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{
"id": "mp-555994",
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"structure_string": "Sr6 Li2 Cr2 N8 O1\n1.0\n6.211386 0.000000 0.000000\n2.354487 6.454023 0.000000\n1.957235 0.370159 7.335237\nSr Li Cr N O\n6 2 2 8 1\ndirect\n0.199872 0.379402 0.301979 Sr\n0.292825 0.864556 0.070382 Sr\n0.700057 0.188004 0.468009 Sr\n0.299943 0.811996 0.531991 Sr\n0.707175 0.135444 0.929618 Sr\n0.800128 0.620598 0.698021 Sr\n0.225395 0.509660 0.908311 Li\n0.774605 0.490340 0.091689 Li\n0.788236 0.787961 0.250783 Cr\n0.211764 0.212039 0.749217 Cr\n0.533550 0.011384 0.265466 N\n0.987011 0.820084 0.364852 N\n0.715083 0.568596 0.357549 N\n0.922537 0.744678 0.020518 N\n0.284917 0.431404 0.642451 N\n0.466450 0.988616 0.734534 N\n0.077463 0.255322 0.979482 N\n0.012989 0.179916 0.635148 N\n0.500000 0.500000 0.000000 O\n",
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},
{
"id": "mp-28019",
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"structure_string": "Nb2 Cr2 Se10\n1.0\n3.549959 0.000000 0.000000\n0.000000 9.502880 0.000000\n0.000000 4.633473 9.434543\nNb Cr Se\n2 2 10\ndirect\n0.750000 0.272300 0.636448 Nb\n0.250000 0.727700 0.363552 Nb\n0.250000 0.430797 0.895504 Cr\n0.750000 0.569203 0.104496 Cr\n0.750000 0.517357 0.365330 Se\n0.250000 0.364189 0.150756 Se\n0.250000 0.482643 0.634670 Se\n0.750000 0.830205 0.495628 Se\n0.250000 0.169795 0.504372 Se\n0.250000 0.039031 0.757719 Se\n0.250000 0.766175 0.088322 Se\n0.750000 0.960969 0.242281 Se\n0.750000 0.233825 0.911678 Se\n0.750000 0.635811 0.849244 Se\n",
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],
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"formula_full": "Nb2 Cr2 Se10",
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"updated_at": "2021-11-28T01:34:48.017000Z",
"spacegroup": 11
},
{
"id": "mp-1094139",
"created_at": "2022-09-04T14:40:26.998070Z",
"structure_string": "Ni4 O10\n1.0\n2.389984 5.581921 0.000000\n-2.389984 5.581921 0.000000\n0.000000 1.074540 5.339699\nNi O\n4 10\ndirect\n0.918648 0.364768 0.698961 Ni\n0.635232 0.081352 0.801039 Ni\n0.081352 0.635232 0.301039 Ni\n0.364768 0.918648 0.198961 Ni\n0.856580 0.719957 0.621647 O\n0.280043 0.143420 0.878353 O\n0.143420 0.280043 0.378353 O\n0.719957 0.856580 0.121647 O\n0.016459 0.983541 0.250000 O\n0.983541 0.016459 0.750000 O\n0.464976 0.418701 0.502818 O\n0.581299 0.535024 0.997182 O\n0.535024 0.581299 0.497182 O\n0.418701 0.464976 0.002818 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ni-O",
"density": 4.601136817709952,
"density_atomic": 0.09826584302911548,
"volume": 142.47066496800824,
"volume_molar": 6.128417132915332,
"formula_full": "Ni4 O10",
"formula_reduced": "Ni2O5",
"formula_anonymous": "A2B5",
"energy": -75.18874857,
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"updated_at": "2021-11-28T01:34:46.634000Z",
"spacegroup": 15
},
{
"id": "mp-113",
"created_at": "2022-09-04T14:40:26.996512Z",
"structure_string": "Tc2\n1.0\n1.380358 -2.390851 0.000000\n1.380358 2.390851 0.000000\n0.000000 0.000000 4.421340\nTc\n2\ndirect\n0.333333 0.666667 0.250000 Tc\n0.666667 0.333333 0.750000 Tc\n",
"nsites": 2,
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"energy": -20.72123982,
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"updated_at": "2021-11-28T01:35:00.179000Z",
"spacegroup": 194
},
{
"id": "mp-18825",
"created_at": "2022-09-04T14:40:26.990379Z",
"structure_string": "Y2 Cr2 O8\n1.0\n5.772627 -0.016629 -1.664782\n-3.270068 4.754344 -1.665983\n2.507499 4.745534 2.659096\nY Cr O\n2 2 8\ndirect\n0.874937 0.624966 0.250054 Y\n0.125024 0.375008 0.750039 Y\n0.375042 0.125015 0.249916 Cr\n0.624889 0.874964 0.750114 Cr\n0.366787 0.294639 0.438503 O\n0.796375 0.233509 0.570721 O\n0.804088 0.867053 0.929380 O\n0.733400 0.305361 0.061358 O\n0.194742 0.766920 0.438384 O\n0.633094 0.695826 0.570588 O\n0.266441 0.703663 0.929444 O\n0.205179 0.133076 0.061498 O\n",
"nsites": 12,
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"elements": [
"Y",
"Cr",
"O"
],
"chemical_system": "Cr-O-Y",
"density": 4.143670422128382,
"density_atomic": 0.07307121920100622,
"volume": 164.22334444687567,
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"formula_full": "Y2 Cr2 O8",
"formula_reduced": "YCrO4",
"formula_anonymous": "ABC4",
"energy": -104.99528759999998,
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"updated_at": "2021-11-28T01:34:47.812000Z",
"spacegroup": 141
},
{
"id": "mp-28933",
"created_at": "2022-09-04T14:40:26.989030Z",
"structure_string": "Br16 O24\n1.0\n8.242364 0.000000 0.000000\n0.000000 9.430302 0.000000\n0.000000 3.936861 11.336786\nBr O\n16 24\ndirect\n0.496697 0.307622 0.951502 Br\n0.996697 0.192378 0.048498 Br\n0.503303 0.692378 0.048498 Br\n0.003303 0.807622 0.951502 Br\n0.785998 0.466321 0.780507 Br\n0.285998 0.033679 0.219493 Br\n0.214002 0.533679 0.219493 Br\n0.714002 0.966321 0.780507 Br\n0.803221 0.260129 0.218942 Br\n0.303221 0.239871 0.781058 Br\n0.196779 0.739871 0.781058 Br\n0.696779 0.760129 0.218942 Br\n0.787025 0.302039 0.469617 Br\n0.287025 0.197961 0.530383 Br\n0.212975 0.697961 0.530383 Br\n0.712975 0.802039 0.469617 Br\n0.904713 0.429988 0.898579 O\n0.404713 0.070012 0.101421 O\n0.095287 0.570012 0.101421 O\n0.595287 0.929988 0.898579 O\n0.770183 0.315085 0.742159 O\n0.270183 0.184915 0.257841 O\n0.229817 0.684915 0.257841 O\n0.729817 0.815085 0.742159 O\n0.573623 0.484868 0.844563 O\n0.073623 0.015132 0.155437 O\n0.426377 0.515132 0.155437 O\n0.926377 0.984868 0.844563 O\n0.837309 0.125810 0.541598 O\n0.337309 0.374190 0.458402 O\n0.162691 0.874190 0.458402 O\n0.662691 0.625810 0.541598 O\n0.831157 0.792992 0.337200 O\n0.331157 0.707008 0.662800 O\n0.168843 0.207008 0.662800 O\n0.668843 0.292992 0.337200 O\n0.545570 0.891639 0.411836 O\n0.045570 0.608361 0.588164 O\n0.454430 0.108361 0.588164 O\n0.954430 0.391639 0.411836 O\n",
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"elements": [
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"density": 3.132782510631676,
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"volume": 881.1854949027149,
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"formula_full": "Br16 O24",
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"spacegroup": 14
},
{
"id": "mp-700033",
"created_at": "2022-09-04T14:40:26.986185Z",
"structure_string": "Na24 U20 V8 O92\n1.0\n24.571907 0.000000 0.000000\n0.000000 7.108542 0.000000\n0.000000 2.348574 12.581994\nNa U V O\n24 20 8 92\ndirect\n0.538424 0.271663 0.977562 Na\n0.465928 0.737846 0.524489 Na\n0.794473 0.769924 0.885984 Na\n0.309418 0.750792 0.623035 Na\n0.622452 0.785072 0.923308 Na\n0.190582 0.250792 0.623035 Na\n0.205527 0.230076 0.114016 Na\n0.705527 0.269924 0.885984 Na\n0.377548 0.214928 0.076692 Na\n0.038424 0.228337 0.022438 Na\n0.034072 0.237846 0.524489 Na\n0.965928 0.762154 0.475511 Na\n0.294473 0.730076 0.114016 Na\n0.899959 0.258104 0.426093 Na\n0.877548 0.285072 0.923308 Na\n0.399959 0.241896 0.573907 Na\n0.809418 0.749208 0.376965 Na\n0.100041 0.741896 0.573907 Na\n0.461576 0.728337 0.022438 Na\n0.534072 0.262154 0.475511 Na\n0.690582 0.249208 0.376965 Na\n0.122452 0.714928 0.076692 Na\n0.600041 0.758104 0.426093 Na\n0.961576 0.771663 0.977562 Na\n0.926564 0.022716 0.186856 U\n0.852526 0.527339 0.653603 U\n0.412189 0.487711 0.291903 U\n0.426564 0.477284 0.813144 U\n0.859643 0.537711 0.165765 U\n0.352526 0.972661 0.346397 U\n0.573436 0.522716 0.186856 U\n0.147474 0.472661 0.346397 U\n0.073436 0.977284 0.813144 U\n0.007277 0.489438 0.237238 U\n0.507277 0.010562 0.762762 U\n0.492723 0.989438 0.237238 U\n0.640357 0.037711 0.165765 U\n0.647474 0.027339 0.653603 U\n0.992723 0.510562 0.762762 U\n0.087811 0.987711 0.291903 U\n0.140357 0.462289 0.834235 U\n0.359643 0.962289 0.834235 U\n0.912189 0.012289 0.708097 U\n0.587811 0.512289 0.708097 U\n0.294905 0.451806 0.891211 V\n0.794905 0.048194 0.108789 V\n0.200654 0.950403 0.439009 V\n0.705095 0.548194 0.108789 V\n0.700654 0.549597 0.560991 V\n0.799346 0.049597 0.560991 V\n0.205095 0.951806 0.891211 V\n0.299346 0.450403 0.439009 V\n0.063414 0.929957 0.961167 O\n0.579190 0.194821 0.710138 O\n0.384286 0.912929 0.480575 O\n0.532062 0.974976 0.903258 O\n0.984185 0.450682 0.380421 O\n0.512996 0.438295 0.795254 O\n0.270924 0.924024 0.431541 O\n0.649578 0.988839 0.312364 O\n0.420810 0.805179 0.289862 O\n0.567964 0.836448 0.198183 O\n0.180731 0.529078 0.212664 O\n0.770924 0.575976 0.568459 O\n0.350422 0.011161 0.687636 O\n0.717979 0.552715 0.978898 O\n0.172118 0.148631 0.353185 O\n0.936586 0.070043 0.038833 O\n0.558445 0.209380 0.182749 O\n0.327882 0.648631 0.353185 O\n0.015815 0.549318 0.619579 O\n0.161098 0.142497 0.828959 O\n0.229076 0.424024 0.431541 O\n0.051870 0.941443 0.425179 O\n0.920810 0.694821 0.710138 O\n0.941555 0.709380 0.182749 O\n0.660378 0.726409 0.606875 O\n0.185727 0.955076 0.566183 O\n0.338539 0.262227 0.875631 O\n0.161461 0.762227 0.875631 O\n0.734333 0.052541 0.176088 O\n0.338902 0.642497 0.828959 O\n0.575990 0.820890 0.726360 O\n0.032062 0.525024 0.096742 O\n0.149578 0.511161 0.687636 O\n0.160378 0.773591 0.393125 O\n0.075990 0.679110 0.273640 O\n0.432036 0.163552 0.801817 O\n0.615714 0.087071 0.519425 O\n0.115714 0.412929 0.480575 O\n0.839622 0.226409 0.606875 O\n0.067964 0.663552 0.801817 O\n0.865897 0.605226 0.018584 O\n0.079190 0.305179 0.289862 O\n0.416452 0.531455 0.665787 O\n0.265667 0.947459 0.823912 O\n0.838902 0.857503 0.171041 O\n0.467938 0.025024 0.096742 O\n0.782021 0.052715 0.978898 O\n0.765667 0.552541 0.176088 O\n0.448130 0.441443 0.425179 O\n0.365897 0.894774 0.981416 O\n0.685727 0.544924 0.433817 O\n0.126532 0.025005 0.164667 O\n0.583548 0.468545 0.334213 O\n0.987004 0.938295 0.795254 O\n0.661098 0.357503 0.171041 O\n0.058445 0.290620 0.817251 O\n0.515815 0.950682 0.380421 O\n0.819269 0.470922 0.787336 O\n0.563414 0.570043 0.038833 O\n0.873468 0.974995 0.835333 O\n0.436586 0.429957 0.961167 O\n0.441555 0.790620 0.817251 O\n0.012996 0.061705 0.204746 O\n0.661461 0.737773 0.124369 O\n0.838539 0.237773 0.124369 O\n0.626532 0.474995 0.835333 O\n0.814273 0.044924 0.433817 O\n0.373468 0.525005 0.164667 O\n0.484185 0.049318 0.619579 O\n0.282021 0.447285 0.021102 O\n0.967938 0.474976 0.903258 O\n0.339622 0.273591 0.393125 O\n0.672118 0.351369 0.646815 O\n0.234333 0.447459 0.823912 O\n0.948130 0.058557 0.574821 O\n0.083548 0.031455 0.665787 O\n0.916452 0.968545 0.334213 O\n0.634103 0.105226 0.018584 O\n0.884286 0.587071 0.519425 O\n0.827882 0.851369 0.646815 O\n0.424010 0.179110 0.273640 O\n0.932036 0.336448 0.198183 O\n0.924010 0.320890 0.726360 O\n0.680731 0.970922 0.787336 O\n0.850422 0.488839 0.312364 O\n0.487004 0.561705 0.204746 O\n0.319269 0.029078 0.212664 O\n0.217979 0.947285 0.021102 O\n0.134103 0.394774 0.981416 O\n0.729076 0.075976 0.568459 O\n0.314273 0.455076 0.566183 O\n0.551870 0.558557 0.574821 O\n",
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{
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