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{
"id": "mp-1280674",
"created_at": "2022-09-04T14:46:52.567450Z",
"structure_string": "Na1 Mn2 Mo2 H3 O10\n1.0\n4.317489 3.325310 -2.117028\n4.317418 -3.325065 -2.116787\n0.025561 0.000282 -7.812815\nNa Mn Mo H O\n1 2 2 3 10\ndirect\n0.502838 0.497210 0.499994 Na\n0.503530 0.994360 0.000172 Mn\n0.006145 0.494857 0.000276 Mn\n0.090075 0.082682 0.704726 Mo\n0.917166 0.909883 0.295299 Mo\n0.507927 0.494324 0.999203 H\n0.681416 0.669210 0.779859 H\n0.330718 0.318520 0.219990 H\n0.760148 0.754322 0.526532 O\n0.245837 0.239861 0.473710 O\n0.830927 0.822552 0.126552 O\n0.177423 0.168976 0.873513 O\n0.647996 0.635432 0.919677 O\n0.364227 0.351712 0.080293 O\n0.818373 0.248418 0.263263 O\n0.751597 0.181502 0.736831 O\n0.255625 0.809967 0.263600 O\n0.190033 0.744211 0.736511 O\n",
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{
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"structure_string": "Na4 Ni2 H24 S4 O28\n1.0\n11.998646 0.000000 0.000000\n0.000000 6.011579 0.000000\n0.000000 2.145969 8.618832\nNa Ni H S O\n4 2 24 4 28\ndirect\n0.355022 0.839655 0.865121 Na\n0.144978 0.839655 0.365121 Na\n0.855022 0.160345 0.634879 Na\n0.644978 0.160345 0.134879 Na\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.126090 0.593760 0.747035 H\n0.626090 0.406240 0.752965 H\n0.689535 0.488195 0.360033 H\n0.413458 0.825579 0.285235 H\n0.055992 0.156785 0.902828 H\n0.598865 0.565217 0.228356 H\n0.555992 0.843215 0.597172 H\n0.098865 0.434783 0.271644 H\n0.401135 0.434783 0.771644 H\n0.810465 0.488195 0.860033 H\n0.310465 0.511805 0.639967 H\n0.444008 0.156785 0.402828 H\n0.189535 0.511805 0.139967 H\n0.646710 0.835108 0.468123 H\n0.086542 0.825579 0.785235 H\n0.913458 0.174421 0.214765 H\n0.146710 0.164892 0.031877 H\n0.373910 0.593760 0.247035 H\n0.353290 0.164892 0.531877 H\n0.944008 0.843215 0.097172 H\n0.586542 0.174421 0.714765 H\n0.853290 0.835108 0.968123 H\n0.873910 0.406240 0.252965 H\n0.901135 0.565217 0.728356 H\n0.867938 0.771480 0.413766 S\n0.132062 0.228520 0.586234 S\n0.632062 0.771480 0.913766 S\n0.367938 0.228520 0.086234 S\n0.270856 0.070493 0.095631 O\n0.385674 0.550978 0.672468 O\n0.072947 0.250573 0.436545 O\n0.671067 0.540549 0.898848 O\n0.171067 0.459451 0.601152 O\n0.433382 0.193093 0.504592 O\n0.614326 0.449022 0.327532 O\n0.883890 0.329204 0.167038 O\n0.447409 0.127182 0.214648 O\n0.828933 0.540549 0.398848 O\n0.566618 0.806907 0.495408 O\n0.229144 0.070493 0.595631 O\n0.052591 0.127182 0.714648 O\n0.885674 0.449022 0.827532 O\n0.552591 0.872818 0.785352 O\n0.572947 0.749427 0.063455 O\n0.116110 0.670796 0.832962 O\n0.616110 0.329204 0.667038 O\n0.066618 0.193093 0.004592 O\n0.383890 0.670796 0.332962 O\n0.729144 0.929507 0.904369 O\n0.947409 0.872818 0.285352 O\n0.933382 0.806907 0.995408 O\n0.427053 0.250573 0.936545 O\n0.328933 0.459451 0.101152 O\n0.770856 0.929507 0.404369 O\n0.927053 0.749427 0.563455 O\n0.114326 0.550978 0.172468 O\n",
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"formula_full": "Na4 Ni2 H24 S4 O28",
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"updated_at": "2021-11-28T01:37:44.832000Z",
"spacegroup": 14
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{
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"created_at": "2022-09-04T14:46:52.571054Z",
"structure_string": "Nd1 Sm1 Fe17 N3\n1.0\n4.873092 -4.358172 0.000000\n4.873092 4.358172 0.000000\n0.975431 0.000000 6.464458\nNd Sm Fe N\n1 1 17 3\ndirect\n0.656576 0.656576 0.656576 Nd\n0.342495 0.342495 0.342495 Sm\n0.341621 0.341621 0.858482 Fe\n0.858482 0.341621 0.341621 Fe\n0.341621 0.858482 0.341621 Fe\n0.657788 0.657788 0.142849 Fe\n0.142849 0.657788 0.657788 Fe\n0.657788 0.142849 0.657788 Fe\n0.717405 0.282236 0.000461 Fe\n0.000461 0.717405 0.282236 Fe\n0.282236 0.000461 0.717405 Fe\n0.000461 0.282236 0.717405 Fe\n0.717405 0.000461 0.282236 Fe\n0.282236 0.717405 0.000461 Fe\n0.999747 0.999747 0.500009 Fe\n0.500009 0.999747 0.999747 Fe\n0.999747 0.500009 0.999747 Fe\n0.906044 0.906044 0.906044 Fe\n0.094455 0.094455 0.094455 Fe\n0.498651 0.498651 0.003270 N\n0.003270 0.498651 0.498651 N\n0.498651 0.003270 0.498651 N\n",
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{
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"structure_string": "Ho4 Co4 Sn4\n1.0\n4.579290 0.000000 0.000000\n0.000000 7.238865 0.000000\n0.000000 0.000000 7.303407\nHo Co Sn\n4 4 4\ndirect\n0.250000 0.476683 0.700480 Ho\n0.250000 0.976683 0.799520 Ho\n0.750000 0.023317 0.200480 Ho\n0.750000 0.523317 0.299520 Ho\n0.750000 0.841952 0.558739 Co\n0.250000 0.158048 0.441261 Co\n0.750000 0.341952 0.941261 Co\n0.250000 0.658048 0.058739 Co\n0.750000 0.702104 0.891824 Sn\n0.250000 0.797896 0.391824 Sn\n0.250000 0.297896 0.108176 Sn\n0.750000 0.202104 0.608176 Sn\n",
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{
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"created_at": "2022-09-04T14:46:52.578292Z",
"structure_string": "La4 Pr1 Co10 P10\n1.0\n3.802667 0.000000 0.000000\n0.000000 3.802667 0.000000\n-1.901334 -1.901334 27.656457\nLa Pr Co P\n4 1 10 10\ndirect\n0.600079 0.600079 0.200157 La\n0.199879 0.199879 0.399758 La\n0.800121 0.800121 0.600242 La\n0.399921 0.399921 0.799843 La\n0.000000 0.000000 0.000000 Pr\n0.049487 0.549487 0.098974 Co\n0.649993 0.149993 0.299987 Co\n0.250000 0.750000 0.500000 Co\n0.850007 0.350007 0.700013 Co\n0.450513 0.950513 0.901026 Co\n0.549487 0.049487 0.098974 Co\n0.149993 0.649993 0.299987 Co\n0.750000 0.250000 0.500000 Co\n0.350007 0.850007 0.700013 Co\n0.950513 0.450513 0.901026 Co\n0.528495 0.528495 0.056990 P\n0.129282 0.129282 0.258565 P\n0.729359 0.729359 0.458719 P\n0.329261 0.329261 0.658521 P\n0.929718 0.929718 0.859435 P\n0.070282 0.070282 0.140565 P\n0.670739 0.670739 0.341479 P\n0.270641 0.270641 0.541281 P\n0.870718 0.870718 0.741435 P\n0.471505 0.471505 0.943010 P\n",
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{
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{
"id": "mp-1096876",
"created_at": "2022-09-04T14:46:52.594268Z",
"structure_string": "Cd2 O4\n1.0\n5.952317 2.714670 0.000000\n-5.952317 2.714670 0.000000\n0.000000 2.443150 2.714908\nCd O\n2 4\ndirect\n0.116613 0.823199 0.061010 Cd\n0.823199 0.116613 0.061010 Cd\n0.046598 0.046598 0.369706 O\n0.668326 0.668326 0.175257 O\n0.222576 0.699690 0.576509 O\n0.699690 0.222576 0.576509 O\n",
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{
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{
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"structure_string": "Tm12 Mn12 Sn24\n1.0\n8.980172 0.000000 0.000000\n0.000000 10.321797 0.000000\n0.000000 0.000000 11.318931\nTm Mn Sn\n12 12 24\ndirect\n0.242877 0.830689 0.454104 Tm\n0.242877 0.169311 0.545896 Tm\n0.757123 0.330689 0.045896 Tm\n0.757123 0.669311 0.954104 Tm\n0.757123 0.169311 0.545896 Tm\n0.757123 0.830689 0.454104 Tm\n0.242877 0.669311 0.954104 Tm\n0.242877 0.330689 0.045896 Tm\n0.000000 0.835777 0.180171 Tm\n0.000000 0.164223 0.819829 Tm\n0.000000 0.335777 0.319829 Tm\n0.000000 0.664223 0.680171 Tm\n0.247259 0.587716 0.257079 Mn\n0.247259 0.412284 0.742921 Mn\n0.752741 0.087716 0.242921 Mn\n0.752741 0.912284 0.757079 Mn\n0.752741 0.412284 0.742921 Mn\n0.752741 0.587716 0.257079 Mn\n0.247259 0.912284 0.757079 Mn\n0.247259 0.087716 0.242921 Mn\n0.243747 0.500000 0.500000 Mn\n0.756253 0.000000 0.000000 Mn\n0.756253 0.500000 0.500000 Mn\n0.243747 0.000000 0.000000 Mn\n0.336641 0.836831 0.182193 Sn\n0.336641 0.163169 0.817807 Sn\n0.663359 0.336831 0.317807 Sn\n0.663359 0.663169 0.682193 Sn\n0.663359 0.163169 0.817807 Sn\n0.663359 0.836831 0.182193 Sn\n0.336641 0.663169 0.682193 Sn\n0.336641 0.336831 0.317807 Sn\n0.500000 0.544838 0.126199 Sn\n0.500000 0.455162 0.873801 Sn\n0.500000 0.044838 0.373801 Sn\n0.500000 0.955162 0.626199 Sn\n0.000000 0.541396 0.123643 Sn\n0.000000 0.458604 0.876357 Sn\n0.000000 0.041396 0.376357 Sn\n0.000000 0.958604 0.623643 Sn\n0.500000 0.627673 0.407649 Sn\n0.500000 0.372327 0.592351 Sn\n0.500000 0.127673 0.092351 Sn\n0.500000 0.872327 0.907649 Sn\n0.000000 0.631376 0.401143 Sn\n0.000000 0.368624 0.598857 Sn\n0.000000 0.131376 0.098857 Sn\n0.000000 0.868624 0.901143 Sn\n",
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"updated_at": "2021-11-28T01:37:40.850000Z",
"spacegroup": 55
},
{
"id": "mp-1096293",
"created_at": "2022-09-04T14:46:52.707696Z",
"structure_string": "Ti2 Ga1 Cu1\n1.0\n-5.151090 5.304148 7.414726\n5.151090 -5.304148 7.414726\n5.151090 5.304148 -7.414726\nTi Ga Cu\n2 1 1\ndirect\n0.000000 0.242826 0.242826 Ti\n0.000000 0.757174 0.757174 Ti\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
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],
"chemical_system": "Cu-Ga-Ti",
"density": 0.4692674157654253,
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"volume": 810.3448377048326,
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"formula_full": "Ti2 Ga1 Cu1",
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"updated_at": "2021-11-28T01:37:39.241000Z",
"spacegroup": 71
},
{
"id": "mp-684606",
"created_at": "2022-09-04T14:46:39.920501Z",
"structure_string": "Cu27 Se20\n1.0\n3.483285 0.000000 2.011076\n1.161095 3.284073 2.011076\n0.349469 0.247112 79.837720\nCu Se\n27 20\ndirect\n0.246033 0.246033 0.063095 Cu\n0.754599 0.754599 0.036810 Cu\n0.244569 0.244569 0.163315 Cu\n0.744557 0.744557 0.088316 Cu\n0.755151 0.755151 0.136727 Cu\n0.744246 0.744246 0.188363 Cu\n0.741866 0.741866 0.238720 Cu\n0.749880 0.749880 0.287518 Cu\n0.749572 0.749572 0.337564 Cu\n0.749430 0.749430 0.387585 Cu\n0.749533 0.749533 0.437570 Cu\n0.749589 0.749589 0.487562 Cu\n0.749316 0.749316 0.537603 Cu\n0.246036 0.246036 0.663095 Cu\n0.749777 0.749777 0.587533 Cu\n0.763088 0.763088 0.635537 Cu\n0.744134 0.744134 0.688380 Cu\n0.245535 0.245535 0.763170 Cu\n0.754652 0.754652 0.736802 Cu\n0.743814 0.743814 0.788428 Cu\n0.253941 0.253941 0.861909 Cu\n0.754320 0.754320 0.836852 Cu\n0.249985 0.249985 0.912502 Cu\n0.243685 0.243685 0.963447 Cu\n0.758113 0.758113 0.886283 Cu\n0.749357 0.749357 0.937597 Cu\n0.735213 0.735213 0.989718 Cu\n0.997674 0.997674 0.000349 Se\n0.007979 0.007979 0.048803 Se\n0.997426 0.997426 0.100386 Se\n0.007410 0.007410 0.148888 Se\n0.994297 0.994297 0.200855 Se\n0.000830 0.000830 0.249875 Se\n0.999901 0.999901 0.300015 Se\n0.000316 0.000316 0.349953 Se\n0.000506 0.000506 0.399924 Se\n0.000176 0.000176 0.449974 Se\n0.000450 0.000450 0.499932 Se\n0.000903 0.000903 0.549865 Se\n0.005147 0.005147 0.599228 Se\n0.006587 0.006587 0.649012 Se\n0.997410 0.997410 0.700388 Se\n0.007775 0.007775 0.748834 Se\n0.997027 0.997027 0.800446 Se\n0.009068 0.009068 0.848640 Se\n0.000200 0.000200 0.899970 Se\n0.998925 0.998925 0.950161 Se\n",
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"elements": [
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],
"chemical_system": "Cu-Se",
"density": 6.013625619575909,
"density_atomic": 0.05165797451556177,
"volume": 909.8304848526616,
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"formula_full": "Cu27 Se20",
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"updated_at": "2021-11-28T01:37:43.251000Z",
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}
]
}