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{
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"results": [
{
"id": "mp-1198871",
"created_at": "2022-09-04T14:39:09.411141Z",
"structure_string": "Zn6 P12 H12 O38\n1.0\n6.683141 -10.634393 0.000000\n6.683141 10.634393 0.000000\n-10.238590 0.000000 7.275023\nZn P H O\n6 12 12 38\ndirect\n0.159186 0.580512 0.925245 Zn\n0.580512 0.925245 0.159186 Zn\n0.925245 0.159186 0.580512 Zn\n0.840814 0.419488 0.074755 Zn\n0.419488 0.074755 0.840814 Zn\n0.074755 0.840814 0.419488 Zn\n0.885125 0.930704 0.265488 P\n0.930704 0.265488 0.885125 P\n0.265488 0.885125 0.930704 P\n0.114875 0.069296 0.734512 P\n0.069296 0.734512 0.114875 P\n0.734512 0.114875 0.069296 P\n0.496199 0.240018 0.702278 P\n0.240018 0.702278 0.496199 P\n0.702278 0.496199 0.240018 P\n0.503801 0.759982 0.297722 P\n0.759982 0.297722 0.503801 P\n0.297722 0.503801 0.759982 P\n0.924503 0.242286 0.192881 H\n0.242286 0.192881 0.924503 H\n0.192881 0.924503 0.242286 H\n0.075497 0.757714 0.807119 H\n0.757714 0.807119 0.075497 H\n0.807119 0.075497 0.757714 H\n0.574284 0.407264 0.775571 H\n0.407264 0.775571 0.574284 H\n0.775571 0.574284 0.407264 H\n0.425716 0.592736 0.224429 H\n0.592736 0.224429 0.425716 H\n0.224429 0.425716 0.592736 H\n0.819019 0.996461 0.317622 O\n0.996461 0.317622 0.819019 O\n0.317622 0.819019 0.996461 O\n0.180981 0.003539 0.682378 O\n0.003539 0.682378 0.180981 O\n0.682378 0.180981 0.003539 O\n0.894373 0.833205 0.304004 O\n0.833205 0.304004 0.894373 O\n0.304004 0.894373 0.833205 O\n0.105627 0.166795 0.695996 O\n0.166795 0.695996 0.105627 O\n0.695996 0.105627 0.166795 O\n0.077572 0.101629 0.374941 O\n0.101629 0.374941 0.077572 O\n0.374941 0.077572 0.101629 O\n0.922428 0.898371 0.625059 O\n0.898371 0.625059 0.922428 O\n0.625059 0.922428 0.898371 O\n0.569983 0.270279 0.859922 O\n0.270279 0.859922 0.569983 O\n0.859922 0.569983 0.270279 O\n0.430017 0.729721 0.140078 O\n0.729721 0.140078 0.430017 O\n0.140078 0.430017 0.729721 O\n0.284161 0.087373 0.537888 O\n0.087373 0.537888 0.284161 O\n0.537888 0.284161 0.087373 O\n0.715839 0.912627 0.462112 O\n0.912627 0.462112 0.715839 O\n0.462112 0.715839 0.912627 O\n0.528830 0.166799 0.601355 O\n0.166799 0.601355 0.528830 O\n0.601355 0.528830 0.166799 O\n0.471170 0.833201 0.398645 O\n0.833201 0.398645 0.471170 O\n0.398645 0.471170 0.833201 O\n0.292358 0.292358 0.292358 O\n0.707642 0.707642 0.707642 O\n",
"nsites": 68,
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"elements": [
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"P",
"H",
"O"
],
"chemical_system": "H-O-P-Zn",
"density": 2.2227667584462125,
"density_atomic": 0.06575839681312881,
"volume": 1034.088470758211,
"volume_molar": 9.157979895881017,
"formula_full": "Zn6 P12 H12 O38",
"formula_reduced": "Zn3P6H6O19",
"formula_anonymous": "A3B6C6D19",
"energy": -399.10482946,
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"updated_at": "2021-11-28T01:34:35.462000Z",
"spacegroup": 148
},
{
"id": "mp-1200664",
"created_at": "2022-09-04T14:39:08.909545Z",
"structure_string": "Sr4 Cr8 O40\n1.0\n14.997645 0.000000 0.000000\n0.000000 7.276327 0.000000\n0.000000 2.482636 8.589936\nSr Cr O\n4 8 40\ndirect\n0.382784 0.313341 0.806762 Sr\n0.882784 0.186659 0.193238 Sr\n0.617216 0.686659 0.193238 Sr\n0.117216 0.813341 0.806762 Sr\n0.629828 0.096682 0.787785 Cr\n0.129828 0.403318 0.212215 Cr\n0.370172 0.903318 0.212215 Cr\n0.870172 0.596682 0.787785 Cr\n0.358000 0.903498 0.598243 Cr\n0.858000 0.596502 0.401757 Cr\n0.642000 0.096502 0.401757 Cr\n0.142000 0.403498 0.598243 Cr\n0.268220 0.843487 0.170749 O\n0.768220 0.656513 0.829251 O\n0.731780 0.156513 0.829251 O\n0.231780 0.343487 0.170749 O\n0.439499 0.729007 0.216870 O\n0.939499 0.770993 0.783130 O\n0.560501 0.270993 0.783130 O\n0.060501 0.229007 0.216870 O\n0.400499 0.090238 0.073065 O\n0.900499 0.409762 0.926935 O\n0.599501 0.909762 0.926935 O\n0.099501 0.590238 0.073065 O\n0.371204 0.957255 0.393689 O\n0.871204 0.542745 0.606311 O\n0.628796 0.042745 0.606311 O\n0.128796 0.457255 0.393689 O\n0.251713 0.904339 0.639187 O\n0.751713 0.595661 0.360813 O\n0.748287 0.095661 0.360813 O\n0.248287 0.404339 0.639187 O\n0.407724 0.070675 0.658556 O\n0.907724 0.429325 0.341444 O\n0.592276 0.929325 0.341444 O\n0.092276 0.570675 0.658556 O\n0.399408 0.693853 0.687641 O\n0.899408 0.806147 0.312359 O\n0.600592 0.306147 0.312359 O\n0.100592 0.193853 0.687641 O\n0.462675 0.463629 0.502071 O\n0.962675 0.036371 0.497929 O\n0.537325 0.536371 0.497929 O\n0.037325 0.963629 0.502071 O\n0.225540 0.996867 0.955330 O\n0.725540 0.503133 0.044670 O\n0.774460 0.003133 0.044670 O\n0.274460 0.496867 0.955330 O\n0.478921 0.453300 0.057963 O\n0.978921 0.046700 0.942037 O\n0.521079 0.546700 0.942037 O\n0.021079 0.953300 0.057963 O\n",
"nsites": 52,
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"elements": [
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"chemical_system": "Cr-O-Sr",
"density": 2.4913824890202543,
"density_atomic": 0.055472550977153416,
"volume": 937.4005536795379,
"volume_molar": 10.856073236077142,
"formula_full": "Sr4 Cr8 O40",
"formula_reduced": "SrCr2O10",
"formula_anonymous": "AB2C10",
"energy": -339.91329705000004,
"energy_per_atom": -6.536794174038462,
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"updated_at": "2021-11-28T01:34:35.201000Z",
"spacegroup": 14
},
{
"id": "mp-752545",
"created_at": "2022-09-04T14:39:08.913745Z",
"structure_string": "Li2 Mn4 F14\n1.0\n5.532625 0.000000 0.000000\n0.000000 5.260159 0.000000\n0.000000 1.771263 9.671615\nLi Mn F\n2 4 14\ndirect\n0.083911 0.500000 0.750000 Li\n0.916089 0.500000 0.250000 Li\n0.745332 0.932950 0.929309 Mn\n0.254668 0.932950 0.429309 Mn\n0.745332 0.067050 0.570691 Mn\n0.254668 0.067050 0.070691 Mn\n0.586264 0.000000 0.750000 F\n0.413736 0.000000 0.250000 F\n0.102646 0.836659 0.605173 F\n0.897354 0.836659 0.105173 F\n0.595429 0.777744 0.519126 F\n0.404571 0.777744 0.019126 F\n0.899402 0.670581 0.865023 F\n0.100598 0.670581 0.365023 F\n0.899402 0.329419 0.634977 F\n0.100598 0.329419 0.134977 F\n0.595429 0.222256 0.980874 F\n0.404571 0.222256 0.480874 F\n0.102646 0.163341 0.894827 F\n0.897354 0.163341 0.394827 F\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "F-Li-Mn",
"density": 2.9474924363334964,
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"volume": 281.46805161872385,
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"formula_full": "Li2 Mn4 F14",
"formula_reduced": "LiMn2F7",
"formula_anonymous": "AB2C7",
"energy": -123.15024171000002,
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"updated_at": "2021-11-28T01:34:26.064000Z",
"spacegroup": 13
},
{
"id": "mp-559832",
"created_at": "2022-09-04T14:39:08.916773Z",
"structure_string": "Hg12 S8 Br8\n1.0\n4.879257 9.112766 0.000000\n-4.879257 9.112766 0.000000\n0.000000 0.174793 9.723790\nHg S Br\n12 8 8\ndirect\n0.908071 0.333425 0.796874 Hg\n0.333425 0.908071 0.796874 Hg\n0.762382 0.237618 0.500000 Hg\n0.091929 0.666575 0.203126 Hg\n0.751137 0.751137 0.776608 Hg\n0.487416 0.487416 0.766296 Hg\n0.237618 0.762382 0.500000 Hg\n0.248863 0.248863 0.223392 Hg\n0.512584 0.512584 0.233704 Hg\n0.666575 0.091929 0.203126 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.739068 0.238818 0.749185 S\n0.506573 0.001505 0.750508 S\n0.001505 0.506573 0.750508 S\n0.998495 0.493427 0.249492 S\n0.260932 0.761182 0.250815 S\n0.761182 0.260932 0.250815 S\n0.493427 0.998495 0.249492 S\n0.238818 0.739068 0.749185 S\n0.123009 0.123009 0.994124 Br\n0.123984 0.123984 0.532822 Br\n0.876991 0.876991 0.005876 Br\n0.382194 0.382194 0.024042 Br\n0.626146 0.626146 0.506349 Br\n0.373854 0.373854 0.493651 Br\n0.876016 0.876016 0.467178 Br\n0.617806 0.617806 0.975958 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"S",
"Br"
],
"chemical_system": "Br-Hg-S",
"density": 6.342582166582429,
"density_atomic": 0.03238087292548624,
"volume": 864.7080041490124,
"volume_molar": 18.597833276014345,
"formula_full": "Hg12 S8 Br8",
"formula_reduced": "Hg3(SBr)2",
"formula_anonymous": "A2B2C3",
"energy": -67.01197374,
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"updated_at": "2021-11-28T01:34:35.972000Z",
"spacegroup": 12
},
{
"id": "mp-1209459",
"created_at": "2022-09-04T14:39:08.918725Z",
"structure_string": "Rb4 In12 O20\n1.0\n0.000000 -3.342229 0.000000\n-9.812547 0.000000 0.000000\n0.000000 0.000000 -17.024601\nRb In O\n4 12 20\ndirect\n0.750000 0.500882 0.384147 Rb\n0.250000 0.499118 0.615853 Rb\n0.250000 0.999118 0.884147 Rb\n0.750000 0.000882 0.115853 Rb\n0.750000 0.844967 0.302733 In\n0.250000 0.155033 0.697267 In\n0.250000 0.655033 0.802733 In\n0.750000 0.344967 0.197267 In\n0.750000 0.651414 0.976779 In\n0.250000 0.348586 0.023221 In\n0.250000 0.848586 0.476779 In\n0.750000 0.151414 0.523221 In\n0.750000 0.861849 0.647926 In\n0.250000 0.138151 0.352074 In\n0.250000 0.638151 0.147926 In\n0.750000 0.361849 0.852074 In\n0.750000 0.997229 0.424018 O\n0.250000 0.002771 0.575982 O\n0.250000 0.502771 0.924018 O\n0.750000 0.497229 0.075982 O\n0.750000 0.750598 0.535259 O\n0.250000 0.249402 0.464741 O\n0.250000 0.749402 0.035259 O\n0.750000 0.250598 0.964741 O\n0.750000 0.745907 0.191678 O\n0.250000 0.254093 0.808322 O\n0.250000 0.754093 0.691678 O\n0.750000 0.245907 0.308322 O\n0.750000 0.755940 0.867444 O\n0.250000 0.244060 0.132556 O\n0.250000 0.744060 0.367444 O\n0.750000 0.255940 0.632556 O\n0.750000 0.523418 0.769089 O\n0.250000 0.476582 0.230911 O\n0.250000 0.976582 0.269089 O\n0.750000 0.023418 0.730911 O\n",
"nsites": 36,
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"elements": [
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],
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"density": 6.066178946999579,
"density_atomic": 0.06447741318053787,
"volume": 558.3350544662729,
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"formula_full": "Rb4 In12 O20",
"formula_reduced": "RbIn3O5",
"formula_anonymous": "AB3C5",
"energy": -205.3351803,
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"spacegroup": 62
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{
"id": "mp-1026668",
"created_at": "2022-09-04T14:39:08.941364Z",
"structure_string": "Hf1 Mg14 Si1\n1.0\n6.273888 0.000000 -0.000000\n-3.136944 5.433346 -0.000000\n-0.000000 0.000000 10.213761\nHf Mg Si\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Hf\n0.164494 0.832247 0.125000 Mg\n0.171361 0.835680 0.625000 Mg\n0.667753 0.335506 0.125000 Mg\n0.664320 0.328639 0.625000 Mg\n0.667753 0.832247 0.125000 Mg\n0.664320 0.835680 0.625000 Mg\n0.328120 0.171880 0.373391 Mg\n0.328120 0.171880 0.876609 Mg\n0.328120 0.656242 0.373391 Mg\n0.328120 0.656242 0.876609 Mg\n0.843758 0.171880 0.373391 Mg\n0.843758 0.171880 0.876609 Mg\n0.833333 0.666667 0.380679 Mg\n0.833333 0.666667 0.869321 Mg\n0.166667 0.333333 0.125000 Si\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Hf-Mg-Si",
"density": 2.6080981148537625,
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"volume": 348.1687713252787,
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"formula_full": "Hf1 Mg14 Si1",
"formula_reduced": "HfMg14Si",
"formula_anonymous": "ABC14",
"energy": -36.78750242,
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"updated_at": "2021-11-28T01:34:36.318000Z",
"spacegroup": 187
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{
"id": "mp-1206817",
"created_at": "2022-09-04T14:39:09.032708Z",
"structure_string": "Tl2 V2 Cl6\n1.0\n3.519656 -6.096222 0.000000\n3.519656 6.096222 0.000000\n0.000000 0.000000 6.258046\nTl V Cl\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.158535 0.317071 0.250000 Cl\n0.841465 0.682929 0.750000 Cl\n0.682929 0.841465 0.250000 Cl\n0.317071 0.158535 0.750000 Cl\n0.158535 0.841465 0.250000 Cl\n0.841465 0.158535 0.750000 Cl\n",
"nsites": 10,
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"elements": [
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"V",
"Cl"
],
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"density_atomic": 0.037236620645337594,
"volume": 268.55283392243336,
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"formula_full": "Tl2 V2 Cl6",
"formula_reduced": "TlVCl3",
"formula_anonymous": "ABC3",
"energy": -48.65086014,
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"spacegroup": 194
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{
"id": "mp-1110904",
"created_at": "2022-09-04T14:39:09.036343Z",
"structure_string": "Na2 Li1 In1 F6\n1.0\n0.000000 4.090900 4.090900\n4.090900 0.000000 4.090900\n4.090900 4.090900 0.000000\nNa Li In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.254680 0.254680 0.745320 F\n0.254680 0.745320 0.745320 F\n0.745320 0.745320 0.254680 F\n0.254680 0.745320 0.254680 F\n0.745320 0.254680 0.745320 F\n0.745320 0.254680 0.254680 F\n",
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"formula_full": "Na2 Li1 In1 F6",
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"energy": -47.76317614,
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{
"id": "mp-867253",
"created_at": "2022-09-04T14:39:14.062120Z",
"structure_string": "Li1 Zn2 Ir1\n1.0\n0.000000 3.027040 3.027040\n3.027040 0.000000 3.027040\n3.027040 3.027040 0.000000\nLi Zn Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Ir\n",
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