n0.359680 0.236713 0.250128 Pr\n0.640320 0.763287 0.750127 Pr\n0.122967 0.359680 0.750127 Pr\n0.666667 0.333333 0.664441 Si\n0.333333 0.666667 0.164441 Si\n0.000000 0.000000 0.284976 Ag\n0.000000 0.000000 0.784976 Ag\n0.268070 0.177842 0.762359 S\n0.909771 0.731930 0.762359 S\n0.177842 0.909771 0.262359 S\n0.822158 0.090229 0.762359 S\n0.409433 0.524773 0.019768 S\n0.475227 0.884660 0.019768 S\n0.333333 0.666667 0.529881 S\n0.590567 0.475227 0.519767 S\n0.115340 0.590567 0.019768 S\n0.884660 0.409433 0.519767 S\n0.731930 0.822158 0.262359 S\n0.666667 0.333333 0.029882 S\n0.524773 0.115340 0.519767 S\n0.090229 0.268070 0.262359 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Si",
"Ag",
"S"
],
"chemical_system": "Ag-Pr-S-Si",
"density": 4.81947000176697,
"density_atomic": 0.044473023276637665,
"volume": 539.6529903243064,
"volume_molar": 13.541109455366215,
"formula_full": "Pr6 Si2 Ag2 S14",
"formula_reduced": "Pr3SiAgS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.017897950833333,
"spacegroup": 173
},
{
"id": "jvasp-24968",
"created_at": "2022-09-04T14:38:16.483514Z",
"updated_at": "2022-09-04T14:38:16.483543Z",
"structure_string": "Pr8 S6 N2 Cl6\n1.0\n4.692171 -8.127079 0.000000\n4.692171 8.127079 -0.000000\n-0.000000 -0.000000 6.919746\nPr S N Cl\n8 6 2 6\ndirect\n0.333333 0.666667 0.211753 Pr\n0.799116 0.200884 0.247965 Pr\n0.200884 0.799116 0.747965 Pr\n0.401770 0.200884 0.247965 Pr\n0.200884 0.401770 0.747965 Pr\n0.598230 0.799115 0.747965 Pr\n0.666667 0.333333 0.711753 Pr\n0.799115 0.598230 0.247965 Pr\n0.531129 0.468871 0.968308 S\n0.062259 0.531129 0.468307 S\n0.468871 0.937741 0.468307 S\n0.531129 0.062259 0.968308 S\n0.468871 0.531129 0.468307 S\n0.937741 0.468871 0.968308 S\n0.333333 0.666667 0.867862 N\n0.666667 0.333333 0.367862 N\n0.130535 0.869465 0.139703 Cl\n0.130535 0.261069 0.139703 Cl\n0.738930 0.869465 0.139703 Cl\n0.869465 0.738930 0.639704 Cl\n0.261069 0.130535 0.639704 Cl\n0.869465 0.130535 0.639704 Cl\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-Pr-S",
"density": 4.909663585608857,
"density_atomic": 0.04168638349043434,
"volume": 527.7502665840101,
"volume_molar": 14.446301779529241,
"formula_full": "Pr8 S6 N2 Cl6",
"formula_reduced": "Pr4S3NCl3",
"formula_anonymous": "AB3C3D4",
"energy_above_hull": 1.7661922593181818,
"spacegroup": 186
},
{
"id": "jvasp-35534",
"created_at": "2022-09-04T14:37:41.406236Z",
"updated_at": "2022-09-04T14:37:41.406264Z",
"structure_string": "Pr2 Re2 Si2 C1\n1.0\n-0.000000 -4.097474 -0.000000\n4.445370 -2.048737 -3.467032\n4.438077 -2.048737 3.776313\nPr Re Si C\n2 2 2 1\ndirect\n0.428633 0.838607 0.304128 Pr\n0.571367 0.161394 0.695872 Pr\n0.797230 0.317782 0.087757 Re\n0.202770 0.682219 0.912243 Re\n0.847457 0.601693 0.703394 Si\n0.152544 0.398307 0.296606 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
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"elements": [
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"Re",
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],
"chemical_system": "C-Pr-Re-Si",
"density": 9.099370039852378,
"density_atomic": 0.053097725613782606,
"volume": 131.83238865852675,
"volume_molar": 11.341617160409653,
"formula_full": "Pr2 Re2 Si2 C1",
"formula_reduced": "Pr2Re2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.740078985714287,
"spacegroup": 12
},
{
"id": "jvasp-90833",
"created_at": "2022-09-04T14:35:59.512608Z",
"updated_at": "2022-09-04T14:35:59.512634Z",
"structure_string": "Pr2 P2 Os2 O2\n1.0\n4.079233 0.000000 0.000000\n0.000000 4.079233 0.000000\n-0.000000 0.000000 8.312382\nPr P Os O\n2 2 2 2\ndirect\n0.749999 0.749999 0.856101 Pr\n0.250000 0.250000 0.143899 Pr\n0.749999 0.749999 0.354692 P\n0.250000 0.250000 0.645308 P\n0.749999 0.250000 0.500000 Os\n0.250000 0.749999 0.500000 Os\n0.749999 0.250000 0.000000 O\n0.250000 0.749999 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
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],
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"density": 9.078532891548054,
"density_atomic": 0.05783722787179727,
"volume": 138.31921574341186,
"volume_molar": 10.412222337745428,
"formula_full": "Pr2 P2 Os2 O2",
"formula_reduced": "PrPOsO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.7771159625,
"spacegroup": 129
}
]
}