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{
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{
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{
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"structure_string": "Co5 Sb1 O12\n1.0\n2.499117 4.341075 -0.003107\n-2.510630 4.335243 -0.001553\n-0.002618 -0.004547 9.618886\nCo Sb O\n5 1 12\ndirect\n0.166650 0.666700 0.500000 Co\n0.666655 0.666689 0.000000 Co\n0.333345 0.333311 0.000000 Co\n0.833350 0.333300 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Sb\n0.000273 0.650060 0.101740 O\n0.349668 0.650060 0.898260 O\n0.166680 0.332798 0.405413 O\n0.499478 0.667202 0.405413 O\n0.500522 0.332798 0.594587 O\n0.166089 0.000000 0.595102 O\n0.833320 0.667202 0.594587 O\n0.650332 0.349940 0.101740 O\n0.350264 0.000000 0.101845 O\n0.999727 0.349940 0.898260 O\n0.649736 0.000000 0.898155 O\n0.833911 0.000000 0.404898 O\n",
"nsites": 18,
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"elements": [
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"density": 4.832870341571991,
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"formula_full": "Co5 Sb1 O12",
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"spacegroup": 12
},
{
"id": "mp-1031817",
"created_at": "2022-09-04T14:42:26.949571Z",
"structure_string": "Mg6 Mn1 V1 O8\n1.0\n8.654730 0.000000 0.000000\n0.000000 4.319541 0.000000\n0.000000 0.000000 4.319541\nMg Mn V O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250956 0.000000 0.500000 Mg\n0.749044 0.000000 0.500000 Mg\n0.250956 0.500000 0.000000 Mg\n0.749044 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 V\n0.251728 0.000000 0.000000 O\n0.748272 0.000000 0.000000 O\n0.249845 0.500000 0.500000 O\n0.750155 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"volume": 161.4837123933424,
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"formula_full": "Mg6 Mn1 V1 O8",
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},
{
"id": "mp-4531",
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"structure_string": "Na2 N2 O6\n1.0\n6.019952 -2.563982 0.000000\n6.019952 2.563982 0.000000\n4.927916 0.000000 4.304587\nNa N O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.002963 0.497037 0.250000 O\n0.250000 0.002963 0.497037 O\n0.497037 0.250000 0.002963 O\n0.750000 0.997037 0.502963 O\n0.502963 0.750000 0.997037 O\n0.997037 0.502963 0.750000 O\n",
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],
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"density_atomic": 0.07525416029988512,
"volume": 132.88301882780115,
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"formula_full": "Na2 N2 O6",
"formula_reduced": "NaNO3",
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"spacegroup": 167
},
{
"id": "mp-5410",
"created_at": "2022-09-04T14:42:26.954217Z",
"structure_string": "Sm1 Co3 B2\n1.0\n2.529452 -4.381139 0.000000\n2.529452 4.381139 0.000000\n0.000000 0.000000 3.025328\nSm Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n",
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],
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"density": 8.637473087045112,
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"formula_full": "Sm1 Co3 B2",
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"spacegroup": 191
},
{
"id": "mp-1094222",
"created_at": "2022-09-04T14:42:26.958297Z",
"structure_string": "Hf4 Mg2\n1.0\n5.678632 0.000000 0.000000\n0.000000 5.678632 0.000000\n0.000000 0.000000 4.968582\nHf Mg\n4 2\ndirect\n0.329936 0.329936 0.000000 Hf\n0.670064 0.670064 0.000000 Hf\n0.170064 0.829936 0.500000 Hf\n0.829936 0.170064 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
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{
"id": "mp-1200340",
"created_at": "2022-09-04T14:42:26.962385Z",
"structure_string": "Mo4 H80 C28 N4 Cl4 O24\n1.0\n8.493418 0.000000 0.000000\n0.000000 12.190014 0.000000\n0.000000 0.000000 14.929551\nMo H C N Cl O\n4 80 28 4 4 24\ndirect\n0.751034 0.060076 0.023427 Mo\n0.748966 0.939924 0.523427 Mo\n0.251034 0.439924 0.976573 Mo\n0.248966 0.560076 0.476573 Mo\n0.659502 0.299622 0.986880 H\n0.840498 0.700378 0.486880 H\n0.159502 0.200378 0.013120 H\n0.340498 0.799622 0.513120 H\n0.848347 0.297551 0.985889 H\n0.651653 0.702449 0.485889 H\n0.348347 0.202449 0.014111 H\n0.151653 0.797551 0.514111 H\n0.617949 0.519844 0.807314 H\n0.882051 0.480156 0.307314 H\n0.117949 0.980156 0.192686 H\n0.382051 0.019844 0.692686 H\n0.817826 0.477280 0.803859 H\n0.682174 0.522720 0.303859 H\n0.317826 0.022720 0.196141 H\n0.182174 0.977280 0.696141 H\n0.689750 0.457399 0.655849 H\n0.810250 0.542601 0.155849 H\n0.189750 0.042601 0.344151 H\n0.310250 0.957399 0.844151 H\n0.843070 0.554632 0.646268 H\n0.656930 0.445368 0.146268 H\n0.343070 0.945368 0.353732 H\n0.156930 0.054632 0.853732 H\n0.642051 0.597738 0.650653 H\n0.857949 0.402262 0.150653 H\n0.142051 0.902262 0.349347 H\n0.357949 0.097738 0.849347 H\n0.021424 0.594342 0.810151 H\n0.478576 0.405658 0.310151 H\n0.521424 0.905658 0.189849 H\n0.978576 0.094342 0.689849 H\n0.953705 0.678356 0.720554 H\n0.546295 0.321644 0.220554 H\n0.453705 0.821644 0.279446 H\n0.046295 0.178356 0.779446 H\n0.150292 0.773789 0.809866 H\n0.349708 0.226211 0.309866 H\n0.650292 0.726211 0.190134 H\n0.849708 0.273789 0.690134 H\n0.039180 0.761804 0.909222 H\n0.460820 0.238196 0.409222 H\n0.539180 0.738196 0.090778 H\n0.960820 0.261804 0.590778 H\n0.969659 0.845825 0.819038 H\n0.530341 0.154175 0.319038 H\n0.469659 0.654175 0.180962 H\n0.030341 0.345825 0.680962 H\n0.729578 0.814464 0.825470 H\n0.770422 0.185536 0.325470 H\n0.229578 0.685536 0.174530 H\n0.270422 0.314464 0.674530 H\n0.702538 0.751344 0.719710 H\n0.797462 0.248656 0.219710 H\n0.202538 0.748656 0.280290 H\n0.297462 0.251344 0.780290 H\n0.451084 0.802075 0.786732 H\n0.048916 0.197925 0.286732 H\n0.951084 0.697925 0.213268 H\n0.548916 0.302075 0.713268 H\n0.485122 0.722895 0.884457 H\n0.014878 0.277105 0.384457 H\n0.985122 0.777105 0.115543 H\n0.514878 0.222895 0.615543 H\n0.455404 0.657604 0.778731 H\n0.044596 0.342396 0.278731 H\n0.955404 0.842396 0.221269 H\n0.544596 0.157604 0.721269 H\n0.863086 0.568975 0.940787 H\n0.636914 0.431025 0.440787 H\n0.363086 0.931025 0.059213 H\n0.136914 0.068975 0.559213 H\n0.658907 0.604327 0.938721 H\n0.841093 0.395673 0.438721 H\n0.158907 0.895673 0.061279 H\n0.341093 0.104327 0.561279 H\n0.803015 0.710170 0.953445 H\n0.696985 0.289830 0.453445 H\n0.303015 0.789830 0.046555 H\n0.196985 0.210170 0.546555 H\n0.733929 0.538622 0.778757 C\n0.766071 0.461378 0.278757 C\n0.233929 0.961378 0.221243 C\n0.266071 0.038622 0.721243 C\n0.728131 0.539234 0.677233 C\n0.771869 0.460766 0.177233 C\n0.228131 0.960766 0.322767 C\n0.271869 0.039234 0.822767 C\n0.955455 0.669081 0.793470 C\n0.544545 0.330919 0.293470 C\n0.455455 0.830919 0.206530 C\n0.044545 0.169081 0.706530 C\n0.029967 0.769148 0.836267 C\n0.470033 0.230852 0.336267 C\n0.529967 0.730852 0.163733 C\n0.970033 0.269148 0.663733 C\n0.682846 0.741480 0.791829 C\n0.817154 0.258520 0.291829 C\n0.182846 0.758520 0.208171 C\n0.317154 0.241480 0.708171 C\n0.509283 0.728172 0.812431 C\n0.990717 0.271828 0.312431 C\n0.009283 0.771828 0.187569 C\n0.490717 0.228172 0.687569 C\n0.777441 0.631738 0.920943 C\n0.722559 0.368262 0.420943 C\n0.277441 0.868262 0.079057 C\n0.222559 0.131738 0.579057 C\n0.786048 0.646336 0.821388 N\n0.713952 0.353664 0.321388 N\n0.286048 0.853664 0.178612 N\n0.213952 0.146336 0.678612 N\n0.745461 0.054476 0.861399 Cl\n0.754539 0.945524 0.361399 Cl\n0.245461 0.445524 0.138601 Cl\n0.254539 0.554476 0.638601 Cl\n0.521159 0.097076 0.023197 O\n0.978841 0.902924 0.523197 O\n0.021159 0.402924 0.976803 O\n0.478841 0.597076 0.476803 O\n0.591001 0.101479 0.113376 O\n0.908999 0.898521 0.613376 O\n0.091001 0.398521 0.886624 O\n0.408999 0.601479 0.386624 O\n0.918166 0.099069 0.109309 O\n0.581834 0.900931 0.609309 O\n0.418166 0.400931 0.890691 O\n0.081834 0.599069 0.390691 O\n0.981233 0.093841 0.017627 O\n0.518767 0.906159 0.517627 O\n0.481233 0.406159 0.982373 O\n0.018767 0.593841 0.482373 O\n0.748772 0.919409 0.033411 O\n0.751228 0.080591 0.533411 O\n0.248772 0.580591 0.966589 O\n0.251228 0.419409 0.466589 O\n0.753347 0.255220 0.000139 O\n0.746653 0.744780 0.500139 O\n0.253347 0.244780 0.999861 O\n0.246653 0.755220 0.499861 O\n",
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{
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"structure_string": "K4 Ho2 P2 C2 O14\n1.0\n7.133593 0.000000 0.000000\n0.000000 5.805114 0.000000\n0.000000 0.391099 9.909560\nK Ho P C O\n4 2 2 2 14\ndirect\n0.011863 0.245469 0.775051 K\n0.488137 0.245469 0.775051 K\n0.511863 0.754531 0.224949 K\n0.988137 0.754531 0.224949 K\n0.750000 0.777380 0.634571 Ho\n0.250000 0.222620 0.365429 Ho\n0.250000 0.711394 0.570634 P\n0.750000 0.288606 0.429366 P\n0.750000 0.729590 0.910798 C\n0.250000 0.270410 0.089202 C\n0.250000 0.301141 0.963518 O\n0.750000 0.935029 0.848332 O\n0.750000 0.554709 0.827489 O\n0.069562 0.769085 0.649729 O\n0.430438 0.769085 0.649729 O\n0.750000 0.147440 0.567564 O\n0.250000 0.447745 0.541572 O\n0.750000 0.552255 0.458428 O\n0.250000 0.852560 0.432436 O\n0.569562 0.230915 0.350271 O\n0.930438 0.230915 0.350271 O\n0.250000 0.445291 0.172511 O\n0.250000 0.064971 0.151668 O\n0.750000 0.698859 0.036482 O\n",
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