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{
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{
"id": "mp-1232233",
"created_at": "2022-09-04T14:40:59.492365Z",
"structure_string": "Gd16 Mg8 S32\n1.0\n12.817952 0.000000 0.000000\n0.000000 7.709150 0.000000\n0.000000 0.000000 12.931594\nGd Mg S\n16 8 32\ndirect\n0.108617 0.886126 0.685263 Gd\n0.891383 0.113874 0.185263 Gd\n0.391383 0.886126 0.185263 Gd\n0.608617 0.113874 0.685263 Gd\n0.126388 0.384548 0.325960 Gd\n0.873612 0.615452 0.825960 Gd\n0.373612 0.384548 0.825960 Gd\n0.626388 0.615452 0.325960 Gd\n0.134912 0.631636 0.993440 Gd\n0.865088 0.368364 0.493440 Gd\n0.365088 0.631636 0.493440 Gd\n0.634912 0.368364 0.993440 Gd\n0.135456 0.130674 0.992669 Gd\n0.864544 0.869326 0.492669 Gd\n0.364544 0.130674 0.492669 Gd\n0.635456 0.869326 0.992669 Gd\n0.111549 0.384303 0.692401 Mg\n0.888451 0.615697 0.192401 Mg\n0.388451 0.384303 0.192401 Mg\n0.611549 0.615697 0.692401 Mg\n0.125718 0.880269 0.321128 Mg\n0.874282 0.119731 0.821128 Mg\n0.374282 0.880269 0.821128 Mg\n0.625718 0.119731 0.321128 Mg\n0.011314 0.880217 0.878319 S\n0.988686 0.119783 0.378319 S\n0.488686 0.880217 0.378319 S\n0.511314 0.119783 0.878319 S\n0.028738 0.381696 0.130745 S\n0.971262 0.618304 0.630745 S\n0.471262 0.381696 0.630745 S\n0.528738 0.618304 0.130745 S\n0.024352 0.375333 0.869270 S\n0.975648 0.624667 0.369270 S\n0.475648 0.375333 0.369270 S\n0.524352 0.624667 0.869270 S\n0.046229 0.876303 0.138515 S\n0.953771 0.123697 0.638515 S\n0.453771 0.876303 0.638515 S\n0.546229 0.123697 0.138515 S\n0.210052 0.881914 0.499428 S\n0.789948 0.118086 0.999428 S\n0.289948 0.881914 0.999428 S\n0.710052 0.118086 0.499428 S\n0.211262 0.381744 0.520567 S\n0.788738 0.618256 0.020567 S\n0.288738 0.381744 0.020567 S\n0.711262 0.618256 0.520567 S\n0.232067 0.136388 0.772822 S\n0.767933 0.863612 0.272822 S\n0.267933 0.136388 0.272822 S\n0.732067 0.863612 0.772822 S\n0.234892 0.637929 0.776473 S\n0.765108 0.362071 0.276473 S\n0.265108 0.637929 0.276473 S\n0.734892 0.362071 0.776473 S\n",
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"formula_full": "Gd16 Mg8 S32",
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"energy": -490.90024085,
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"updated_at": "2021-11-28T01:34:59.689000Z",
"spacegroup": 29
},
{
"id": "mp-758332",
"created_at": "2022-09-04T14:47:16.707210Z",
"structure_string": "Ca4 Gd16 O28\n1.0\n7.215800 0.000000 0.000000\n0.008320 9.208065 0.000000\n-1.823276 -3.496841 10.948618\nCa Gd O\n4 16 28\ndirect\n0.289826 0.070300 0.160072 Ca\n0.110156 0.324195 0.436391 Ca\n0.889844 0.675805 0.563609 Ca\n0.710174 0.929700 0.839928 Ca\n0.019209 0.717442 0.070888 Gd\n0.516065 0.715887 0.069782 Gd\n0.812309 0.499317 0.240550 Gd\n0.308605 0.496242 0.239421 Gd\n0.789100 0.065501 0.155468 Gd\n0.092737 0.869888 0.375435 Gd\n0.594238 0.869279 0.373182 Gd\n0.608858 0.326292 0.437454 Gd\n0.391142 0.673708 0.562546 Gd\n0.405762 0.130721 0.626818 Gd\n0.907263 0.130112 0.624565 Gd\n0.210900 0.934499 0.844532 Gd\n0.187691 0.500683 0.759450 Gd\n0.691395 0.503758 0.760579 Gd\n0.980791 0.282558 0.929112 Gd\n0.483935 0.284113 0.930218 Gd\n0.250508 0.177036 0.000617 O\n0.752023 0.181015 0.006491 O\n0.050004 0.975455 0.216884 O\n0.559251 0.978426 0.218463 O\n0.026815 0.474557 0.114431 O\n0.530854 0.475435 0.115069 O\n0.806203 0.737599 0.230249 O\n0.308743 0.737719 0.227236 O\n0.334598 0.293863 0.312168 O\n0.821919 0.290646 0.309452 O\n0.107959 0.587350 0.399025 O\n0.592908 0.580035 0.402483 O\n0.872621 0.883633 0.497785 O\n0.377458 0.881078 0.500700 O\n0.622542 0.118922 0.499300 O\n0.127379 0.116367 0.502215 O\n0.892041 0.412650 0.600975 O\n0.407092 0.419965 0.597517 O\n0.178081 0.709354 0.690548 O\n0.665402 0.706137 0.687832 O\n0.691257 0.262281 0.772764 O\n0.193797 0.262401 0.769751 O\n0.973185 0.525443 0.885569 O\n0.469146 0.524565 0.884931 O\n0.949996 0.024544 0.783116 O\n0.440749 0.021574 0.781537 O\n0.749492 0.822964 0.999383 O\n0.247977 0.818985 0.993509 O\n",
"nsites": 48,
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"elements": [
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"Gd",
"O"
],
"chemical_system": "Ca-Gd-O",
"density": 7.1316330993116015,
"density_atomic": 0.06598254616284094,
"volume": 727.4651069320498,
"volume_molar": 9.126869316527616,
"formula_full": "Ca4 Gd16 O28",
"formula_reduced": "CaGd4O7",
"formula_anonymous": "AB4C7",
"energy": -551.98927175,
"energy_per_atom": -11.499776494791666,
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"updated_at": "2021-11-28T01:38:02.173000Z",
"spacegroup": 2
},
{
"id": "mp-761131",
"created_at": "2022-09-04T14:42:21.822111Z",
"structure_string": "Sr2 Fe23 O38\n1.0\n5.993665 -0.003334 0.008288\n-2.999809 5.187801 -0.006216\n0.028886 -0.009091 23.434699\nSr Fe O\n2 23 38\ndirect\n0.327836 0.662955 0.749503 Sr\n0.647321 0.328260 0.250395 Sr\n0.171075 0.832627 0.609124 Fe\n0.166083 0.830784 0.889274 Fe\n0.328234 0.669100 0.195187 Fe\n0.333574 0.666817 0.026065 Fe\n0.171461 0.339088 0.609112 Fe\n0.331042 0.666180 0.309737 Fe\n0.000845 0.999998 0.999367 Fe\n0.002451 0.000952 0.501082 Fe\n0.997227 0.998673 0.745468 Fe\n0.335338 0.667562 0.473767 Fe\n0.166048 0.335669 0.889343 Fe\n0.662019 0.831252 0.889625 Fe\n0.666172 0.833383 0.609610 Fe\n0.335410 0.168136 0.109514 Fe\n0.336258 0.167346 0.392677 Fe\n0.666270 0.333374 0.690260 Fe\n0.666213 0.332937 0.972881 Fe\n0.670439 0.334820 0.528540 Fe\n0.663304 0.331598 0.807866 Fe\n0.832957 0.664489 0.392341 Fe\n0.832088 0.665348 0.109643 Fe\n0.833256 0.167211 0.109307 Fe\n0.833768 0.166681 0.392233 Fe\n0.156666 0.843906 0.052090 O\n0.157513 0.843628 0.449179 O\n0.010035 0.504846 0.846829 O\n0.013333 0.506913 0.651007 O\n0.198145 0.811186 0.247255 O\n0.331830 0.666194 0.942906 O\n0.337419 0.668901 0.556322 O\n0.157064 0.312690 0.052021 O\n0.999997 0.000578 0.146718 O\n0.001661 0.999715 0.354848 O\n0.002872 0.001830 0.652119 O\n0.158018 0.312878 0.449069 O\n0.998393 0.999140 0.847554 O\n0.199541 0.395061 0.249368 O\n0.495494 0.989089 0.651065 O\n0.492847 0.987444 0.847282 O\n0.602197 0.799087 0.250368 O\n0.314191 0.157204 0.553528 O\n0.312149 0.156139 0.946333 O\n0.495774 0.507205 0.651099 O\n0.492613 0.505374 0.847275 O\n0.506623 0.493095 0.349838 O\n0.501398 0.498560 0.152545 O\n0.687662 0.843445 0.051996 O\n0.690092 0.844327 0.449139 O\n0.362501 0.181778 0.748592 O\n0.502424 0.003157 0.152272 O\n0.503617 0.004898 0.349945 O\n0.669788 0.333119 0.445577 O\n0.667205 0.333166 0.056924 O\n0.814710 0.633505 0.748548 O\n0.843403 0.687435 0.946454 O\n0.847670 0.690498 0.553867 O\n0.814782 0.181328 0.748483 O\n0.996313 0.497888 0.152252 O\n0.995667 0.496865 0.349537 O\n0.843709 0.155773 0.946550 O\n0.848002 0.157322 0.553859 O\n",
"nsites": 63,
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"elements": [
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"density": 4.7133745450360225,
"density_atomic": 0.08648602087918224,
"volume": 728.4414216259141,
"volume_molar": 6.9631377403901,
"formula_full": "Sr2 Fe23 O38",
"formula_reduced": "Sr2Fe23O38",
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"updated_at": "2021-11-28T01:35:45.295000Z",
"spacegroup": 8
},
{
"id": "mp-1178271",
"created_at": "2022-09-04T14:42:54.069176Z",
"structure_string": "Gd16 As8 O36\n1.0\n7.399339 0.000000 -0.018709\n0.000000 10.924892 0.000000\n-3.597539 0.000000 11.770930\nGd As O\n16 8 36\ndirect\n0.006231 0.138340 0.766256 Gd\n0.006231 0.361660 0.266256 Gd\n0.169874 0.898722 0.588939 Gd\n0.326262 0.395294 0.905589 Gd\n0.169874 0.601278 0.088939 Gd\n0.326262 0.104706 0.405589 Gd\n0.504064 0.657658 0.759684 Gd\n0.495936 0.157658 0.740316 Gd\n0.504064 0.842342 0.259684 Gd\n0.495936 0.342342 0.240316 Gd\n0.673738 0.895294 0.594411 Gd\n0.830126 0.398722 0.911061 Gd\n0.673738 0.604706 0.094411 Gd\n0.830126 0.101278 0.411061 Gd\n0.993769 0.638340 0.733744 Gd\n0.993769 0.861660 0.233744 Gd\n0.186972 0.386819 0.603174 As\n0.335262 0.888472 0.899021 As\n0.186972 0.113181 0.103174 As\n0.335262 0.611528 0.399021 As\n0.664738 0.388472 0.600979 As\n0.813028 0.886819 0.896826 As\n0.664738 0.111528 0.100979 As\n0.813028 0.613181 0.396826 As\n0.075751 0.268598 0.912650 O\n0.075691 0.538516 0.904297 O\n0.245023 0.768010 0.799853 O\n0.200005 0.267994 0.705595 O\n0.075751 0.231402 0.412650 O\n0.075691 0.961484 0.404297 O\n0.287252 0.011803 0.794919 O\n0.246338 0.510165 0.709332 O\n0.245023 0.731990 0.299853 O\n0.200005 0.232006 0.205595 O\n0.425717 0.774912 0.605712 O\n0.287252 0.488197 0.294919 O\n0.422319 0.341185 0.594559 O\n0.584625 0.540253 0.914869 O\n0.246338 0.989835 0.209332 O\n0.415375 0.040253 0.585131 O\n0.577681 0.841185 0.905441 O\n0.574283 0.274912 0.894288 O\n0.425717 0.725088 0.105712 O\n0.422319 0.158815 0.094559 O\n0.584625 0.959747 0.414869 O\n0.753662 0.010165 0.790668 O\n0.415375 0.459747 0.085131 O\n0.577681 0.658815 0.405441 O\n0.712748 0.511803 0.705081 O\n0.574283 0.225088 0.394288 O\n0.799995 0.767994 0.794405 O\n0.754977 0.268010 0.700147 O\n0.753662 0.489835 0.290668 O\n0.712748 0.988197 0.205081 O\n0.924309 0.038516 0.595703 O\n0.924249 0.768598 0.587350 O\n0.799995 0.732006 0.294405 O\n0.754977 0.231990 0.200147 O\n0.924309 0.461484 0.095703 O\n0.924249 0.731402 0.087350 O\n",
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"formula_full": "Gd16 As8 O36",
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},
{
"id": "mp-1101422",
"created_at": "2022-09-04T14:41:00.180628Z",
"structure_string": "Sr2 Fe23 O38\n1.0\n5.993660 -0.002259 -0.003917\n-2.998786 5.189954 0.003603\n-0.015324 0.007405 23.387028\nSr Fe O\n2 23 38\ndirect\n0.333264 0.666694 0.749479 Sr\n0.665522 0.334095 0.250332 Sr\n0.168203 0.831796 0.609447 Fe\n0.168401 0.831628 0.890609 Fe\n0.333196 0.666753 0.191715 Fe\n0.333295 0.666733 0.027244 Fe\n0.168167 0.336500 0.609430 Fe\n0.330928 0.668398 0.304980 Fe\n0.000063 0.999983 0.000163 Fe\n0.000129 0.999921 0.499703 Fe\n0.999973 0.000036 0.751256 Fe\n0.333230 0.666719 0.472541 Fe\n0.168435 0.336820 0.890593 Fe\n0.663187 0.831583 0.890588 Fe\n0.663496 0.831831 0.609427 Fe\n0.334711 0.167187 0.109825 Fe\n0.334062 0.167453 0.389715 Fe\n0.666725 0.333301 0.690978 Fe\n0.666905 0.333204 0.973055 Fe\n0.666691 0.333315 0.526520 Fe\n0.666587 0.333397 0.809019 Fe\n0.832462 0.665946 0.389756 Fe\n0.832982 0.665491 0.109837 Fe\n0.833188 0.166947 0.109865 Fe\n0.832991 0.166843 0.389985 Fe\n0.156419 0.843666 0.052830 O\n0.156089 0.843939 0.447144 O\n0.011854 0.506024 0.848600 O\n0.012129 0.505917 0.651603 O\n0.194590 0.805298 0.253261 O\n0.333409 0.666644 0.944249 O\n0.333203 0.666731 0.555766 O\n0.156308 0.312473 0.052841 O\n0.000239 0.999930 0.147926 O\n0.999578 0.000285 0.352393 O\n0.000103 0.999933 0.651970 O\n0.156279 0.312273 0.447199 O\n0.999956 0.000050 0.847755 O\n0.197287 0.393521 0.251704 O\n0.494124 0.987893 0.651601 O\n0.493969 0.988137 0.848591 O\n0.605893 0.802401 0.251517 O\n0.311972 0.156044 0.552787 O\n0.311287 0.155607 0.947154 O\n0.494013 0.506038 0.651599 O\n0.494019 0.505965 0.848560 O\n0.501442 0.498613 0.347463 O\n0.506607 0.493574 0.152425 O\n0.687604 0.843774 0.052846 O\n0.687693 0.843727 0.447208 O\n0.365366 0.182596 0.750104 O\n0.504386 0.007731 0.152590 O\n0.502084 0.003326 0.347575 O\n0.666769 0.333240 0.442672 O\n0.667341 0.332945 0.056329 O\n0.817433 0.634659 0.750111 O\n0.844441 0.688771 0.947147 O\n0.843954 0.688054 0.552777 O\n0.817395 0.182690 0.750150 O\n0.992958 0.496055 0.152585 O\n0.996474 0.497844 0.347595 O\n0.844455 0.155583 0.947112 O\n0.844095 0.155877 0.552729 O\n",
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"formula_full": "Sr2 Fe23 O38",
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},
{
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{
"id": "mp-684712",
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"structure_string": "Gd16 S24\n1.0\n-4.207433 4.207433 12.604307\n4.207433 -4.207433 12.604307\n4.207433 4.207433 -12.604307\nGd S\n16 24\ndirect\n0.415813 0.915813 0.500000 Gd\n0.994468 0.625000 0.869468 Gd\n0.334187 0.334187 0.000000 Gd\n0.030361 0.927192 0.379370 Gd\n0.547822 0.650990 0.620630 Gd\n0.755532 0.125000 0.130532 Gd\n0.349010 0.969639 0.896831 Gd\n0.665813 0.665813 0.000000 Gd\n0.375000 0.244468 0.369468 Gd\n0.072808 0.452178 0.103169 Gd\n0.875000 0.005532 0.630532 Gd\n0.084187 0.584187 0.500000 Gd\n0.677192 0.280361 0.879370 Gd\n0.719639 0.599010 0.396831 Gd\n0.202178 0.322808 0.603169 Gd\n0.400990 0.797822 0.120630 Gd\n0.711689 0.823503 0.745678 S\n0.365585 0.612241 0.110044 S\n0.502197 0.255541 0.889956 S\n0.247803 0.637759 0.253344 S\n0.384415 0.994459 0.746656 S\n0.077825 0.966010 0.254322 S\n0.038311 0.283990 0.611814 S\n0.060951 0.153891 0.748935 S\n0.687984 0.939049 0.092939 S\n0.672175 0.426497 0.388186 S\n0.846109 0.595044 0.907061 S\n0.573503 0.961689 0.245678 S\n0.716010 0.327825 0.754322 S\n0.404956 0.312016 0.251065 S\n0.362241 0.615585 0.610044 S\n0.387759 0.497803 0.753344 S\n0.033990 0.288311 0.111814 S\n0.005541 0.752197 0.389956 S\n0.903891 0.310951 0.248935 S\n0.176497 0.922175 0.888186 S\n0.062016 0.654956 0.751065 S\n0.744459 0.634415 0.246656 S\n0.689049 0.937984 0.592939 S\n0.345044 0.096109 0.407061 S\n",
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{
"id": "mp-1199284",
"created_at": "2022-09-04T14:46:35.766721Z",
"structure_string": "Gd16 Ga4 Sb4 S36\n1.0\n0.000000 -6.993323 -7.101640\n0.000000 -6.993323 7.101640\n-13.643585 0.000000 0.000000\nGd Ga Sb S\n16 4 4 36\ndirect\n0.127621 0.090954 0.814101 Gd\n0.909046 0.872379 0.185899 Gd\n0.627621 0.590954 0.685899 Gd\n0.409046 0.372379 0.314101 Gd\n0.335962 0.320426 0.600967 Gd\n0.679574 0.664038 0.399033 Gd\n0.835962 0.820426 0.899033 Gd\n0.179574 0.164038 0.100967 Gd\n0.625496 0.043008 0.681612 Gd\n0.956992 0.374504 0.318388 Gd\n0.125496 0.543008 0.818388 Gd\n0.456992 0.874504 0.181612 Gd\n0.449671 0.327477 0.896180 Gd\n0.672523 0.550329 0.103820 Gd\n0.949671 0.827477 0.603820 Gd\n0.172523 0.050329 0.396180 Gd\n0.385995 0.824132 0.907812 Ga\n0.175868 0.614005 0.092188 Ga\n0.885995 0.324132 0.592188 Ga\n0.675868 0.114005 0.407812 Ga\n0.328704 0.831737 0.612988 Sb\n0.168263 0.671296 0.387012 Sb\n0.828704 0.331737 0.887012 Sb\n0.668263 0.171296 0.112988 Sb\n0.164426 0.015369 0.599411 S\n0.984631 0.835574 0.400589 S\n0.664426 0.515369 0.900589 S\n0.484631 0.335574 0.099411 S\n0.664952 0.146493 0.918727 S\n0.853507 0.335048 0.081273 S\n0.164952 0.646493 0.581273 S\n0.353507 0.835048 0.418727 S\n0.204830 0.817974 0.802218 S\n0.182026 0.795170 0.197782 S\n0.704830 0.317974 0.697782 S\n0.682026 0.295170 0.302218 S\n0.574740 0.821505 0.809628 S\n0.178495 0.425260 0.190372 S\n0.074740 0.321505 0.690372 S\n0.678495 0.925260 0.309628 S\n0.871964 0.128036 0.500000 S\n0.371964 0.628036 -0.000000 S\n0.491223 0.118638 0.507752 S\n0.881362 0.508777 0.492248 S\n0.991223 0.618638 0.992248 S\n0.381362 0.008777 0.007752 S\n0.680278 0.813720 0.567851 S\n0.186280 0.319722 0.432149 S\n0.180278 0.313720 0.932149 S\n0.686280 0.819722 0.067851 S\n0.881376 0.003933 0.750985 S\n0.996067 0.118624 0.249015 S\n0.381376 0.503933 0.749015 S\n0.496067 0.618624 0.250985 S\n0.500158 0.499842 0.500000 S\n0.000158 0.999842 -0.000000 S\n0.390245 0.141455 0.754120 S\n0.858545 0.609755 0.245880 S\n0.890245 0.641455 0.745880 S\n0.358545 0.109755 0.254120 S\n",
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},
{
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