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{
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"results": [
{
"id": "mp-1205351",
"created_at": "2022-09-04T14:44:19.271208Z",
"structure_string": "La8 Se6 N4\n1.0\n5.197605 6.711137 0.000000\n-5.197605 6.711137 0.000000\n0.000000 0.008502 6.645824\nLa Se N\n8 6 4\ndirect\n0.808237 0.444574 0.029523 La\n0.555426 0.191763 0.470477 La\n0.191763 0.555426 0.970477 La\n0.444574 0.808237 0.529523 La\n0.242935 0.086001 0.072997 La\n0.913999 0.757065 0.427003 La\n0.757065 0.913999 0.927003 La\n0.086001 0.242935 0.572997 La\n0.902528 0.097472 0.250000 Se\n0.097472 0.902528 0.750000 Se\n0.485024 0.746231 0.034315 Se\n0.253769 0.514976 0.465685 Se\n0.514976 0.253769 0.965685 Se\n0.746231 0.485024 0.534314 Se\n0.919132 0.670062 0.085647 N\n0.329938 0.080868 0.414353 N\n0.080868 0.329938 0.914353 N\n0.670062 0.919132 0.585647 N\n",
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{
"id": "mp-1072880",
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"structure_string": "Nd4 Fe2\n1.0\n6.867589 -2.620960 0.000000\n6.867589 2.620960 0.000000\n5.867321 0.000000 4.428065\nNd Fe\n4 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.243773 0.243773 0.243773 Nd\n0.756227 0.756227 0.756227 Nd\n0.367740 0.367740 0.367740 Fe\n0.632260 0.632260 0.632260 Fe\n",
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"updated_at": "2021-11-28T01:36:34.054000Z",
"spacegroup": 166
},
{
"id": "mp-1217425",
"created_at": "2022-09-04T14:44:19.278191Z",
"structure_string": "U4 Nb12 O42\n1.0\n5.362377 5.226809 0.000000\n-5.362377 5.226809 0.000000\n0.000000 4.972003 15.721538\nU Nb O\n4 12 42\ndirect\n0.162132 0.165810 0.668840 U\n0.837868 0.834190 0.331160 U\n0.165810 0.162132 0.168840 U\n0.834190 0.837868 0.831160 U\n0.661917 0.681788 0.668546 Nb\n0.338083 0.318212 0.331454 Nb\n0.000000 0.000000 0.000000 Nb\n0.318212 0.338083 0.831454 Nb\n0.000000 0.000000 0.500000 Nb\n0.681788 0.661917 0.168546 Nb\n0.822907 0.333996 0.833523 Nb\n0.500000 0.000000 0.500000 Nb\n0.177093 0.666004 0.166477 Nb\n0.666004 0.177093 0.666477 Nb\n0.333996 0.822907 0.333523 Nb\n0.000000 0.500000 0.000000 Nb\n0.711646 0.428761 0.649565 O\n0.334275 0.104928 0.274361 O\n0.992687 0.772725 0.946945 O\n0.823593 0.601441 0.769470 O\n0.476942 0.216300 0.410972 O\n0.142851 0.905855 0.089819 O\n0.445297 0.554703 0.750000 O\n0.109493 0.220626 0.415289 O\n0.779374 0.890507 0.084711 O\n0.571239 0.288354 0.850435 O\n0.227275 0.007313 0.553055 O\n0.895072 0.665725 0.225639 O\n0.398559 0.176407 0.730530 O\n0.094145 0.857149 0.410181 O\n0.783700 0.523058 0.089028 O\n0.847854 0.152146 0.750000 O\n0.455288 0.843854 0.423568 O\n0.156146 0.544712 0.076432 O\n0.665725 0.895072 0.725639 O\n0.288354 0.571239 0.350435 O\n0.007313 0.227275 0.053055 O\n0.857149 0.094145 0.910181 O\n0.523058 0.783700 0.589028 O\n0.176407 0.398559 0.230530 O\n0.220626 0.109493 0.915289 O\n0.890507 0.779374 0.584711 O\n0.554703 0.445297 0.250000 O\n0.428761 0.711646 0.149565 O\n0.104928 0.334275 0.774361 O\n0.772725 0.992687 0.446945 O\n0.216300 0.476942 0.910972 O\n0.905855 0.142851 0.589819 O\n0.601441 0.823593 0.269470 O\n0.843854 0.455288 0.923568 O\n0.544712 0.156146 0.576432 O\n0.152146 0.847854 0.250000 O\n0.385675 0.215291 0.096386 O\n0.086398 0.913602 0.750000 O\n0.784709 0.614325 0.403614 O\n0.614325 0.784709 0.903614 O\n0.215291 0.385675 0.596386 O\n0.913602 0.086398 0.250000 O\n",
"nsites": 58,
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"elements": [
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],
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"volume": 881.2903187736229,
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"formula_full": "U4 Nb12 O42",
"formula_reduced": "U2Nb6O21",
"formula_anonymous": "A2B6C21",
"energy": -554.39049975,
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"spacegroup": 15
},
{
"id": "mp-26279",
"created_at": "2022-09-04T14:44:19.287150Z",
"structure_string": "Li2 Cr2 P8 O24\n1.0\n4.186558 5.974735 0.000000\n-4.186558 5.974735 0.000000\n0.000000 4.551102 8.746309\nLi Cr P O\n2 2 8 24\ndirect\n0.038728 0.961272 0.250000 Li\n0.961272 0.038728 0.750000 Li\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.317554 0.303875 0.695793 P\n0.731455 0.259609 0.471371 P\n0.696125 0.682446 0.804207 P\n0.259609 0.731455 0.971371 P\n0.303875 0.317553 0.195793 P\n0.268545 0.740391 0.528629 P\n0.682446 0.696125 0.304207 P\n0.740391 0.268545 0.028629 P\n0.492855 0.780499 0.431708 O\n0.188703 0.340652 0.351991 O\n0.811297 0.659348 0.648009 O\n0.318990 0.806560 0.071140 O\n0.465885 0.677063 0.836486 O\n0.089531 0.850733 0.906638 O\n0.872926 0.698715 0.331951 O\n0.806560 0.318990 0.571140 O\n0.219501 0.507145 0.068292 O\n0.149267 0.910469 0.593362 O\n0.677063 0.465885 0.336486 O\n0.322937 0.534115 0.663514 O\n0.659348 0.811297 0.148009 O\n0.301285 0.127074 0.168049 O\n0.534115 0.322937 0.163514 O\n0.340652 0.188703 0.851991 O\n0.681010 0.193440 0.928860 O\n0.507145 0.219501 0.568292 O\n0.850733 0.089531 0.406638 O\n0.780499 0.492855 0.931708 O\n0.193440 0.681010 0.428860 O\n0.127074 0.301285 0.668049 O\n0.910469 0.149267 0.093362 O\n0.698715 0.872926 0.831951 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.844965541127822,
"density_atomic": 0.0822757649351976,
"volume": 437.5529055044882,
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"formula_full": "Li2 Cr2 P8 O24",
"formula_reduced": "LiCr(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -279.54405298,
"energy_per_atom": -7.765112582777778,
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"updated_at": "2021-11-28T01:36:35.035000Z",
"spacegroup": 15
},
{
"id": "mp-1038972",
"created_at": "2022-09-04T14:44:20.693325Z",
"structure_string": "Mg1 Cd1\n1.0\n4.798411 -1.667390 0.000000\n4.798411 1.667390 0.000000\n4.219013 0.000000 2.829288\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
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"formula_full": "Mg1 Cd1",
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"energy": -2.6376217,
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"updated_at": "2021-11-28T01:36:25.324000Z",
"spacegroup": 166
},
{
"id": "mp-1234682",
"created_at": "2022-09-04T14:44:19.294132Z",
"structure_string": "Ca1 La2 Co2 Sb2 Pb2 O12\n1.0\n6.133345 -0.585394 0.548832\n-0.611703 6.103356 -0.514502\n0.730293 -0.642225 9.021457\nCa La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.381857 0.655056 0.152907 Ca\n0.457838 0.450000 0.736898 La\n0.040527 0.028809 0.347181 La\n0.990040 0.522142 0.522366 Co\n0.433063 0.013461 0.937471 Co\n0.940846 0.549893 0.951560 Sb\n0.500858 0.954929 0.522804 Sb\n0.634411 0.301570 0.265588 Pb\n0.900229 0.992972 0.761932 Pb\n0.650685 0.938207 0.299076 O\n0.059789 0.554666 0.731547 O\n0.359218 0.028474 0.735956 O\n0.992164 0.388394 0.310671 O\n0.237865 0.759653 0.442920 O\n0.606816 0.760447 0.908259 O\n0.768253 0.195471 0.574584 O\n0.200965 0.410527 0.965264 O\n0.370283 0.220129 0.480702 O\n0.699952 0.277174 0.923473 O\n0.673647 0.725852 0.559514 O\n0.255454 0.959674 0.127660 O\n",
"nsites": 21,
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"elements": [
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"formula_full": "Ca1 La2 Co2 Sb2 Pb2 O12",
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{
"id": "mp-1195696",
"created_at": "2022-09-04T14:44:19.296705Z",
"structure_string": "Gd4 Mo6 O24\n1.0\n5.780191 3.844806 0.000000\n-5.780191 3.844806 0.000000\n0.000000 3.808545 10.959867\nGd Mo O\n4 6 24\ndirect\n0.197478 0.452104 0.091551 Gd\n0.547896 0.802522 0.408449 Gd\n0.802522 0.547896 0.908449 Gd\n0.452104 0.197478 0.591551 Gd\n0.621543 0.378457 0.250000 Mo\n0.378457 0.621543 0.750000 Mo\n0.020438 0.300510 0.441858 Mo\n0.699490 0.979562 0.058142 Mo\n0.979562 0.699490 0.558142 Mo\n0.300510 0.020438 0.941858 Mo\n0.511971 0.091449 0.281371 O\n0.908551 0.488029 0.218629 O\n0.488029 0.908551 0.718629 O\n0.091449 0.511971 0.781371 O\n0.553319 0.469386 0.111012 O\n0.530614 0.446681 0.388988 O\n0.446681 0.530614 0.888988 O\n0.469386 0.553319 0.611012 O\n0.146725 0.278134 0.298567 O\n0.721866 0.853275 0.201433 O\n0.853275 0.721866 0.701433 O\n0.278134 0.146725 0.798567 O\n0.725403 0.132801 0.459001 O\n0.867199 0.274597 0.040999 O\n0.274597 0.867199 0.540999 O\n0.132801 0.725403 0.959001 O\n0.400122 0.826556 0.085691 O\n0.173444 0.599878 0.414309 O\n0.599878 0.173444 0.914309 O\n0.826556 0.400122 0.585691 O\n0.885257 0.820563 0.447901 O\n0.179437 0.114743 0.052099 O\n0.114743 0.179437 0.552099 O\n0.820563 0.885257 0.947901 O\n",
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"volume": 487.13787828410824,
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"formula_full": "Gd4 Mo6 O24",
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"formula_anonymous": "A2B3C12",
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{
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"created_at": "2022-09-04T14:44:19.309303Z",
"structure_string": "Mg14 Cr1 C1\n1.0\n6.305467 -0.080398 0.000000\n-3.222360 5.581291 0.000000\n0.000000 0.000000 9.682850\nMg Cr C\n14 1 1\ndirect\n0.177656 0.338827 0.625000 Mg\n0.171235 0.835617 0.625000 Mg\n0.738906 0.379480 0.125000 Mg\n0.659976 0.334823 0.625000 Mg\n0.738906 0.859425 0.125000 Mg\n0.659976 0.825152 0.625000 Mg\n0.317881 0.143415 0.337038 Mg\n0.317881 0.143415 0.912962 Mg\n0.317881 0.674467 0.337038 Mg\n0.317881 0.674467 0.912962 Mg\n0.834465 0.167233 0.376886 Mg\n0.834465 0.167233 0.873114 Mg\n0.837505 0.668753 0.367060 Mg\n0.837505 0.668753 0.882940 Mg\n0.173187 0.336593 0.125000 Cr\n0.064690 0.782345 0.125000 C\n",
"nsites": 16,
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"elements": [
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"formula_full": "Mg14 Cr1 C1",
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{
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"structure_string": "Na1 Li2 V1 F6\n1.0\n5.792956 0.000000 0.000000\n2.896478 5.016847 0.000000\n2.896478 1.672282 4.729929\nNa Li V F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 V\n0.236214 0.763786 0.236214 F\n0.763786 0.763786 0.236214 F\n0.763786 0.236214 0.763786 F\n0.763786 0.236214 0.236214 F\n0.236214 0.763786 0.763786 F\n0.236214 0.236214 0.763786 F\n",
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},
{
"id": "mp-1183089",
"created_at": "2022-09-04T14:44:19.313932Z",
"structure_string": "Ac4 Mg2\n1.0\n2.036575 7.280329 0.000000\n-2.036575 7.280329 0.000000\n0.000000 2.276016 7.840958\nAc Mg\n4 2\ndirect\n0.851343 0.851343 0.570096 Ac\n0.148657 0.148657 0.429904 Ac\n0.843076 0.843076 0.082161 Ac\n0.156924 0.156924 0.917839 Ac\n0.496994 0.496994 0.762259 Mg\n0.503006 0.503006 0.237741 Mg\n",
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{
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{
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]
}