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{
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"results": [
{
"id": "mp-1216484",
"created_at": "2022-09-04T14:47:19.104185Z",
"structure_string": "Y4 Fe29 Si5\n1.0\n4.209842 2.431401 4.145299\n-4.203542 2.383103 4.166621\n-0.077464 -9.669542 8.335001\nY Fe Si\n4 29 5\ndirect\n0.653684 0.654979 0.326220 Y\n0.659477 0.650373 0.826640 Y\n0.340523 0.349627 0.173360 Y\n0.346316 0.345021 0.673780 Y\n0.309518 0.694393 0.998967 Fe\n0.300041 0.700126 0.499767 Fe\n0.690538 0.003179 0.151751 Fe\n0.699727 0.999813 0.651223 Fe\n0.998951 0.296537 0.351446 Fe\n0.000849 0.289999 0.855219 Fe\n0.300273 0.000187 0.348777 Fe\n0.309462 0.996821 0.848249 Fe\n0.999151 0.710001 0.144781 Fe\n0.001049 0.703463 0.648554 Fe\n0.699959 0.299874 0.500233 Fe\n0.690482 0.305607 0.001033 Fe\n0.339247 0.339095 0.421831 Fe\n0.336243 0.335301 0.924960 Fe\n0.335530 0.849501 0.167540 Fe\n0.340293 0.844793 0.669518 Fe\n0.835914 0.344409 0.171090 Fe\n0.844807 0.339345 0.670703 Fe\n0.663757 0.664699 0.075040 Fe\n0.660753 0.660905 0.578169 Fe\n0.659707 0.155207 0.330482 Fe\n0.664470 0.150499 0.832460 Fe\n0.155193 0.660655 0.329297 Fe\n0.164086 0.655591 0.828910 Fe\n0.998200 0.001366 0.249685 Fe\n0.001800 0.998634 0.750315 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Si\n0.898844 0.898517 0.449344 Si\n0.924371 0.889207 0.944717 Si\n0.075629 0.110793 0.055283 Si\n0.101156 0.101483 0.550656 Si\n",
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{
"id": "mp-675532",
"created_at": "2022-09-04T14:47:19.105260Z",
"structure_string": "La2 Ti12 O24\n1.0\n6.707377 0.000000 0.000000\n-3.201348 -6.546433 0.000000\n-1.434131 0.367543 -9.652643\nLa Ti O\n2 12 24\ndirect\n0.254191 0.558840 0.440128 La\n0.745809 0.441160 0.559872 La\n0.854360 0.438599 0.113892 Ti\n0.273814 0.108434 0.329004 Ti\n0.069400 0.906379 0.922263 Ti\n0.726186 0.891566 0.670996 Ti\n0.430150 0.925722 0.151409 Ti\n0.145640 0.561401 0.886108 Ti\n0.209569 0.970931 0.622584 Ti\n0.378952 0.400447 0.757923 Ti\n0.621048 0.599553 0.242077 Ti\n0.790431 0.029069 0.377416 Ti\n0.569850 0.074278 0.848591 Ti\n0.930600 0.093621 0.077737 Ti\n0.430632 0.562206 0.900299 O\n0.304102 0.228840 0.557142 O\n0.816820 0.988470 0.872326 O\n0.929942 0.638272 0.980684 O\n0.037624 0.218110 0.296416 O\n0.441426 0.900773 0.667431 O\n0.660657 0.153689 0.055737 O\n0.070058 0.361728 0.019316 O\n0.536812 0.598232 0.639738 O\n0.268129 0.122146 0.816707 O\n0.183180 0.011530 0.127674 O\n0.695898 0.771160 0.442858 O\n0.842463 0.125668 0.566689 O\n0.666982 0.332980 0.781253 O\n0.569368 0.437794 0.099701 O\n0.114784 0.464101 0.703159 O\n0.885216 0.535899 0.296841 O\n0.333018 0.667020 0.218747 O\n0.157537 0.874332 0.433311 O\n0.731871 0.877854 0.183293 O\n0.463188 0.401768 0.360262 O\n0.339343 0.846311 0.944263 O\n0.558574 0.099227 0.332569 O\n0.962376 0.781890 0.703584 O\n",
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"volume": 423.84170594342777,
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"formula_full": "La2 Ti12 O24",
"formula_reduced": "LaTi6O12",
"formula_anonymous": "AB6C12",
"energy": -349.76935978000006,
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"updated_at": "2021-11-28T01:38:01.691000Z",
"spacegroup": 2
},
{
"id": "mp-1074759",
"created_at": "2022-09-04T14:47:19.147724Z",
"structure_string": "Mg8 Si4\n1.0\n5.514392 0.000000 0.000000\n0.679679 6.145440 0.000000\n2.404976 0.300569 7.139983\nMg Si\n8 4\ndirect\n0.230253 0.633269 0.517616 Mg\n0.802966 0.919855 0.898247 Mg\n0.763924 0.874747 0.451338 Mg\n0.823918 0.423670 0.866111 Mg\n0.236076 0.125253 0.548662 Mg\n0.197034 0.080145 0.101753 Mg\n0.176082 0.576330 0.133889 Mg\n0.769747 0.366731 0.482384 Mg\n0.616611 0.202600 0.207688 Si\n0.359336 0.394288 0.796528 Si\n0.383389 0.797400 0.792312 Si\n0.640664 0.605712 0.203472 Si\n",
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"elements": [
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],
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"density": 2.1053833100130452,
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"volume": 241.96235122929926,
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"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -33.96120758,
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{
"id": "mp-1228797",
"created_at": "2022-09-04T14:47:19.022805Z",
"structure_string": "Ba12 Mn1 Ru5 Cl4 O24\n1.0\n2.958600 -5.124446 0.000000\n2.958600 5.124446 0.000000\n0.000000 0.000000 30.102537\nBa Mn Ru Cl O\n12 1 5 4 24\ndirect\n0.333333 0.666667 0.893162 Ba\n0.333333 0.666667 0.395067 Ba\n0.666667 0.333333 0.604933 Ba\n0.666667 0.333333 0.106838 Ba\n0.333333 0.666667 0.682042 Ba\n0.333333 0.666667 0.181682 Ba\n0.666667 0.333333 0.818318 Ba\n0.666667 0.333333 0.317958 Ba\n0.333333 0.666667 0.538356 Ba\n0.333333 0.666667 0.039632 Ba\n0.666667 0.333333 0.960368 Ba\n0.666667 0.333333 0.461644 Ba\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.912372 Ru\n0.000000 0.000000 0.410664 Ru\n0.000000 0.000000 0.589336 Ru\n0.000000 0.000000 0.087628 Ru\n0.000000 0.000000 0.000000 Ru\n0.333333 0.666667 0.789020 Cl\n0.333333 0.666667 0.289393 Cl\n0.666667 0.333333 0.710607 Cl\n0.666667 0.333333 0.210980 Cl\n0.317791 0.158896 0.879592 O\n0.321313 0.160657 0.379508 O\n0.841104 0.682209 0.879592 O\n0.839343 0.678687 0.379508 O\n0.841104 0.158896 0.879592 O\n0.839343 0.160657 0.379508 O\n0.678687 0.839343 0.620492 O\n0.682209 0.841104 0.120408 O\n0.160657 0.321313 0.620492 O\n0.158896 0.317791 0.120408 O\n0.160657 0.839343 0.620492 O\n0.158896 0.841104 0.120408 O\n0.297326 0.148663 0.540485 O\n0.309396 0.154698 0.041356 O\n0.851337 0.702674 0.540485 O\n0.845302 0.690604 0.041356 O\n0.851337 0.148663 0.540485 O\n0.845302 0.154698 0.041356 O\n0.690604 0.845302 0.958644 O\n0.702674 0.851337 0.459515 O\n0.154698 0.309396 0.958644 O\n0.148663 0.297326 0.459515 O\n0.154698 0.845302 0.958644 O\n0.148663 0.851337 0.459515 O\n",
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],
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"density": 4.973737621897802,
"density_atomic": 0.05039547734826848,
"volume": 912.7803211805573,
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"formula_full": "Ba12 Mn1 Ru5 Cl4 O24",
"formula_reduced": "Ba12MnRu5(ClO6)4",
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"energy": -318.40948402000004,
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},
{
"id": "mp-22582",
"created_at": "2022-09-04T14:47:19.028979Z",
"structure_string": "Tb3 Mn3 Ga2 Si1\n1.0\n3.578570 -6.198265 0.000000\n3.578570 6.198265 0.000000\n0.000000 0.000000 3.932850\nTb Mn Ga Si\n3 3 2 1\ndirect\n0.000000 0.596167 0.500000 Tb\n0.403833 0.403833 0.500000 Tb\n0.596167 0.000000 0.500000 Tb\n0.780264 0.780264 0.000000 Mn\n0.219736 0.000000 0.000000 Mn\n0.000000 0.219736 0.000000 Mn\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Si\n",
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"Mn",
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],
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"volume": 174.468503196585,
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"formula_full": "Tb3 Mn3 Ga2 Si1",
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{
"id": "mp-991329",
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"structure_string": "Eu1 Mo6 S8\n1.0\n5.315122 0.000000 0.000000\n0.000000 7.516718 0.000000\n0.000000 3.758359 6.509669\nEu Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Eu\n0.582418 0.438044 0.225450 Mo\n0.417582 0.561956 0.774550 Mo\n0.774550 0.582418 0.561956 Mo\n0.225450 0.417582 0.438044 Mo\n0.438044 0.774550 0.417582 Mo\n0.561956 0.225450 0.582418 Mo\n0.874472 0.254384 0.378344 S\n0.125528 0.745616 0.621656 S\n0.254384 0.621656 0.125528 S\n0.745616 0.378344 0.874472 S\n0.756947 0.756947 0.243053 S\n0.243053 0.243053 0.756947 S\n0.621656 0.874472 0.745616 S\n0.378344 0.125528 0.254384 S\n",
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{
"id": "mp-753385",
"created_at": "2022-09-04T14:47:19.033217Z",
"structure_string": "Li2 Ag4 F8\n1.0\n0.000000 4.681033 4.681033\n4.681033 0.000000 4.681033\n4.681033 4.681033 0.000000\nLi Ag F\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Li\n0.625000 0.125000 0.625000 Ag\n0.625000 0.625000 0.125000 Ag\n0.125000 0.625000 0.625000 Ag\n0.625000 0.625000 0.625000 Ag\n0.878229 0.365314 0.878229 F\n0.371771 0.371771 0.371771 F\n0.365314 0.878229 0.878229 F\n0.878229 0.878229 0.365314 F\n0.884686 0.371771 0.371771 F\n0.371771 0.371771 0.884686 F\n0.878229 0.878229 0.878229 F\n0.371771 0.884686 0.371771 F\n",
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{
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"created_at": "2022-09-04T14:47:19.033907Z",
"structure_string": "Rb1 F1\n1.0\n3.454966 0.000000 0.000000\n0.000000 3.454966 0.000000\n0.000000 0.000000 3.454966\nRb F\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 F\n",
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{
"id": "mp-1200902",
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"structure_string": "Sr8 Fe12 O24\n1.0\n5.641938 0.000000 0.000000\n0.000000 5.641938 0.000000\n0.000000 0.000000 19.432626\nSr Fe O\n8 12 24\ndirect\n0.738034 0.738034 0.411577 Sr\n0.261966 0.261966 0.411577 Sr\n0.761966 0.238034 0.911577 Sr\n0.238034 0.761966 0.911577 Sr\n0.261966 0.261966 0.588423 Sr\n0.738034 0.738034 0.588423 Sr\n0.238034 0.761966 0.088423 Sr\n0.761966 0.238034 0.088423 Sr\n0.246344 0.753656 0.500000 Fe\n0.753656 0.246344 0.500000 Fe\n0.253656 0.253656 0.000000 Fe\n0.746344 0.746344 0.000000 Fe\n0.176119 0.823881 0.295141 Fe\n0.823881 0.176119 0.295141 Fe\n0.323881 0.323881 0.795141 Fe\n0.676119 0.676119 0.795141 Fe\n0.823881 0.176119 0.704859 Fe\n0.176119 0.823881 0.704859 Fe\n0.676119 0.676119 0.204859 Fe\n0.323881 0.323881 0.204859 Fe\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.256452 0.743548 0.387094 O\n0.743548 0.256452 0.387094 O\n0.243548 0.243548 0.887094 O\n0.756452 0.756452 0.887094 O\n0.743548 0.256452 0.612906 O\n0.256452 0.743548 0.612906 O\n0.756452 0.756452 0.112906 O\n0.243548 0.243548 0.112906 O\n0.818937 0.818937 0.286006 O\n0.181063 0.181063 0.286006 O\n0.681063 0.318937 0.786006 O\n0.318937 0.681063 0.786006 O\n0.181063 0.181063 0.713994 O\n0.818937 0.818937 0.713994 O\n0.318937 0.681063 0.213994 O\n0.681063 0.318937 0.213994 O\n",
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"formula_full": "Sr8 Fe12 O24",
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{
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],
"chemical_system": "Cs-I-La-Ru",
"density": 4.870952021912913,
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"formula_full": "Cs2 La10 Ru2 I17",
"formula_reduced": "Cs2La10Ru2I17",
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},
{
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"structure_string": "Ce1 Sb1\n1.0\n4.071871 0.000000 0.000000\n0.000000 4.071871 0.000000\n0.000000 0.000000 3.379251\nCe Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n",
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"volume": 56.02843250941954,
"volume_molar": 16.870555356694226,
"formula_full": "Ce1 Sb1",
"formula_reduced": "CeSb",
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"spacegroup": 123
},
{
"id": "mp-626528",
"created_at": "2022-09-04T14:47:19.055368Z",
"structure_string": "Nb4 H4 O12\n1.0\n6.756104 0.000000 0.000000\n-2.191316 6.427614 0.000000\n-2.237442 -3.190743 5.533055\nNb H O\n4 4 12\ndirect\n0.459113 0.968477 0.982904 Nb\n0.985120 0.968388 0.476419 Nb\n0.980014 0.455265 0.974962 Nb\n0.535844 0.529628 0.536448 Nb\n0.821698 0.262102 0.441405 H\n0.179501 0.629237 0.438193 H\n0.442547 0.182135 0.627179 H\n0.517135 0.398161 0.113548 H\n0.204309 0.904544 0.691639 O\n0.798249 0.115850 0.315424 O\n0.201873 0.518517 0.319645 O\n0.796852 0.494457 0.696531 O\n0.698383 0.218420 0.915121 O\n0.278468 0.792162 0.070860 O\n0.324453 0.209646 0.522832 O\n0.715775 0.785769 0.501219 O\n0.914076 0.723946 0.196113 O\n0.081646 0.279846 0.800851 O\n0.478479 0.300172 0.187551 O\n0.523495 0.727981 0.804699 O\n",
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"elements": [
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"H",
"O"
],
"chemical_system": "H-Nb-O",
"density": 3.923003533907791,
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"volume": 240.27639176242732,
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"formula_full": "Nb4 H4 O12",
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]
}