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{
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"results": [
{
"id": "mp-1101981",
"created_at": "2022-09-04T14:43:15.783930Z",
"structure_string": "Sr1 Ge1 P2 O8\n1.0\n2.565338 3.994895 0.000000\n-2.565338 3.994895 0.000000\n0.000000 0.507941 7.480498\nSr Ge P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ge\n0.365256 0.365256 0.793861 P\n0.634744 0.634744 0.206139 P\n0.230453 0.230453 0.949990 O\n0.769547 0.769547 0.050010 O\n0.307962 0.307962 0.604875 O\n0.692038 0.692038 0.395125 O\n0.230581 0.726486 0.813799 O\n0.726486 0.230581 0.813799 O\n0.769419 0.273514 0.186201 O\n0.273514 0.769419 0.186201 O\n",
"nsites": 12,
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"elements": [
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],
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"volume": 153.32411626759531,
"volume_molar": 7.694495083883874,
"formula_full": "Sr1 Ge1 P2 O8",
"formula_reduced": "SrGe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -90.22590055,
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"updated_at": "2021-11-28T01:36:15.099000Z",
"spacegroup": 12
},
{
"id": "mp-1020628",
"created_at": "2022-09-04T14:41:36.589193Z",
"structure_string": "Sr2 Ge2 P4 O16\n1.0\n2.566119 8.270858 0.000000\n-2.566119 8.270858 0.000000\n0.000000 3.481499 7.226144\nSr Ge P O\n2 2 4 16\ndirect\n0.802627 0.197373 0.250000 Sr\n0.197373 0.802627 0.750000 Sr\n0.000000 0.500000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n0.595691 0.110571 0.759551 P\n0.889429 0.404309 0.740449 P\n0.404309 0.889429 0.240449 P\n0.110571 0.595691 0.259551 P\n0.811988 0.861136 0.898322 O\n0.138864 0.188012 0.601678 O\n0.188012 0.138864 0.101678 O\n0.861136 0.811988 0.398322 O\n0.330250 0.368145 0.865827 O\n0.631855 0.669750 0.634173 O\n0.669750 0.631855 0.134173 O\n0.368145 0.330250 0.365827 O\n0.513028 0.039328 0.701529 O\n0.960672 0.486972 0.798471 O\n0.486972 0.960672 0.298471 O\n0.039328 0.513028 0.201529 O\n0.720350 0.175315 0.606796 O\n0.824685 0.279650 0.893204 O\n0.279650 0.824685 0.393204 O\n0.175315 0.720350 0.106796 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"P",
"O"
],
"chemical_system": "Ge-O-P-Sr",
"density": 3.791705937637611,
"density_atomic": 0.07824332132221501,
"volume": 306.7354452038818,
"volume_molar": 7.696683446246013,
"formula_full": "Sr2 Ge2 P4 O16",
"formula_reduced": "SrGe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -180.51289338,
"energy_per_atom": -7.5213705575,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -169.52089338,
"band_gap": 4.0991,
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"total_magnetization": 0.0009614,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.399000Z",
"spacegroup": 15
},
{
"id": "mp-21164",
"created_at": "2022-09-04T14:43:02.925792Z",
"structure_string": "Sr4 Ge4 Pt4\n1.0\n6.692063 0.000000 0.000000\n0.000000 6.692063 0.000000\n0.000000 0.000000 6.692063\nSr Ge Pt\n4 4 4\ndirect\n0.135841 0.135841 0.135841 Sr\n0.364159 0.864159 0.635841 Sr\n0.635841 0.364159 0.864159 Sr\n0.864159 0.635841 0.364159 Sr\n0.165478 0.334522 0.665478 Ge\n0.334522 0.665478 0.165478 Ge\n0.665478 0.165478 0.334522 Ge\n0.834522 0.834522 0.834522 Ge\n0.582605 0.917395 0.082605 Pt\n0.917395 0.082605 0.582605 Pt\n0.082605 0.582605 0.917395 Pt\n0.417395 0.417395 0.417395 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt-Sr",
"density": 7.875497774213262,
"density_atomic": 0.04004065595684929,
"volume": 299.69538992897793,
"volume_molar": 15.040065193961595,
"formula_full": "Sr4 Ge4 Pt4",
"formula_reduced": "SrGePt",
"formula_anonymous": "ABC",
"energy": -60.30422747,
"energy_per_atom": -5.025352289166666,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -60.30422747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011042,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.626000Z",
"spacegroup": 198
},
{
"id": "mp-10697",
"created_at": "2022-09-04T14:42:02.255496Z",
"structure_string": "Sr1 Ge2 Rh2\n1.0\n-2.116045 2.116045 5.472009\n2.116045 -2.116045 5.472009\n2.116045 2.116045 -5.472009\nSr Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.632378 0.632378 0.000000 Ge\n0.367622 0.367622 0.000000 Ge\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Sr",
"density": 7.433118021875065,
"density_atomic": 0.051016823180742715,
"volume": 98.00688651831513,
"volume_molar": 11.804225321252801,
"formula_full": "Sr1 Ge2 Rh2",
"formula_reduced": "Sr(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -29.58330369,
"energy_per_atom": -5.916660738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -29.58330369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.52e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.354000Z",
"spacegroup": 139
},
{
"id": "mp-19787",
"created_at": "2022-09-04T14:43:02.869435Z",
"structure_string": "Sr1 Ge2 Ru2\n1.0\n-2.174662 2.174662 5.193026\n2.174662 -2.174662 5.193026\n2.174662 2.174662 -5.193026\nSr Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.640355 0.640355 0.000000 Ge\n0.359645 0.359645 0.000000 Ge\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Ru"
],
"chemical_system": "Ge-Ru-Sr",
"density": 7.353841548983773,
"density_atomic": 0.05089861731107596,
"volume": 98.23449563357704,
"volume_molar": 11.831639203860124,
"formula_full": "Sr1 Ge2 Ru2",
"formula_reduced": "Sr(GeRu)2",
"formula_anonymous": "AB2C2",
"energy": -31.98320818,
"energy_per_atom": -6.396641636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.98320818,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0002323,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.916000Z",
"spacegroup": 139
},
{
"id": "mp-10341",
"created_at": "2022-09-04T14:43:54.295240Z",
"structure_string": "Sr1 Ge1 Te1 O6\n1.0\n2.574614 -4.459362 0.000000\n2.574614 4.459362 0.000000\n0.000000 0.000000 5.493720\nSr Ge Te O\n1 1 1 6\ndirect\n0.333333 0.666667 0.000000 Sr\n0.000000 0.000000 0.500000 Ge\n0.666667 0.333333 0.500000 Te\n0.715906 0.045543 0.699434 O\n0.954457 0.670363 0.699434 O\n0.329637 0.284094 0.699434 O\n0.715906 0.670363 0.300566 O\n0.329637 0.045543 0.300566 O\n0.954457 0.284094 0.300566 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Ge",
"Te",
"O"
],
"chemical_system": "Ge-O-Sr-Te",
"density": 5.052851231200532,
"density_atomic": 0.071344604981785,
"volume": 126.14829113284445,
"volume_molar": 8.44091962039388,
"formula_full": "Sr1 Ge1 Te1 O6",
"formula_reduced": "SrGeTeO6",
"formula_anonymous": "ABCD6",
"energy": -59.60530242,
"energy_per_atom": -6.62281138,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -55.48330242,
"band_gap": 2.9532,
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"total_magnetization": 0.0001725,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.594000Z",
"spacegroup": 149
},
{
"id": "mp-1198495",
"created_at": "2022-09-04T14:45:31.279445Z",
"structure_string": "Sr2 H20 Pb4 Br12 O10\n1.0\n6.252638 7.767884 0.000000\n-6.252638 7.767884 0.000000\n0.000000 3.933345 8.578831\nSr H Pb Br O\n2 20 4 12 10\ndirect\n0.979462 0.020538 0.250000 Sr\n0.020538 0.979462 0.750000 Sr\n0.090929 0.333674 0.094277 H\n0.666326 0.909071 0.405723 H\n0.909071 0.666326 0.905723 H\n0.333674 0.090929 0.594277 H\n0.060744 0.298339 0.276083 H\n0.701661 0.939256 0.223917 H\n0.939256 0.701661 0.723917 H\n0.298339 0.060744 0.776083 H\n0.225967 0.895742 0.433388 H\n0.104258 0.774033 0.066612 H\n0.774033 0.104258 0.566612 H\n0.895742 0.225967 0.933388 H\n0.227356 0.059031 0.382369 H\n0.940969 0.772644 0.117631 H\n0.772644 0.940969 0.617631 H\n0.059031 0.227356 0.882369 H\n0.785027 0.324343 0.226614 H\n0.675657 0.214973 0.273386 H\n0.214973 0.675657 0.773386 H\n0.324343 0.785027 0.726614 H\n0.451289 0.266268 0.967244 Pb\n0.733732 0.548711 0.532756 Pb\n0.548711 0.733732 0.032756 Pb\n0.266268 0.451289 0.467244 Pb\n0.432770 0.183753 0.318637 Br\n0.816247 0.567230 0.181363 Br\n0.567230 0.816247 0.681363 Br\n0.183753 0.432770 0.818637 Br\n0.696218 0.435618 0.888064 Br\n0.564382 0.303782 0.611936 Br\n0.303782 0.564382 0.111936 Br\n0.435618 0.696218 0.388064 Br\n0.687641 0.015388 0.969381 Br\n0.984612 0.312359 0.530619 Br\n0.312359 0.984612 0.030619 Br\n0.015388 0.687641 0.469381 Br\n0.090658 0.254238 0.189045 O\n0.745762 0.909342 0.310955 O\n0.909342 0.745762 0.810955 O\n0.254238 0.090658 0.689045 O\n0.160706 0.985690 0.432690 O\n0.014310 0.839294 0.067310 O\n0.839294 0.014310 0.567310 O\n0.985690 0.160706 0.932690 O\n0.777837 0.222163 0.250000 O\n0.222163 0.777837 0.750000 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
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"H",
"Pb",
"Br",
"O"
],
"chemical_system": "Br-H-O-Pb-Sr",
"density": 4.270270748543467,
"density_atomic": 0.05759928760649176,
"volume": 833.3436400798495,
"volume_molar": 10.455234795857564,
"formula_full": "Sr2 H20 Pb4 Br12 O10",
"formula_reduced": "SrH10Pb2Br6O5",
"formula_anonymous": "AB2C5D6E10",
"energy": -223.69348962,
"energy_per_atom": -4.6602810337500005,
"energy_above_hull": null,
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"energy_uncorrected": -210.41548962,
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"updated_at": "2021-11-28T01:37:10.180000Z",
"spacegroup": 15
},
{
"id": "mp-697285",
"created_at": "2022-09-04T14:46:31.215414Z",
"structure_string": "Sr4 H40 S8 O32\n1.0\n4.092634 10.611452 0.000000\n-4.092634 10.611452 0.000000\n0.000000 3.200916 10.188266\nSr H S O\n4 40 8 32\ndirect\n0.103437 0.450797 0.185904 Sr\n0.549203 0.896563 0.314096 Sr\n0.896563 0.549203 0.814096 Sr\n0.450797 0.103437 0.685904 Sr\n0.740324 0.612724 0.142167 H\n0.387276 0.259676 0.357833 H\n0.259676 0.387276 0.857833 H\n0.612724 0.740324 0.642167 H\n0.786555 0.494363 0.278596 H\n0.505637 0.213445 0.221404 H\n0.213445 0.505637 0.721404 H\n0.494363 0.786555 0.778596 H\n0.455015 0.201214 0.009164 H\n0.798786 0.544985 0.490836 H\n0.544985 0.798786 0.990836 H\n0.201214 0.455015 0.509164 H\n0.409715 0.376827 0.957007 H\n0.623173 0.590285 0.542993 H\n0.590285 0.623173 0.042993 H\n0.376827 0.409715 0.457007 H\n0.889802 0.246657 0.420105 H\n0.753343 0.110198 0.079895 H\n0.110198 0.753343 0.579895 H\n0.246657 0.889802 0.920105 H\n0.906526 0.223894 0.274996 H\n0.776106 0.093474 0.225004 H\n0.093474 0.776106 0.725004 H\n0.223894 0.906526 0.774996 H\n0.104452 0.730610 0.051255 H\n0.269390 0.895548 0.448745 H\n0.895548 0.269390 0.948745 H\n0.730610 0.104452 0.551255 H\n0.116845 0.716210 0.198233 H\n0.283790 0.883155 0.301767 H\n0.883155 0.283790 0.801767 H\n0.716210 0.116845 0.698233 H\n0.593279 0.400940 0.370558 H\n0.599060 0.406721 0.129442 H\n0.406721 0.599060 0.629442 H\n0.400940 0.593279 0.870558 H\n0.424236 0.589570 0.404264 H\n0.410430 0.575764 0.095736 H\n0.575764 0.410430 0.595736 H\n0.589570 0.424236 0.904264 H\n0.964086 0.886865 0.385013 S\n0.113135 0.035914 0.114987 S\n0.035914 0.113135 0.614987 S\n0.886865 0.964086 0.885013 S\n0.860706 0.790400 0.446857 S\n0.209600 0.139294 0.053143 S\n0.139294 0.209600 0.553143 S\n0.790400 0.860706 0.946857 S\n0.951450 0.652993 0.559967 O\n0.347007 0.048550 0.940033 O\n0.048550 0.347007 0.440033 O\n0.652993 0.951450 0.059967 O\n0.667846 0.937315 0.484949 O\n0.062685 0.332154 0.015051 O\n0.332154 0.062685 0.515051 O\n0.937315 0.667846 0.984949 O\n0.883967 0.716034 0.336323 O\n0.283966 0.116033 0.163677 O\n0.116033 0.283966 0.663677 O\n0.716034 0.883967 0.836323 O\n0.781439 0.585839 0.227631 O\n0.414161 0.218561 0.272369 O\n0.218561 0.414161 0.772369 O\n0.585839 0.781439 0.727631 O\n0.357922 0.328559 0.984282 O\n0.671441 0.642078 0.515718 O\n0.642078 0.671441 0.015718 O\n0.328559 0.357922 0.484282 O\n0.824091 0.307528 0.342749 O\n0.692472 0.175909 0.157251 O\n0.175909 0.692472 0.657251 O\n0.307528 0.824091 0.842749 O\n0.170645 0.644265 0.126664 O\n0.355735 0.829355 0.373336 O\n0.829355 0.355735 0.873336 O\n0.644265 0.170645 0.626664 O\n0.466423 0.478341 0.397984 O\n0.521659 0.533577 0.102016 O\n0.533577 0.521659 0.602016 O\n0.478341 0.466423 0.897984 O\n",
"nsites": 84,
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"elements": [
"Sr",
"H",
"S",
"O"
],
"chemical_system": "H-O-S-Sr",
"density": 2.175386060298694,
"density_atomic": 0.09492296458159331,
"volume": 884.9281137631957,
"volume_molar": 6.344240075670545,
"formula_full": "Sr4 H40 S8 O32",
"formula_reduced": "SrH10(SO4)2",
"formula_anonymous": "AB2C8D10",
"energy": -459.70589179,
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"energy_uncorrected": -437.72189179,
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"total_magnetization": 5.6e-06,
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"updated_at": "2021-11-28T01:37:42.630000Z",
"spacegroup": 15
},
{
"id": "mp-559027",
"created_at": "2022-09-04T14:40:09.411542Z",
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"updated_at": "2021-11-28T01:34:52.021000Z",
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},
{
"id": "mp-23885",
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"structure_string": "Sr1 H12 Cl2 O6\n1.0\n3.998480 -6.925570 0.000000\n3.998480 6.925570 0.000000\n0.000000 0.000000 4.195791\nSr H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.887185 0.643291 0.497226 H\n0.356709 0.243894 0.497226 H\n0.756106 0.112815 0.497226 H\n0.243894 0.356709 0.502774 H\n0.112815 0.756106 0.502774 H\n0.643291 0.887185 0.502774 H\n0.900219 0.344919 0.906925 H\n0.655081 0.555300 0.906925 H\n0.444700 0.099781 0.906925 H\n0.344919 0.900219 0.093075 H\n0.099781 0.444700 0.093075 H\n0.555300 0.655081 0.093075 H\n0.666667 0.333333 0.618776 Cl\n0.333333 0.666667 0.381224 Cl\n0.224717 0.224717 0.500000 O\n0.000000 0.775283 0.500000 O\n0.775283 0.000000 0.500000 O\n0.678278 0.678278 0.000000 O\n0.000000 0.321722 0.000000 O\n0.321722 0.000000 0.000000 O\n",
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{
"id": "mp-1202849",
"created_at": "2022-09-04T14:42:23.850320Z",
"structure_string": "Sr2 H36 Cl4 O34\n1.0\n3.442393 -9.630966 0.000000\n3.442393 9.630966 0.000000\n0.000000 0.000000 11.312712\nSr H Cl O\n2 36 4 34\ndirect\n0.558765 0.558765 0.750000 Sr\n0.441235 0.441235 0.250000 Sr\n0.311736 0.782687 0.437713 H\n0.217313 0.688264 0.562287 H\n0.311736 0.782687 0.062287 H\n0.217313 0.688264 0.937713 H\n0.688264 0.217313 0.562287 H\n0.782687 0.311736 0.437713 H\n0.688264 0.217313 0.937713 H\n0.782687 0.311736 0.062287 H\n0.311399 0.230950 0.538568 H\n0.769050 0.688601 0.461432 H\n0.311399 0.230950 0.961432 H\n0.769050 0.688601 0.038568 H\n0.688601 0.769050 0.461432 H\n0.230950 0.311399 0.538568 H\n0.688601 0.769050 0.038568 H\n0.230950 0.311399 0.961432 H\n0.501591 0.770902 0.568266 H\n0.229098 0.498409 0.431734 H\n0.501591 0.770902 0.931734 H\n0.229098 0.498409 0.068266 H\n0.498409 0.229098 0.431734 H\n0.770902 0.501591 0.568266 H\n0.498409 0.229098 0.068266 H\n0.770902 0.501591 0.931734 H\n0.724352 0.940661 0.620950 H\n0.059339 0.275648 0.379050 H\n0.724352 0.940661 0.879050 H\n0.059339 0.275648 0.120950 H\n0.275648 0.059339 0.379050 H\n0.940661 0.724352 0.620950 H\n0.275648 0.059339 0.120950 H\n0.940661 0.724352 0.879050 H\n0.039652 0.039652 0.682619 H\n0.960348 0.960348 0.317381 H\n0.039652 0.039652 0.817381 H\n0.960348 0.960348 0.182619 H\n0.013877 0.352480 0.750000 Cl\n0.647520 0.986123 0.250000 Cl\n0.986123 0.647520 0.250000 Cl\n0.352480 0.013877 0.750000 Cl\n0.910832 0.222874 0.643563 O\n0.777126 0.089168 0.356437 O\n0.910832 0.222874 0.856437 O\n0.777126 0.089168 0.143563 O\n0.089168 0.777126 0.356437 O\n0.222874 0.910832 0.643563 O\n0.089168 0.777126 0.143563 O\n0.222874 0.910832 0.856437 O\n0.295490 0.704510 0.500000 O\n0.295490 0.704510 0.000000 O\n0.704510 0.295490 0.500000 O\n0.704510 0.295490 0.000000 O\n0.273267 0.273267 0.593601 O\n0.726733 0.726733 0.406399 O\n0.273267 0.273267 0.906399 O\n0.726733 0.726733 0.093601 O\n0.612104 0.795887 0.594612 O\n0.204113 0.387896 0.405388 O\n0.612104 0.795887 0.905388 O\n0.204113 0.387896 0.094612 O\n0.387896 0.204113 0.405388 O\n0.795887 0.612104 0.594612 O\n0.387896 0.204113 0.094612 O\n0.795887 0.612104 0.905388 O\n0.228751 0.475763 0.750000 O\n0.524237 0.771249 0.250000 O\n0.771249 0.524237 0.250000 O\n0.475763 0.228751 0.750000 O\n0.007337 0.489345 0.750000 O\n0.510655 0.992663 0.250000 O\n0.992663 0.510655 0.250000 O\n0.489345 0.007337 0.750000 O\n0.948084 0.948084 0.750000 O\n0.051916 0.051916 0.250000 O\n",
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"formula_full": "Sr2 H36 Cl4 O34",
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},
{
"id": "mp-23759",
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"structure_string": "Sr2 H4\n1.0\n2.056089 -3.561251 0.000000\n2.056089 3.561251 0.000000\n0.000000 0.000000 5.746764\nSr H\n2 4\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.666667 0.333333 0.250000 H\n0.333333 0.666667 0.750000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
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]
}