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{
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"results": [
{
"id": "mp-774661",
"created_at": "2022-09-04T14:44:09.754822Z",
"structure_string": "Na8 Ni4 P4 C4 O28\n1.0\n6.615069 0.000000 0.000000\n0.016195 10.177369 0.000000\n0.024080 5.039755 9.074414\nNa Ni P C O\n8 4 4 4 28\ndirect\n0.541378 0.732286 0.254602 Na\n0.010434 0.253502 0.260270 Na\n0.490522 0.254706 0.259205 Na\n0.232564 0.072471 0.074921 Na\n0.989186 0.748923 0.749133 Na\n0.508868 0.749526 0.744716 Na\n0.011253 0.261426 0.737087 Na\n0.487478 0.261425 0.737012 Na\n0.246275 0.650816 0.066987 Ni\n0.750308 0.352216 0.435669 Ni\n0.246148 0.651287 0.560877 Ni\n0.748404 0.348416 0.935110 Ni\n0.750143 0.578583 0.065454 P\n0.249770 0.425244 0.428328 P\n0.748994 0.577029 0.573240 P\n0.249499 0.420015 0.932234 P\n0.745862 0.077091 0.106549 C\n0.749897 0.075884 0.602526 C\n0.252837 0.926228 0.391455 C\n0.253201 0.928699 0.893665 C\n0.255664 0.863937 0.036562 O\n0.939159 0.674988 0.041930 O\n0.563857 0.674848 0.054031 O\n0.259382 0.573282 0.283827 O\n0.743601 0.538441 0.445265 O\n0.249841 0.452841 0.064968 O\n0.752492 0.430526 0.213293 O\n0.061385 0.330321 0.441987 O\n0.436718 0.325929 0.446401 O\n0.750122 0.177183 0.151055 O\n0.750719 0.169884 0.653451 O\n0.750823 0.140828 0.459266 O\n0.251051 0.067839 0.307326 O\n0.251113 0.071144 0.817817 O\n0.737681 0.939371 0.191480 O\n0.748165 0.935991 0.682523 O\n0.245618 0.863314 0.534327 O\n0.260816 0.832929 0.340958 O\n0.251736 0.838329 0.839439 O\n0.936664 0.669322 0.565401 O\n0.561839 0.673106 0.560427 O\n0.250704 0.570031 0.787179 O\n0.742924 0.541053 0.935364 O\n0.249464 0.457523 0.562287 O\n0.746961 0.424476 0.718682 O\n0.433422 0.318864 0.947509 O\n0.063569 0.321442 0.945949 O\n0.751333 0.136238 0.963401 O\n",
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],
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"volume": 610.9258315612291,
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"formula_full": "Na8 Ni4 P4 C4 O28",
"formula_reduced": "Na2NiPCO7",
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"energy": -330.64955936,
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"updated_at": "2021-11-28T01:36:30.799000Z",
"spacegroup": 1
},
{
"id": "mp-1174907",
"created_at": "2022-09-04T14:44:09.766156Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.367396 2.502310 0.000000\n-4.367396 2.502310 0.000000\n0.000000 1.736514 9.638020\nLi Mn Co O\n7 2 3 12\ndirect\n0.748140 0.744130 0.746628 Li\n0.578177 0.909212 0.253578 Li\n0.255870 0.251860 0.253372 Li\n0.090788 0.421823 0.746422 Li\n0.913087 0.585574 0.253576 Li\n0.414426 0.086913 0.746424 Li\n0.499196 0.500804 0.500000 Li\n0.999194 0.000806 0.000000 Mn\n0.833856 0.166144 0.500000 Mn\n0.670406 0.329594 0.000000 Co\n0.332768 0.667232 0.000000 Co\n0.164779 0.835221 0.500000 Co\n0.648209 0.641737 0.117423 O\n0.460847 0.821354 0.611830 O\n0.104710 0.100852 0.609600 O\n0.950778 0.269452 0.116370 O\n0.827597 0.468071 0.609592 O\n0.285562 0.976925 0.114263 O\n0.899148 0.895290 0.390400 O\n0.730548 0.049222 0.883630 O\n0.358263 0.351791 0.882577 O\n0.178646 0.539153 0.388170 O\n0.023075 0.714438 0.885737 O\n0.531929 0.172403 0.390408 O\n",
"nsites": 24,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.156125883268621,
"density_atomic": 0.11392780743629775,
"volume": 210.65971987058117,
"volume_molar": 5.285927023011703,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.12127621,
"energy_per_atom": -6.546719842083333,
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"updated_at": "2021-11-28T01:36:30.509000Z",
"spacegroup": 5
},
{
"id": "mp-1110949",
"created_at": "2022-09-04T14:44:10.060821Z",
"structure_string": "K2 Ag1 Sb1 I6\n1.0\n0.000000 6.018643 6.018643\n6.018643 0.000000 6.018643\n6.018643 6.018643 0.000000\nK Ag Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.748463 0.251537 0.251537 I\n0.251537 0.251537 0.748463 I\n0.251537 0.748463 0.748463 I\n0.251537 0.748463 0.251537 I\n0.748463 0.251537 0.748463 I\n0.748463 0.748463 0.251537 I\n",
"nsites": 10,
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"elements": [
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"Sb",
"I"
],
"chemical_system": "Ag-I-K-Sb",
"density": 4.071957794186022,
"density_atomic": 0.022933706674058234,
"volume": 436.0394131713402,
"volume_molar": 26.258907230256085,
"formula_full": "K2 Ag1 Sb1 I6",
"formula_reduced": "K2AgSbI6",
"formula_anonymous": "ABC2D6",
"energy": -27.90851996,
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"spacegroup": 225
},
{
"id": "mp-1182041",
"created_at": "2022-09-04T14:44:09.756170Z",
"structure_string": "Fe4 S4 Cl4 O40\n1.0\n7.022028 0.000000 0.000000\n0.000000 11.196516 0.000000\n0.000000 2.960054 13.809978\nFe S Cl O\n4 4 4 40\ndirect\n0.168939 0.678376 0.083324 Fe\n0.668939 0.321624 0.416676 Fe\n0.831061 0.321624 0.916676 Fe\n0.331061 0.678376 0.583324 Fe\n0.840636 0.739824 0.213351 S\n0.340636 0.260176 0.286649 S\n0.159364 0.260176 0.786649 S\n0.659364 0.739824 0.713351 S\n0.151994 0.824152 0.886052 Cl\n0.651994 0.175848 0.613948 Cl\n0.848006 0.175848 0.113948 Cl\n0.348006 0.824152 0.386052 Cl\n0.230339 0.016016 0.077897 O\n0.730339 0.983984 0.422103 O\n0.769661 0.983984 0.922103 O\n0.269661 0.016016 0.577897 O\n0.290348 0.786977 0.980704 O\n0.790348 0.213023 0.519296 O\n0.709652 0.213023 0.019296 O\n0.209652 0.786977 0.480704 O\n0.149012 0.545333 0.054631 O\n0.649012 0.454667 0.445369 O\n0.850988 0.454667 0.945369 O\n0.350988 0.545333 0.554631 O\n0.316019 0.688526 0.168849 O\n0.816019 0.311474 0.331151 O\n0.683981 0.311474 0.831151 O\n0.183981 0.688526 0.668849 O\n0.937244 0.742166 0.112881 O\n0.437244 0.257834 0.387119 O\n0.062756 0.257834 0.887119 O\n0.562756 0.742166 0.612881 O\n0.573069 0.524551 0.008211 O\n0.073069 0.475449 0.491789 O\n0.426931 0.475449 0.991789 O\n0.926931 0.524551 0.508211 O\n0.697689 0.641333 0.230205 O\n0.197689 0.358667 0.269795 O\n0.302311 0.358667 0.769795 O\n0.802311 0.641333 0.730205 O\n0.752534 0.859968 0.204531 O\n0.252534 0.140032 0.295469 O\n0.247466 0.140032 0.795469 O\n0.747466 0.859968 0.704531 O\n0.985601 0.713083 0.289699 O\n0.485601 0.286917 0.210301 O\n0.014399 0.286917 0.710301 O\n0.514399 0.713083 0.789699 O\n0.621289 0.993891 0.875616 O\n0.121289 0.006109 0.624384 O\n0.378711 0.006109 0.124384 O\n0.878711 0.993891 0.375616 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
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"S",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-O-S",
"density": 1.7334231248401997,
"density_atomic": 0.04789221185798997,
"volume": 1085.771526990452,
"volume_molar": 12.574363401416615,
"formula_full": "Fe4 S4 Cl4 O40",
"formula_reduced": "FeSClO10",
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"energy": -275.16039602,
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"updated_at": "2021-11-28T01:36:26.166000Z",
"spacegroup": 14
},
{
"id": "mp-1236231",
"created_at": "2022-09-04T14:44:09.812913Z",
"structure_string": "Li1 Zn2 Fe4 O8\n1.0\n5.324890 0.133533 3.244099\n1.900860 4.975843 3.244099\n0.129381 0.091486 6.260324\nLi Zn Fe O\n1 2 4 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.975110 0.975109 0.988638 Fe\n0.274890 0.274891 0.261362 Fe\n0.625000 0.625000 0.125000 Fe\n0.625000 0.625000 0.625000 Fe\n0.394114 0.394114 0.388776 O\n0.378879 0.378879 0.879406 O\n0.379604 0.882479 0.355411 O\n0.882478 0.379607 0.355410 O\n0.367522 0.870393 0.894590 O\n0.870396 0.367521 0.894589 O\n0.871121 0.871121 0.370594 O\n0.855886 0.855886 0.861224 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Fe-Li-O-Zn",
"density": 5.037541222472868,
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"volume": 161.23470003316928,
"volume_molar": 6.473187059974147,
"formula_full": "Li1 Zn2 Fe4 O8",
"formula_reduced": "LiZn2(FeO2)4",
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"energy": -101.81566199,
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"updated_at": "2021-11-28T01:36:34.857000Z",
"spacegroup": 12
},
{
"id": "mp-1101180",
"created_at": "2022-09-04T14:44:09.815515Z",
"structure_string": "Zn11 Fe25 O48\n1.0\n-8.562691 4.284426 4.284426\n-4.275306 -8.560604 4.288331\n8.550613 4.272274 4.272274\nZn Fe O\n11 25 48\ndirect\n0.561546 0.666667 0.020443 Zn\n0.938091 0.334106 0.479257 Zn\n0.561591 0.333959 0.353918 Zn\n0.435774 0.998632 0.312222 Zn\n0.434797 0.666667 0.644158 Zn\n0.938091 0.999227 0.811817 Zn\n0.064345 0.999839 0.187391 Zn\n0.064060 0.666667 0.520849 Zn\n0.561591 0.999374 0.686625 Zn\n0.435774 0.334701 0.980256 Zn\n0.064345 0.333494 0.854219 Zn\n0.937431 0.666667 0.146770 Fe\n0.748059 0.831961 0.417868 Fe\n0.751465 0.168002 0.084366 Fe\n0.748059 0.501372 0.252574 Fe\n0.254491 0.666667 0.084253 Fe\n0.749444 0.001300 0.249550 Fe\n0.499288 0.999938 0.000185 Fe\n0.498549 0.666667 0.334049 Fe\n0.747993 0.666667 0.581922 Fe\n0.749228 0.835075 0.915883 Fe\n0.751465 0.165331 0.583031 Fe\n0.250180 0.833729 0.417238 Fe\n0.249222 0.167002 0.082970 Fe\n0.250180 0.499605 0.250176 Fe\n0.749228 0.498258 0.747474 Fe\n0.749444 0.332034 0.914918 Fe\n0.249371 0.335199 0.417568 Fe\n0.499288 0.333395 0.666913 Fe\n0.001452 0.333050 0.167026 Fe\n0.250029 0.499850 0.750194 Fe\n0.250029 0.833483 0.917010 Fe\n0.249222 0.166332 0.582636 Fe\n0.249371 0.998134 0.749036 Fe\n0.001452 0.000283 0.500643 Fe\n0.002713 0.666667 0.832158 Fe\n0.631097 0.847557 0.043532 O\n0.873560 0.491020 0.123522 O\n0.873560 0.842313 0.299169 O\n0.641608 0.333842 0.046696 O\n0.871792 0.333791 0.275538 O\n0.859920 0.000032 0.119721 O\n0.637252 0.666667 0.222243 O\n0.861106 0.666667 0.453732 O\n0.630693 0.152487 0.196281 O\n0.637864 0.824690 0.536916 O\n0.130239 0.818946 0.028373 O\n0.637864 0.508644 0.378893 O\n0.359716 0.509063 0.130486 O\n0.359716 0.824271 0.288090 O\n0.870842 0.151524 0.455295 O\n0.871391 0.514504 0.640332 O\n0.871391 0.818829 0.792496 O\n0.359491 0.666667 0.443720 O\n0.369262 0.000494 0.109705 O\n0.640487 0.666667 0.715358 O\n0.641608 0.999491 0.379521 O\n0.132283 0.666667 0.210861 O\n0.871792 0.999543 0.608415 O\n0.873613 0.666667 0.950144 O\n0.128871 0.332739 0.056267 O\n0.358494 0.333786 0.286631 O\n0.859920 0.333302 0.786356 O\n0.630278 0.332364 0.557333 O\n0.128619 0.847344 0.543155 O\n0.130374 0.181214 0.210707 O\n0.630693 0.180847 0.710461 O\n0.128619 0.485990 0.362477 O\n0.631097 0.485776 0.862641 O\n0.368835 0.181660 0.470621 O\n0.369676 0.847050 0.804146 O\n0.369676 0.486283 0.623763 O\n0.870842 0.181809 0.970438 O\n0.369262 0.332839 0.775878 O\n0.140564 0.333746 0.547187 O\n0.128871 0.000594 0.390195 O\n0.358494 0.999548 0.619512 O\n0.630278 0.000969 0.891636 O\n0.360216 0.666667 0.953106 O\n0.131505 0.666667 0.722899 O\n0.130374 0.152119 0.696159 O\n0.130239 0.514387 0.876093 O\n0.368835 0.151674 0.955627 O\n0.140564 0.999587 0.880107 O\n",
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"volume": 940.755729842982,
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"formula_full": "Zn11 Fe25 O48",
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"spacegroup": 8
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{
"id": "mp-1080319",
"created_at": "2022-09-04T14:44:09.840919Z",
"structure_string": "Ce1 Se2\n1.0\n1.444923 2.502957 0.000000\n-1.444923 2.502957 0.000000\n0.000000 1.763229 25.028639\nCe Se\n1 2\ndirect\n0.500032 0.499968 0.500000 Ce\n0.537934 0.583965 0.810697 Se\n0.416035 0.462066 0.189303 Se\n",
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{
"id": "mp-1219615",
"created_at": "2022-09-04T14:44:09.860146Z",
"structure_string": "Rb4 S4 N4 O4\n1.0\n0.000000 6.686181 0.000000\n0.000000 0.000000 7.623745\n8.370014 0.000000 0.000000\nRb S N O\n4 4 4 4\ndirect\n0.249155 0.356991 0.642156 Rb\n0.250845 0.143009 0.142156 Rb\n0.749155 0.643009 0.357844 Rb\n0.750845 0.856991 0.857844 Rb\n0.247699 0.837086 0.608857 S\n0.252301 0.662914 0.108857 S\n0.747699 0.162914 0.391143 S\n0.752301 0.337086 0.891143 S\n0.056482 0.739696 0.609240 N\n0.443518 0.760304 0.109240 N\n0.556482 0.260304 0.390760 N\n0.943518 0.239696 0.890760 N\n0.946478 0.260052 0.390030 O\n0.553522 0.239948 0.890030 O\n0.446478 0.739948 0.609970 O\n0.053522 0.760052 0.109970 O\n",
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"volume": 426.65090879320826,
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