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{
"id": "mp-1220017",
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"structure_string": "Nd1 Nb4 O12\n1.0\n3.928255 -3.967743 0.000000\n3.928255 3.967743 0.000000\n0.000000 0.000000 7.957072\nNd Nb O\n1 4 12\ndirect\n0.258148 0.741852 0.000000 Nd\n0.249516 0.247030 0.740936 Nb\n0.752970 0.750484 0.740936 Nb\n0.752970 0.750484 0.259064 Nb\n0.249516 0.247030 0.259064 Nb\n0.210219 0.212859 0.500000 O\n0.787141 0.789781 0.500000 O\n0.012695 0.987305 0.802874 O\n0.012695 0.987305 0.197126 O\n0.282446 0.297347 0.000000 O\n0.702653 0.717554 0.000000 O\n0.489288 0.990369 0.772080 O\n0.009631 0.510712 0.227920 O\n0.489288 0.990369 0.227920 O\n0.009631 0.510712 0.772080 O\n0.493446 0.506554 0.728417 O\n0.493446 0.506554 0.271583 O\n",
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{
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{
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"structure_string": "La11 V4 O26\n1.0\n7.116656 0.000000 0.000000\n3.554474 9.656782 0.000000\n3.303791 1.213677 9.751375\nLa V O\n11 4 26\ndirect\n0.177482 0.638710 0.660954 La\n0.278685 0.985099 0.405053 La\n0.822518 0.361290 0.339046 La\n0.721315 0.014901 0.594947 La\n0.123557 0.970044 0.807844 La\n0.876443 0.029956 0.192156 La\n0.018960 0.331173 0.953341 La\n0.981040 0.668827 0.046659 La\n0.590365 0.657169 0.842915 La\n0.409635 0.342831 0.157085 La\n0.500000 0.000000 0.000000 La\n0.599590 0.317380 0.805113 V\n0.400410 0.682620 0.194887 V\n0.723440 0.728221 0.457608 V\n0.276560 0.271779 0.542392 V\n0.863164 0.631372 0.323782 O\n0.136836 0.368628 0.676218 O\n0.395471 0.263673 0.937360 O\n0.604529 0.736327 0.062640 O\n0.324288 0.605721 0.086856 O\n0.675712 0.394279 0.913144 O\n0.175086 0.315543 0.399106 O\n0.824914 0.684457 0.600894 O\n0.230744 0.848603 0.247951 O\n0.769256 0.151397 0.752049 O\n0.534728 0.266662 0.498314 O\n0.465272 0.733338 0.501686 O\n0.763398 0.273512 0.167464 O\n0.236602 0.726488 0.832536 O\n0.516504 0.461454 0.690806 O\n0.136453 0.081574 0.989129 O\n0.863547 0.918426 0.010871 O\n0.301194 0.092147 0.594562 O\n0.698806 0.907853 0.405438 O\n0.049129 0.892497 0.615995 O\n0.483496 0.538546 0.309194 O\n0.054506 0.420112 0.132574 O\n0.945494 0.579888 0.867426 O\n0.516284 0.906293 0.801205 O\n0.483716 0.093707 0.198795 O\n0.950871 0.107503 0.384005 O\n",
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"formula_full": "La11 V4 O26",
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},
{
"id": "mp-1197937",
"created_at": "2022-09-04T14:39:09.535488Z",
"structure_string": "H96 Rh8 N48 O60\n1.0\n15.228045 0.000000 0.000000\n0.000000 12.269180 0.000000\n0.000000 0.000000 10.542898\nH Rh N O\n96 8 48 60\ndirect\n0.533912 0.872205 0.827125 H\n0.466088 0.127795 0.327125 H\n0.966088 0.372205 0.327125 H\n0.033912 0.627795 0.827125 H\n0.495146 0.838226 0.687469 H\n0.504854 0.161774 0.187469 H\n0.004854 0.338226 0.187469 H\n0.995146 0.661774 0.687469 H\n0.467358 0.766437 0.811384 H\n0.532642 0.233563 0.311384 H\n0.032642 0.266437 0.311384 H\n0.967358 0.733563 0.811384 H\n0.669329 0.855734 0.909783 H\n0.330671 0.144266 0.409783 H\n0.830671 0.355734 0.409783 H\n0.169329 0.644266 0.909783 H\n0.747159 0.763835 0.911757 H\n0.252841 0.236165 0.411757 H\n0.752841 0.263835 0.411757 H\n0.247159 0.736165 0.911757 H\n0.745116 0.853957 0.793642 H\n0.254884 0.146043 0.293642 H\n0.754884 0.353957 0.293642 H\n0.245116 0.646043 0.793642 H\n0.639498 0.632866 0.981457 H\n0.360502 0.367134 0.481457 H\n0.860502 0.132866 0.481457 H\n0.139498 0.867134 0.981457 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H\n0.330981 0.105111 0.829545 H\n0.830981 0.394889 0.829545 H\n0.169019 0.605111 0.329545 H\n0.761395 0.835296 0.375597 H\n0.238605 0.164704 0.875597 H\n0.738605 0.335296 0.875597 H\n0.261395 0.664704 0.375597 H\n0.713922 0.800621 0.238737 H\n0.286078 0.199379 0.738737 H\n0.786078 0.300621 0.738737 H\n0.213922 0.699379 0.238737 H\n0.530874 0.656111 0.222538 H\n0.469126 0.343889 0.722538 H\n0.969126 0.156111 0.722538 H\n0.030874 0.843889 0.222538 H\n0.636358 0.625253 0.195124 H\n0.363642 0.374747 0.695124 H\n0.863642 0.125253 0.695124 H\n0.136358 0.874747 0.195124 H\n0.574668 0.544940 0.282518 H\n0.425332 0.455060 0.782518 H\n0.925332 0.044940 0.782518 H\n0.074668 0.955060 0.282518 H\n0.723510 0.530057 0.463904 H\n0.276490 0.469943 0.963904 H\n0.776490 0.030057 0.963904 H\n0.223510 0.969943 0.463904 H\n0.762439 0.594060 0.335660 H\n0.237561 0.405940 0.835660 H\n0.737561 0.094060 0.835660 H\n0.262439 0.905940 0.335660 H\n0.788197 0.639352 0.478437 H\n0.211803 0.360648 0.978437 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"volume_molar": 5.595446347488605,
"formula_full": "H96 Rh8 N48 O60",
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"energy": -1187.6233809100002,
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"updated_at": "2021-11-28T01:34:42.516000Z",
"spacegroup": 33
},
{
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"structure_string": "Na3 P1 Se4\n1.0\n-3.689800 3.689800 3.689800\n3.689800 -3.689800 3.689800\n3.689800 3.689800 -3.689800\nNa P Se\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 P\n0.351780 0.000000 0.000000 Se\n0.000000 0.351780 0.000000 Se\n0.000000 0.000000 0.351780 Se\n0.648220 0.648220 0.648220 Se\n",
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"spacegroup": 217
},
{
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"created_at": "2022-09-04T14:39:09.557449Z",
"structure_string": "Yb1 B2 Ru3\n1.0\n2.781670 -4.817993 0.000000\n2.781670 4.817993 0.000000\n0.000000 0.000000 2.948440\nYb B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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},
{
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"structure_string": "Cd2 Si2 As4\n1.0\n-2.991571 2.991571 5.551493\n2.991571 -2.991571 5.551493\n2.991571 2.991571 -5.551493\nCd Si As\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.585115 0.125000 0.960115 As\n0.875000 0.835115 0.460115 As\n0.375000 0.414885 0.539885 As\n0.164885 0.625000 0.039885 As\n",
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