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{
"id": "mp-1043361",
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"structure_string": "Mg2 Ni8 O12\n1.0\n1.462641 -4.867501 0.000000\n1.462641 4.867501 0.000000\n0.000000 0.000000 14.778060\nMg Ni O\n2 8 12\ndirect\n0.343400 0.656600 0.750000 Mg\n0.656600 0.343400 0.250000 Mg\n0.136662 0.863338 0.044365 Ni\n0.594195 0.405805 0.635705 Ni\n0.863338 0.136662 0.955635 Ni\n0.405805 0.594195 0.364295 Ni\n0.136662 0.863338 0.455635 Ni\n0.863338 0.136662 0.544365 Ni\n0.405805 0.594195 0.135705 Ni\n0.594195 0.405805 0.864295 Ni\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.952474 0.047526 0.838576 O\n0.047526 0.952474 0.161424 O\n0.047526 0.952474 0.338576 O\n0.952474 0.047526 0.661424 O\n0.222918 0.777082 0.922540 O\n0.777082 0.222918 0.077460 O\n0.777082 0.222918 0.422540 O\n0.222918 0.777082 0.577460 O\n0.695308 0.304692 0.750000 O\n0.304692 0.695308 0.250000 O\n",
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{
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"formula_full": "Mg4 Ni8 O16",
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{
"id": "mp-1221953",
"created_at": "2022-09-04T14:48:25.078214Z",
"structure_string": "Mg2 Ni2 O4\n1.0\n-2.123625 -2.123625 0.000000\n-2.123625 0.000000 -2.123625\n4.185530 -6.309154 -6.309154\nMg Ni O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n0.625360 0.625360 0.123921 O\n0.125360 0.125360 0.623921 O\n0.874640 0.874640 0.376079 O\n0.374640 0.374640 0.876079 O\n",
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"formula_full": "Mg2 Ni2 O4",
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"updated_at": "2021-11-28T01:39:40Z",
"spacegroup": 166
},
{
"id": "mp-1042090",
"created_at": "2022-09-04T14:48:24.702868Z",
"structure_string": "Mg4 Ni8 O16\n1.0\n2.927728 0.000000 0.000000\n0.000000 9.288627 0.000000\n0.000000 0.000000 9.529088\nMg Ni O\n4 8 16\ndirect\n0.804141 0.250000 0.852927 Mg\n0.804141 0.750000 0.647073 Mg\n0.195859 0.250000 0.352927 Mg\n0.195859 0.750000 0.147073 Mg\n0.275593 0.070236 0.613401 Ni\n0.275593 0.570236 0.886599 Ni\n0.724407 0.570236 0.386599 Ni\n0.275593 0.929764 0.886599 Ni\n0.724407 0.929764 0.386599 Ni\n0.275593 0.429764 0.613401 Ni\n0.724407 0.429764 0.113401 Ni\n0.724407 0.070236 0.113401 Ni\n0.723437 0.386703 0.472613 O\n0.276563 0.613297 0.527387 O\n0.848798 0.500000 0.750000 O\n0.276563 0.386703 0.972613 O\n0.276563 0.113297 0.972613 O\n0.303454 0.750000 0.795118 O\n0.723437 0.613297 0.027387 O\n0.696546 0.750000 0.295118 O\n0.848798 0.000000 0.750000 O\n0.151202 0.500000 0.250000 O\n0.723437 0.113297 0.472613 O\n0.696546 0.250000 0.204882 O\n0.303454 0.250000 0.704882 O\n0.151202 0.000000 0.250000 O\n0.723437 0.886703 0.027387 O\n0.276563 0.886703 0.527387 O\n",
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"updated_at": "2021-11-28T01:39:39.103000Z",
"spacegroup": 57
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{
"id": "mp-1394225",
"created_at": "2022-09-04T14:47:56.227841Z",
"structure_string": "Mg2 Ni4 O10\n1.0\n3.131215 0.000000 0.000000\n0.000000 5.294911 0.000000\n0.000000 0.000000 10.940831\nMg Ni O\n2 4 10\ndirect\n0.500000 0.122548 0.000000 Mg\n0.000000 0.877452 0.500000 Mg\n0.000000 0.545556 0.854349 Ni\n0.500000 0.454444 0.645651 Ni\n0.500000 0.454444 0.354349 Ni\n0.000000 0.545556 0.145651 Ni\n0.500000 0.623433 0.500000 O\n0.000000 0.376567 0.000000 O\n0.500000 0.340827 0.806816 O\n0.000000 0.659173 0.693184 O\n0.500000 0.340827 0.193184 O\n0.000000 0.659173 0.306816 O\n0.000000 0.877657 0.068937 O\n0.500000 0.122343 0.431063 O\n0.500000 0.122343 0.568937 O\n0.000000 0.877657 0.931063 O\n",
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"elements": [
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"density": 4.058831129882575,
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"formula_full": "Mg2 Ni4 O10",
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"spacegroup": 59
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{
"id": "mp-1048259",
"created_at": "2022-09-04T14:48:27.975059Z",
"structure_string": "Mg4 Ni4 P8 O28\n1.0\n8.380027 0.000000 0.000000\n0.000000 7.010398 0.000000\n0.000000 3.624748 8.377630\nMg Ni P O\n4 4 8 28\ndirect\n0.940773 0.694530 0.180639 Mg\n0.440773 0.305470 0.319361 Mg\n0.559227 0.694530 0.680639 Mg\n0.059227 0.305470 0.819361 Mg\n0.074729 0.229935 0.389894 Ni\n0.925271 0.770065 0.610106 Ni\n0.574729 0.770065 0.110106 Ni\n0.425271 0.229935 0.889894 Ni\n0.732929 0.059806 0.759548 P\n0.227549 0.530595 0.032086 P\n0.767071 0.059806 0.259548 P\n0.272451 0.530595 0.532086 P\n0.232929 0.940194 0.740452 P\n0.727549 0.469405 0.467914 P\n0.772451 0.469405 0.967914 P\n0.267071 0.940194 0.240452 P\n0.173859 0.748582 0.899145 O\n0.610090 0.112363 0.314612 O\n0.889910 0.112363 0.814612 O\n0.390221 0.550721 0.102981 O\n0.826141 0.251418 0.100855 O\n0.095238 0.975226 0.620146 O\n0.609779 0.449279 0.897019 O\n0.091394 0.484043 0.153951 O\n0.265029 0.374863 0.450973 O\n0.904762 0.024774 0.379854 O\n0.404762 0.975226 0.120146 O\n0.760117 0.879419 0.203176 O\n0.260117 0.120581 0.296824 O\n0.326141 0.748582 0.399145 O\n0.595238 0.024774 0.879854 O\n0.110090 0.887637 0.185388 O\n0.239883 0.120581 0.796824 O\n0.908606 0.515957 0.846049 O\n0.234971 0.374863 0.950973 O\n0.765029 0.625137 0.049027 O\n0.890221 0.449279 0.397019 O\n0.408606 0.484043 0.653951 O\n0.591394 0.515957 0.346049 O\n0.389910 0.887637 0.685388 O\n0.739883 0.879419 0.703176 O\n0.109779 0.550721 0.602981 O\n0.734971 0.625137 0.549027 O\n0.673859 0.251418 0.600855 O\n",
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{
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"structure_string": "Mg2 Ni4 P4 O20\n1.0\n0.000000 5.552320 8.262122\n3.469913 0.000000 8.262122\n3.469913 5.552320 0.000000\nMg Ni P O\n2 4 4 20\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.625000 0.625000 0.125000 Ni\n0.625000 0.125000 0.625000 Ni\n0.625000 0.625000 0.625000 Ni\n0.125000 0.625000 0.625000 Ni\n0.794485 0.794485 0.205515 P\n0.455515 0.455515 0.044485 P\n0.205515 0.205515 0.794485 P\n0.044485 0.044485 0.455515 P\n0.958875 0.334571 0.013730 O\n0.422276 0.422276 0.577724 O\n0.910141 0.070178 0.365251 O\n0.236270 0.557175 0.291125 O\n0.334571 0.958875 0.692825 O\n0.339859 0.179822 0.884749 O\n0.827724 0.827724 0.672276 O\n0.577724 0.577724 0.422276 O\n0.672276 0.672276 0.827724 O\n0.291125 0.915429 0.236270 O\n0.692825 0.013730 0.334571 O\n0.557175 0.236270 0.915429 O\n0.013730 0.692825 0.958875 O\n0.070178 0.910141 0.654430 O\n0.595570 0.884749 0.179822 O\n0.365251 0.654430 0.910141 O\n0.884749 0.595570 0.339859 O\n0.654430 0.365251 0.070178 O\n0.915429 0.291125 0.557175 O\n0.179822 0.339859 0.595570 O\n",
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{
"id": "mp-1045786",
"created_at": "2022-09-04T14:43:00.057124Z",
"structure_string": "Mg2 Ni2 P8 O24\n1.0\n4.186514 5.926222 0.000000\n-4.186514 5.926222 0.000000\n0.000000 4.770233 8.815659\nMg Ni P O\n2 2 8 24\ndirect\n0.952694 0.047306 0.750000 Mg\n0.047306 0.952694 0.250000 Mg\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.314080 0.293505 0.697410 P\n0.706495 0.685920 0.802590 P\n0.685920 0.706495 0.302590 P\n0.293505 0.314080 0.197410 P\n0.731204 0.250796 0.479082 P\n0.749204 0.268796 0.020918 P\n0.268796 0.749204 0.520918 P\n0.250796 0.731204 0.979082 P\n0.316708 0.530943 0.651392 O\n0.469057 0.683292 0.848608 O\n0.683292 0.469057 0.348608 O\n0.530943 0.316708 0.151392 O\n0.504540 0.208561 0.569149 O\n0.791439 0.495460 0.930851 O\n0.495460 0.791439 0.430851 O\n0.208561 0.504540 0.069149 O\n0.344733 0.192022 0.849059 O\n0.807978 0.655267 0.650941 O\n0.655267 0.807978 0.150941 O\n0.192022 0.344733 0.349059 O\n0.123673 0.280496 0.675194 O\n0.719504 0.876327 0.824806 O\n0.876327 0.719504 0.324806 O\n0.280496 0.123673 0.175194 O\n0.814475 0.285190 0.583487 O\n0.714810 0.185525 0.916513 O\n0.185525 0.714810 0.416513 O\n0.285190 0.814475 0.083487 O\n0.848712 0.088304 0.405256 O\n0.911696 0.151288 0.094744 O\n0.151288 0.911696 0.594744 O\n0.088304 0.848712 0.905256 O\n",
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{
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}