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{
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"results": [
{
"id": "mp-736390",
"created_at": "2022-09-04T14:46:37.875064Z",
"structure_string": "Sr4 H12 C12 O28\n1.0\n17.048411 0.000000 0.000000\n0.000000 5.805519 0.000000\n0.000000 4.965809 6.360370\nSr H C O\n4 12 12 28\ndirect\n0.081519 0.856800 0.378965 Sr\n0.418481 0.856800 0.878965 Sr\n0.918481 0.143200 0.621035 Sr\n0.581519 0.143200 0.121035 Sr\n0.430737 0.243824 0.281525 H\n0.069263 0.243824 0.781525 H\n0.569263 0.756176 0.718475 H\n0.930737 0.756176 0.218475 H\n0.396025 0.172519 0.128791 H\n0.103975 0.172519 0.628791 H\n0.603975 0.827481 0.871209 H\n0.896025 0.827481 0.371209 H\n0.254159 0.356228 0.644832 H\n0.245841 0.356228 0.144832 H\n0.745841 0.643772 0.355168 H\n0.754159 0.643772 0.855168 H\n0.261885 0.945588 0.129541 C\n0.238115 0.945588 0.629541 C\n0.738115 0.054412 0.870459 C\n0.761885 0.054412 0.370459 C\n0.982190 0.509395 0.085205 C\n0.517810 0.509395 0.585205 C\n0.017810 0.490605 0.914795 C\n0.482190 0.490605 0.414795 C\n0.220824 0.688138 0.151338 C\n0.279176 0.688138 0.651338 C\n0.779176 0.311862 0.848662 C\n0.720824 0.311862 0.348662 C\n0.269506 0.541374 0.119466 O\n0.230494 0.541374 0.619466 O\n0.730494 0.458626 0.880534 O\n0.769506 0.458626 0.380534 O\n0.218968 0.079354 0.174804 O\n0.281032 0.079354 0.674804 O\n0.781032 0.920646 0.825196 O\n0.718968 0.920646 0.325196 O\n0.935943 0.714091 0.358655 O\n0.564057 0.714091 0.858655 O\n0.064057 0.285909 0.641345 O\n0.435943 0.285909 0.141345 O\n0.992162 0.292897 0.276612 O\n0.507838 0.292897 0.776612 O\n0.007838 0.707103 0.723388 O\n0.492162 0.707103 0.223388 O\n0.332681 0.995623 0.074340 O\n0.167319 0.995623 0.574340 O\n0.667319 0.004377 0.925660 O\n0.832681 0.004377 0.425660 O\n0.945397 0.742542 0.017429 O\n0.554603 0.742542 0.517429 O\n0.054603 0.257458 0.982571 O\n0.445397 0.257458 0.482571 O\n0.150805 0.632392 0.196854 O\n0.349195 0.632392 0.696854 O\n0.849195 0.367608 0.803146 O\n0.650805 0.367608 0.303146 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Sr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sr",
"density": 2.5182724467622766,
"density_atomic": 0.08895711487034165,
"volume": 629.516819218138,
"volume_molar": 6.769712314498394,
"formula_full": "Sr4 H12 C12 O28",
"formula_reduced": "SrH3C3O7",
"formula_anonymous": "AB3C3D7",
"energy": -397.43851539,
"energy_per_atom": -7.09711634625,
"energy_above_hull": null,
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"energy_uncorrected": -378.20251539,
"band_gap": 2.7249000000000003,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.651000Z",
"spacegroup": 14
},
{
"id": "mp-1208839",
"created_at": "2022-09-04T14:40:55.246742Z",
"structure_string": "Sr4 H12 Pt2\n1.0\n2.821089 -6.880269 0.000000\n2.821089 6.880269 0.000000\n0.000000 0.000000 5.645182\nSr H Pt\n4 12 2\ndirect\n0.646054 0.353946 0.000000 Sr\n0.353946 0.646054 0.000000 Sr\n0.853946 0.146054 0.500000 Sr\n0.146054 0.853946 0.500000 Sr\n0.878817 0.121183 0.000000 H\n0.121183 0.878817 0.000000 H\n0.621183 0.378817 0.500000 H\n0.378817 0.621183 0.500000 H\n0.001257 0.501257 0.250000 H\n0.998743 0.498743 0.750000 H\n0.498743 0.998743 0.750000 H\n0.501257 0.001257 0.250000 H\n0.206970 0.206970 0.220196 H\n0.793030 0.793030 0.779804 H\n0.293030 0.293030 0.720196 H\n0.706970 0.706970 0.279804 H\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"H",
"Pt"
],
"chemical_system": "H-Pt-Sr",
"density": 5.703820305792807,
"density_atomic": 0.08213766554459521,
"volume": 219.14428515413815,
"volume_molar": 7.3317651774877675,
"formula_full": "Sr4 H12 Pt2",
"formula_reduced": "Sr2H6Pt",
"formula_anonymous": "AB2C6",
"energy": -71.85266546999999,
"energy_per_atom": -3.991814748333333,
"energy_above_hull": null,
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"energy_uncorrected": -69.70466547,
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"updated_at": "2021-11-28T01:34:59.737000Z",
"spacegroup": 64
},
{
"id": "mp-1199326",
"created_at": "2022-09-04T14:41:23.924986Z",
"structure_string": "Sr4 H16 Ir4 O8 F24\n1.0\n6.232991 0.000000 0.000000\n0.000000 10.178521 0.000000\n-4.479943 0.000000 11.221054\nSr H Ir O F\n4 16 4 8 24\ndirect\n0.792963 0.313067 0.950674 Sr\n0.792963 0.186933 0.450674 Sr\n0.207037 0.686933 0.049326 Sr\n0.207037 0.813067 0.549326 Sr\n0.347376 0.153131 0.945290 H\n0.347376 0.346869 0.445290 H\n0.652624 0.846869 0.054710 H\n0.652624 0.653131 0.554710 H\n0.329968 0.373994 0.077424 H\n0.329968 0.126006 0.577424 H\n0.670032 0.626006 0.922576 H\n0.670032 0.873994 0.422576 H\n0.221538 0.409940 0.172071 H\n0.221538 0.090060 0.672071 H\n0.778462 0.590060 0.827929 H\n0.778462 0.909940 0.327929 H\n0.536711 0.133929 0.072549 H\n0.536711 0.366071 0.572549 H\n0.463289 0.866071 0.927451 H\n0.463289 0.633929 0.427451 H\n0.860169 0.964712 0.764457 Ir\n0.860169 0.535288 0.264457 Ir\n0.139831 0.035288 0.235543 Ir\n0.139831 0.464712 0.735543 Ir\n0.473070 0.198540 0.008624 O\n0.473070 0.301460 0.508624 O\n0.526930 0.801460 0.991376 O\n0.526930 0.698540 0.491376 O\n0.203193 0.422538 0.087958 O\n0.203193 0.077462 0.587958 O\n0.796807 0.577462 0.912042 O\n0.796807 0.922538 0.412042 O\n0.573574 0.858449 0.716297 F\n0.573574 0.641551 0.216297 F\n0.426426 0.141551 0.283703 F\n0.426426 0.358449 0.783703 F\n0.721510 0.090824 0.840228 F\n0.721510 0.409176 0.340228 F\n0.278490 0.909176 0.159772 F\n0.278490 0.590824 0.659772 F\n0.152321 0.066416 0.812292 F\n0.152321 0.433584 0.312292 F\n0.847679 0.933584 0.187708 F\n0.847679 0.566416 0.687708 F\n0.998501 0.839964 0.686336 F\n0.998501 0.660036 0.186336 F\n0.001499 0.160036 0.313664 F\n0.001499 0.339964 0.813664 F\n0.728210 0.066155 0.615501 F\n0.728210 0.433845 0.115501 F\n0.271790 0.933845 0.384499 F\n0.271790 0.566155 0.884499 F\n0.985513 0.859962 0.910420 F\n0.985513 0.640038 0.410420 F\n0.014487 0.140038 0.089580 F\n0.014487 0.359962 0.589580 F\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Sr",
"H",
"Ir",
"O",
"F"
],
"chemical_system": "F-H-Ir-O-Sr",
"density": 4.010691451384326,
"density_atomic": 0.07866348770784103,
"volume": 711.8931747342042,
"volume_molar": 7.655573043451167,
"formula_full": "Sr4 H16 Ir4 O8 F24",
"formula_reduced": "SrH4Ir(OF3)2",
"formula_anonymous": "ABC2D4E6",
"energy": -300.03827492,
"energy_per_atom": -5.3578263378571425,
"energy_above_hull": null,
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"energy_uncorrected": -283.45427492,
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"updated_at": "2021-11-28T01:35:14.119000Z",
"spacegroup": 14
},
{
"id": "mp-1238063",
"created_at": "2022-09-04T14:43:16.979188Z",
"structure_string": "Sr4 H16 Ir4 O8 F24\n1.0\n10.196870 0.000000 0.000000\n0.000000 6.614404 0.000000\n0.000000 4.047424 11.052004\nSr H Ir O F\n4 16 4 8 24\ndirect\n0.708090 0.252250 0.952485 Sr\n0.791910 0.252250 0.452485 Sr\n0.291910 0.747750 0.047515 Sr\n0.208090 0.747750 0.547515 Sr\n0.809874 0.711898 0.957277 H\n0.690126 0.711898 0.457277 H\n0.190126 0.288102 0.042723 H\n0.309874 0.288102 0.542723 H\n0.719717 0.604045 0.071851 H\n0.780283 0.604045 0.571851 H\n0.280283 0.395955 0.928149 H\n0.219717 0.395955 0.428149 H\n0.476572 0.660480 0.349421 H\n0.023428 0.660480 0.849421 H\n0.523428 0.339520 0.650579 H\n0.976572 0.339520 0.150579 H\n0.933384 0.436480 0.134506 H\n0.566616 0.436480 0.634506 H\n0.066616 0.563520 0.865494 H\n0.433384 0.563520 0.365494 H\n0.038550 0.157916 0.761157 Ir\n0.461450 0.157916 0.261157 Ir\n0.961450 0.842084 0.238843 Ir\n0.538550 0.842084 0.738843 Ir\n0.759854 0.583306 0.001782 O\n0.740146 0.583306 0.501782 O\n0.240146 0.416694 0.998218 O\n0.259854 0.416694 0.498218 O\n0.533394 0.925090 0.039403 O\n0.966606 0.925090 0.539403 O\n0.466606 0.074910 0.960597 O\n0.033394 0.074910 0.460597 O\n0.156594 0.405271 0.725719 F\n0.343406 0.405271 0.225719 F\n0.843406 0.594729 0.274281 F\n0.656594 0.594729 0.774281 F\n0.915931 0.296070 0.839772 F\n0.584069 0.296070 0.339772 F\n0.084069 0.703930 0.160228 F\n0.415931 0.703930 0.660228 F\n0.913718 0.928298 0.798904 F\n0.586282 0.928298 0.298904 F\n0.086282 0.071702 0.201096 F\n0.413718 0.071702 0.701096 F\n0.154052 0.010199 0.682863 F\n0.345948 0.010199 0.182863 F\n0.845948 0.989801 0.317137 F\n0.654052 0.989801 0.817137 F\n0.936932 0.306691 0.611709 F\n0.563068 0.306691 0.111709 F\n0.063068 0.693309 0.388291 F\n0.436932 0.693309 0.888291 F\n0.141778 0.019066 0.912330 F\n0.358222 0.019066 0.412330 F\n0.858222 0.980934 0.087670 F\n0.641778 0.980934 0.587670 F\n",
"nsites": 56,
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"elements": [
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"Ir",
"O",
"F"
],
"chemical_system": "F-H-Ir-O-Sr",
"density": 3.8303234380514763,
"density_atomic": 0.07512584908076612,
"volume": 745.4158679763559,
"volume_molar": 8.016070145877128,
"formula_full": "Sr4 H16 Ir4 O8 F24",
"formula_reduced": "SrH4Ir(OF3)2",
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"energy": -283.43536226,
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"updated_at": "2021-11-28T01:36:06.715000Z",
"spacegroup": 14
},
{
"id": "mp-643905",
"created_at": "2022-09-04T14:40:10.891442Z",
"structure_string": "Sr4 H16 N8\n1.0\n7.779980 0.000000 0.000000\n0.000000 6.693072 0.000000\n0.000000 2.249563 6.369939\nSr H N\n4 16 8\ndirect\n0.377588 0.998356 0.750603 Sr\n0.877588 0.501644 0.249397 Sr\n0.622412 0.001644 0.249397 Sr\n0.122412 0.498356 0.750603 Sr\n0.034331 0.879232 0.934303 H\n0.534331 0.620768 0.065697 H\n0.965669 0.120768 0.065697 H\n0.465669 0.379232 0.934303 H\n0.177651 0.757891 0.107834 H\n0.677651 0.742109 0.892166 H\n0.822349 0.242109 0.892166 H\n0.322349 0.257891 0.107834 H\n0.225691 0.327871 0.373813 H\n0.725691 0.172129 0.626187 H\n0.774309 0.672129 0.626187 H\n0.274309 0.827872 0.373813 H\n0.088404 0.140174 0.476103 H\n0.588404 0.359826 0.523897 H\n0.911596 0.859826 0.523897 H\n0.411596 0.640174 0.476103 H\n0.115196 0.749707 0.976067 N\n0.615196 0.750293 0.023933 N\n0.884804 0.250293 0.023933 N\n0.384804 0.249707 0.976067 N\n0.140022 0.273806 0.496753 N\n0.640022 0.226194 0.503247 N\n0.859978 0.726194 0.503247 N\n0.359978 0.773806 0.496753 N\n",
"nsites": 28,
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"elements": [
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],
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"density": 2.396280003778366,
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"volume": 331.695248931883,
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"formula_full": "Sr4 H16 N8",
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"energy": -146.65746697,
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"updated_at": "2021-11-28T01:34:55.424000Z",
"spacegroup": 14
},
{
"id": "mp-1202747",
"created_at": "2022-09-04T14:45:43.379198Z",
"structure_string": "Sr4 H16 Pt2 O16\n1.0\n-5.566901 0.000000 2.394438\n0.027647 0.000000 -6.071496\n0.000000 -11.187680 0.000000\nSr H Pt O\n4 16 2 16\ndirect\n0.729119 0.394669 0.871266 Sr\n0.270881 0.105331 0.371266 Sr\n0.270881 0.605331 0.128734 Sr\n0.729119 0.894669 0.628734 Sr\n0.145888 0.225176 0.806765 H\n0.854112 0.274824 0.306765 H\n0.854112 0.774824 0.193235 H\n0.145888 0.725176 0.693235 H\n0.754209 0.162723 0.122126 H\n0.245791 0.337277 0.622126 H\n0.245791 0.837277 0.877874 H\n0.754209 0.662723 0.377874 H\n0.589227 0.330652 0.584001 H\n0.410773 0.169348 0.084001 H\n0.410773 0.669348 0.415999 H\n0.589227 0.830652 0.915999 H\n0.364963 0.563448 0.759003 H\n0.635037 0.936552 0.259003 H\n0.635037 0.436552 0.240997 H\n0.364963 0.063448 0.740997 H\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.980352 0.122012 0.831002 O\n0.019648 0.377988 0.331002 O\n0.019648 0.877988 0.168998 O\n0.980352 0.622012 0.668998 O\n0.879391 0.250538 0.059430 O\n0.120609 0.249462 0.559430 O\n0.120609 0.749462 0.940570 O\n0.879391 0.750538 0.440570 O\n0.654326 0.256105 0.523474 O\n0.345674 0.243895 0.023474 O\n0.345674 0.743895 0.476526 O\n0.654326 0.756105 0.976526 O\n0.446164 0.467248 0.725680 O\n0.553836 0.032752 0.225680 O\n0.553836 0.532752 0.274320 O\n0.446164 0.967248 0.774320 O\n",
"nsites": 38,
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"elements": [
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],
"chemical_system": "H-O-Pt-Sr",
"density": 4.456153679900978,
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"volume": 377.39644976959335,
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"formula_full": "Sr4 H16 Pt2 O16",
"formula_reduced": "Sr2H8PtO8",
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"energy": -216.87666556,
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"updated_at": "2021-11-28T01:37:18.819000Z",
"spacegroup": 14
},
{
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{
"id": "mp-707312",
"created_at": "2022-09-04T14:47:00.171624Z",
"structure_string": "Sr4 H24 C8 S8 N8 O12\n1.0\n7.163821 0.000000 0.000000\n0.000000 9.541185 0.000000\n0.000000 8.540375 13.487453\nSr H C S N O\n4 24 8 8 8 12\ndirect\n0.753053 0.657162 0.451493 Sr\n0.746947 0.657162 0.951493 Sr\n0.246947 0.342838 0.548507 Sr\n0.253053 0.342838 0.048507 Sr\n0.990371 0.677952 0.269812 H\n0.509629 0.677952 0.769812 H\n0.009629 0.322048 0.730188 H\n0.490371 0.322048 0.230188 H\n0.816517 0.561455 0.295938 H\n0.683483 0.561455 0.795938 H\n0.183483 0.438545 0.704062 H\n0.316517 0.438545 0.204062 H\n0.786661 0.049828 0.307822 H\n0.713339 0.049828 0.807822 H\n0.213339 0.950172 0.692178 H\n0.286661 0.950172 0.192178 H\n0.819163 0.976664 0.240735 H\n0.680837 0.976664 0.740735 H\n0.180837 0.023336 0.759265 H\n0.319163 0.023336 0.259265 H\n0.935016 0.763611 0.592349 H\n0.564984 0.763611 0.092349 H\n0.064984 0.236389 0.407651 H\n0.435016 0.236389 0.907651 H\n0.736007 0.842843 0.574711 H\n0.763993 0.842843 0.074711 H\n0.263993 0.157157 0.425289 H\n0.236007 0.157157 0.925289 H\n0.396306 0.613318 0.307086 C\n0.103694 0.613318 0.807086 C\n0.603694 0.386682 0.692914 C\n0.896306 0.386682 0.192914 C\n0.237904 0.761412 0.457071 C\n0.262096 0.761412 0.957071 C\n0.762096 0.238588 0.542929 C\n0.737904 0.238588 0.042929 C\n0.293381 0.696373 0.199264 S\n0.206619 0.696373 0.699264 S\n0.706619 0.303627 0.800736 S\n0.793381 0.303627 0.300736 S\n0.399092 0.897193 0.434894 S\n0.100908 0.897193 0.934894 S\n0.600908 0.102807 0.565106 S\n0.899092 0.102807 0.065106 S\n0.467669 0.553685 0.386412 N\n0.032331 0.553685 0.886412 N\n0.532331 0.446315 0.613588 N\n0.967669 0.446315 0.113588 N\n0.122194 0.659997 0.473355 N\n0.377806 0.659997 0.973355 N\n0.877806 0.340003 0.526645 N\n0.622194 0.340003 0.026645 N\n0.864729 0.654975 0.299099 O\n0.635271 0.654975 0.799099 O\n0.135271 0.345025 0.700901 O\n0.364729 0.345025 0.200901 O\n0.814229 0.947225 0.309841 O\n0.685771 0.947225 0.809841 O\n0.185771 0.052775 0.690159 O\n0.314229 0.052775 0.190159 O\n0.816121 0.778218 0.557958 O\n0.683879 0.778218 0.057958 O\n0.183879 0.221782 0.442042 O\n0.316121 0.221782 0.942042 O\n",
"nsites": 64,
"nelements": 6,
"elements": [
"Sr",
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S-Sr",
"density": 1.857661706213702,
"density_atomic": 0.06942293768124194,
"volume": 921.88550553505,
"volume_molar": 8.674569185837235,
"formula_full": "Sr4 H24 C8 S8 N8 O12",
"formula_reduced": "SrH6C2S2N2O3",
"formula_anonymous": "AB2C2D2E3F6",
"energy": -386.43756984,
"energy_per_atom": -6.03808702875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -371.28156984,
"band_gap": 4.2044,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014619,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:50.493000Z",
"spacegroup": 14
}
]
}