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{
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{
"id": "mp-1205368",
"created_at": "2022-09-04T14:39:24.273353Z",
"structure_string": "Zn4 W4 O16\n1.0\n3.876119 -5.505280 0.000000\n3.876119 5.505280 0.000000\n0.000000 0.000000 5.394438\nZn W O\n4 4 16\ndirect\n0.109942 0.390058 0.750000 Zn\n0.390058 0.109942 0.250000 Zn\n0.890058 0.609942 0.250000 Zn\n0.609942 0.890058 0.750000 Zn\n0.891749 0.108251 0.265474 W\n0.108251 0.891749 0.734526 W\n0.608251 0.391749 0.765474 W\n0.391749 0.608251 0.234526 W\n0.420404 0.079596 0.750000 O\n0.079596 0.420404 0.250000 O\n0.579596 0.920404 0.250000 O\n0.920404 0.579596 0.750000 O\n0.779336 0.220664 0.535466 O\n0.220664 0.779336 0.464534 O\n0.720664 0.279336 0.035466 O\n0.279336 0.720664 0.964534 O\n0.348263 0.348263 0.000000 O\n0.848263 0.848263 0.500000 O\n0.651737 0.651737 0.000000 O\n0.151737 0.151737 0.500000 O\n0.920225 0.079775 0.883226 O\n0.079775 0.920225 0.116774 O\n0.579775 0.420225 0.383226 O\n0.420225 0.579775 0.616774 O\n",
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{
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"structure_string": "Ni6 P8 Pb2 O28\n1.0\n7.796022 0.000000 0.000000\n0.000000 7.485709 0.000000\n0.000000 3.575458 8.833420\nNi P Pb O\n6 8 2 28\ndirect\n0.624081 0.815345 0.026032 Ni\n0.875919 0.815345 0.526032 Ni\n0.375919 0.184655 0.973968 Ni\n0.124081 0.184655 0.473968 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.558002 0.603776 0.798511 P\n0.202278 0.890559 0.304769 P\n0.441998 0.396224 0.201489 P\n0.058002 0.396224 0.701489 P\n0.702278 0.109441 0.195231 P\n0.797722 0.109441 0.695231 P\n0.297722 0.890559 0.804769 P\n0.941998 0.603776 0.298511 P\n0.500000 0.500000 0.500000 Pb\n0.000000 0.500000 0.000000 Pb\n0.120969 0.267151 0.863514 O\n0.870725 0.315540 0.684129 O\n0.626201 0.152564 0.612847 O\n0.370725 0.684460 0.815871 O\n0.879031 0.732849 0.136486 O\n0.126201 0.847436 0.887153 O\n0.477496 0.600612 0.192884 O\n0.425418 0.972741 0.887450 O\n0.574582 0.027259 0.112550 O\n0.373799 0.847436 0.387153 O\n0.674006 0.623275 0.920212 O\n0.925418 0.027259 0.612550 O\n0.129275 0.684460 0.315871 O\n0.825994 0.623275 0.420212 O\n0.290938 0.004331 0.633651 O\n0.174006 0.376725 0.579788 O\n0.629275 0.315540 0.184129 O\n0.379031 0.267151 0.363514 O\n0.620969 0.732849 0.636486 O\n0.022504 0.600612 0.692884 O\n0.709062 0.995669 0.366349 O\n0.325994 0.376725 0.079788 O\n0.790938 0.995669 0.866349 O\n0.074582 0.972741 0.387450 O\n0.873799 0.152564 0.112847 O\n0.522504 0.399388 0.807116 O\n0.977496 0.399388 0.307116 O\n0.209062 0.004331 0.133651 O\n",
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"formula_full": "Ni6 P8 Pb2 O28",
"formula_reduced": "Ni3P4PbO14",
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"spacegroup": 14
},
{
"id": "mp-1221952",
"created_at": "2022-09-04T14:39:24.285342Z",
"structure_string": "Mg4 Ti8 Ni4 O24\n1.0\n0.000456 -2.939059 4.670550\n7.630299 4.407045 -0.000294\n-5.084888 5.872105 4.666321\nMg Ti Ni O\n4 8 4 24\ndirect\n0.545207 0.676718 0.515102 Mg\n0.795168 0.176664 0.265059 Mg\n0.295164 0.176661 0.765056 Mg\n0.045203 0.676717 0.015105 Mg\n0.927850 0.428365 0.642620 Ti\n0.177861 0.928511 0.392713 Ti\n0.677885 0.928506 0.892702 Ti\n0.427813 0.428379 0.142615 Ti\n0.822706 0.071675 0.607457 Ti\n0.072690 0.571733 0.357571 Ti\n0.572709 0.571739 0.857562 Ti\n0.322706 0.071681 0.107435 Ti\n0.210583 0.824580 0.736920 Ni\n0.460563 0.324588 0.486859 Ni\n0.960443 0.324555 0.986816 Ni\n0.710517 0.824561 0.236926 Ni\n0.609650 0.524189 0.648756 O\n0.859802 0.024232 0.398446 O\n0.359818 0.024239 0.898482 O\n0.109720 0.524203 0.148720 O\n0.597243 0.886600 0.661306 O\n0.847030 0.386543 0.411273 O\n0.347060 0.386536 0.911308 O\n0.097246 0.886613 0.161306 O\n0.874812 0.717943 0.383531 O\n0.125008 0.218077 0.133330 O\n0.625005 0.218082 0.633338 O\n0.374825 0.717946 0.883533 O\n0.137468 0.974366 0.601526 O\n0.387385 0.474528 0.351258 O\n0.887390 0.474525 0.851268 O\n0.637471 0.974370 0.101525 O\n0.150394 0.614266 0.588386 O\n0.400688 0.114396 0.338039 O\n0.900688 0.114392 0.838047 O\n0.650383 0.614254 0.088390 O\n0.873858 0.781230 0.865088 O\n0.124114 0.280790 0.614733 O\n0.624027 0.280811 0.114756 O\n0.373856 0.781240 0.365137 O\n",
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"elements": [
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"Ni",
"O"
],
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"density": 4.359443655365534,
"density_atomic": 0.09556036111602685,
"volume": 418.583600279964,
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"formula_full": "Mg4 Ti8 Ni4 O24",
"formula_reduced": "MgTi2NiO6",
"formula_anonymous": "ABC2D6",
"energy": -330.85708745,
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"updated_at": "2021-11-28T01:34:35.208000Z",
"spacegroup": 146
},
{
"id": "mp-1205930",
"created_at": "2022-09-04T14:39:24.866897Z",
"structure_string": "Li5 Ga4\n1.0\n2.192645 -3.797773 0.000000\n2.192645 3.797773 0.000000\n0.000000 0.000000 8.315474\nLi Ga\n5 4\ndirect\n0.333333 0.666667 0.112966 Li\n0.666667 0.333333 0.887034 Li\n0.333333 0.666667 0.445126 Li\n0.666667 0.333333 0.554874 Li\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.777929 Ga\n0.666667 0.333333 0.222071 Ga\n0.000000 0.000000 0.333878 Ga\n0.000000 0.000000 0.666122 Ga\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Ga-Li",
"density": 3.760162948192507,
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"volume": 138.4886976557432,
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"formula_full": "Li5 Ga4",
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"formula_anonymous": "A4B5",
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},
{
"id": "mp-759364",
"created_at": "2022-09-04T14:39:24.240122Z",
"structure_string": "Li12 Co12 Si12 O48\n1.0\n5.337775 -9.245298 0.000000\n5.337775 9.245298 0.000000\n0.000000 0.000000 12.008706\nLi Co Si O\n12 12 12 48\ndirect\n0.000000 0.500000 0.008945 Li\n0.000000 0.500000 0.657722 Li\n0.000000 0.500000 0.333333 Li\n0.000000 0.000000 0.166667 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.833333 Li\n0.500000 0.500000 0.342278 Li\n0.500000 0.500000 0.666667 Li\n0.500000 0.500000 0.991055 Li\n0.500000 0.000000 0.324388 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.675612 Li\n0.000000 0.747419 0.833333 Co\n0.000000 0.252581 0.833333 Co\n0.250323 0.749677 0.166667 Co\n0.250323 0.500647 0.500000 Co\n0.499353 0.749677 0.833333 Co\n0.252581 0.252581 0.166667 Co\n0.252581 0.000000 0.500000 Co\n0.747419 0.747419 0.166667 Co\n0.500647 0.250323 0.833333 Co\n0.749677 0.499353 0.500000 Co\n0.749677 0.250323 0.166667 Co\n0.747419 0.000000 0.500000 Co\n0.000000 0.754319 0.333333 Si\n0.247985 0.752015 0.666667 Si\n0.000000 0.245681 0.333333 Si\n0.247985 0.495971 0.000000 Si\n0.245681 0.245681 0.666667 Si\n0.504029 0.752015 0.333333 Si\n0.245681 0.000000 0.000000 Si\n0.495971 0.247985 0.333333 Si\n0.754319 0.754319 0.666667 Si\n0.752015 0.504029 0.000000 Si\n0.752015 0.247985 0.666667 Si\n0.754319 0.000000 0.000000 Si\n0.079154 0.887237 0.423004 O\n0.112763 0.920846 0.910329 O\n0.095130 0.694308 0.734580 O\n0.105514 0.705347 0.268940 O\n0.294653 0.894486 0.064393 O\n0.305692 0.904870 0.598754 O\n0.197154 0.610403 0.586419 O\n0.095130 0.400822 0.932087 O\n0.197154 0.586751 0.080248 O\n0.105514 0.400167 0.397727 O\n0.079154 0.191918 0.243663 O\n0.389597 0.802846 0.746915 O\n0.413249 0.802846 0.253085 O\n0.112763 0.191918 0.756337 O\n0.294653 0.400167 0.602273 O\n0.389597 0.586751 0.919752 O\n0.305692 0.400822 0.067913 O\n0.413249 0.610403 0.413581 O\n0.191918 0.112763 0.576996 O\n0.191918 0.079154 0.089671 O\n0.599178 0.904870 0.401246 O\n0.599833 0.894486 0.935607 O\n0.599833 0.705347 0.731060 O\n0.400822 0.305692 0.265420 O\n0.599178 0.694308 0.265420 O\n0.400167 0.294653 0.731060 O\n0.400167 0.105514 0.935607 O\n0.400822 0.095130 0.401246 O\n0.808082 0.920846 0.089671 O\n0.808082 0.887237 0.576996 O\n0.586751 0.389597 0.413581 O\n0.694308 0.599178 0.067913 O\n0.610403 0.413249 0.919752 O\n0.705347 0.599833 0.602273 O\n0.887237 0.808082 0.756337 O\n0.586751 0.197154 0.253085 O\n0.610403 0.197154 0.746915 O\n0.920846 0.808082 0.243663 O\n0.894486 0.599833 0.397727 O\n0.802846 0.413249 0.080248 O\n0.904870 0.599178 0.932087 O\n0.802846 0.389597 0.586419 O\n0.694308 0.095130 0.598754 O\n0.705347 0.105514 0.064393 O\n0.894486 0.294653 0.268940 O\n0.904870 0.305692 0.734580 O\n0.887237 0.079154 0.910329 O\n0.920846 0.112763 0.423004 O\n",
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"formula_full": "Li12 Co12 Si12 O48",
"formula_reduced": "LiCoSiO4",
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{
"id": "mp-1206973",
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"structure_string": "Fe2 Co2 Ge2\n1.0\n2.038332 -3.530495 0.000000\n2.038332 3.530495 0.000000\n0.000000 0.000000 4.981334\nFe Co Ge\n2 2 2\ndirect\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n",
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{
"id": "mp-5416",
"created_at": "2022-09-04T14:39:24.254711Z",
"structure_string": "Na8 Se4 O12\n1.0\n10.124921 0.000000 0.000000\n0.000000 4.962479 0.000000\n0.000000 0.006217 7.021675\nNa Se O\n8 4 12\ndirect\n0.413950 0.262111 0.851976 Na\n0.243244 0.756783 0.092842 Na\n0.256756 0.756783 0.592842 Na\n0.756756 0.243217 0.907158 Na\n0.586050 0.737889 0.148024 Na\n0.086050 0.262111 0.351976 Na\n0.913950 0.737889 0.648024 Na\n0.743244 0.243217 0.407158 Na\n0.914159 0.783217 0.190431 Se\n0.414159 0.216783 0.309569 Se\n0.085841 0.216783 0.809569 Se\n0.585841 0.783217 0.690431 Se\n0.600660 0.128840 0.665623 O\n0.100660 0.871160 0.834377 O\n0.399340 0.871160 0.334377 O\n0.899340 0.128840 0.165623 O\n0.711552 0.720445 0.854296 O\n0.211552 0.279555 0.645704 O\n0.288448 0.279555 0.145704 O\n0.788448 0.720445 0.354296 O\n0.443744 0.753576 0.829081 O\n0.056256 0.753576 0.329081 O\n0.556256 0.246424 0.170919 O\n0.943744 0.246424 0.670919 O\n",
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"spacegroup": 14
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{
"id": "mp-699363",
"created_at": "2022-09-04T14:39:24.257918Z",
"structure_string": "Sr2 La2 Mn2 Ru2 O12\n1.0\n0.000022 5.644754 -0.144413\n-0.000025 0.196931 8.026222\n5.765849 0.000022 -0.000018\nSr La Mn Ru O\n2 2 2 2 12\ndirect\n0.993836 0.251052 0.961871 Sr\n0.493829 0.751055 0.538126 Sr\n0.510609 0.252137 0.448914 La\n0.010616 0.752136 0.051093 La\n0.500460 0.501375 0.993021 Mn\n0.000470 0.001378 0.506989 Mn\n0.500405 0.000040 0.997786 Ru\n0.000398 0.500041 0.502212 Ru\n0.430173 0.240950 0.027711 O\n0.930171 0.740949 0.472291 O\n0.796195 0.457958 0.225275 O\n0.296193 0.957958 0.274718 O\n0.777855 0.037538 0.203530 O\n0.277858 0.537538 0.296464 O\n0.090451 0.258968 0.518490 O\n0.590449 0.758965 0.981512 O\n0.712313 0.455275 0.693654 O\n0.212313 0.955272 0.806346 O\n0.687707 0.044708 0.709959 O\n0.187702 0.544708 0.790039 O\n",
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"formula_full": "Sr2 La2 Mn2 Ru2 O12",
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{
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{
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},
{
"id": "mp-866669",
"created_at": "2022-09-04T14:39:24.332904Z",
"structure_string": "Sr34 Li12 Hg18\n1.0\n-8.333755 8.333755 8.333755\n8.333755 -8.333755 8.333755\n8.333755 8.333755 -8.333755\nSr Li Hg\n34 12 18\ndirect\n0.000000 0.000000 0.000000 Sr\n0.261073 0.448861 0.448861 Sr\n0.738927 0.187788 0.187788 Sr\n0.000000 0.500000 0.500000 Sr\n0.261073 0.812212 0.812212 Sr\n0.738927 0.551139 0.551139 Sr\n0.448861 0.261073 0.448861 Sr\n0.551139 0.551139 0.738927 Sr\n0.551139 0.812212 0.000000 Sr\n0.448861 0.000000 0.187788 Sr\n0.250000 0.500000 0.750000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.187788 0.448861 Sr\n0.000000 0.551139 0.812212 Sr\n0.187788 0.738927 0.187788 Sr\n0.812212 0.551139 0.000000 Sr\n0.187788 0.000000 0.448861 Sr\n0.812212 0.812212 0.261073 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.250000 0.750000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.750000 0.250000 Sr\n0.812212 0.261073 0.812212 Sr\n0.187788 0.448861 0.000000 Sr\n0.187788 0.187788 0.738927 Sr\n0.812212 0.000000 0.551139 Sr\n0.000000 0.448861 0.187788 Sr\n0.000000 0.812212 0.551139 Sr\n0.250000 0.750000 0.500000 Sr\n0.750000 0.500000 0.250000 Sr\n0.551139 0.738927 0.551139 Sr\n0.551139 0.000000 0.812212 Sr\n0.448861 0.187788 0.000000 Sr\n0.448861 0.448861 0.261073 Sr\n0.704075 0.852038 0.852038 Li\n0.295925 0.147962 0.147962 Li\n0.852038 0.704075 0.852038 Li\n0.147962 0.852038 0.000000 Li\n0.147962 0.147962 0.295925 Li\n0.852038 0.000000 0.147962 Li\n0.000000 0.852038 0.147962 Li\n0.000000 0.147962 0.852038 Li\n0.147962 0.295925 0.147962 Li\n0.852038 0.147962 0.000000 Li\n0.147962 0.000000 0.852038 Li\n0.852038 0.852038 0.704075 Li\n0.000000 0.231166 0.231166 Hg\n0.409357 0.704678 0.704678 Hg\n0.590643 0.295322 0.295322 Hg\n0.000000 0.768834 0.768834 Hg\n0.231166 0.000000 0.231166 Hg\n0.768834 0.768834 0.000000 Hg\n0.704678 0.409357 0.704678 Hg\n0.295322 0.295322 0.590643 Hg\n0.704678 0.000000 0.295322 Hg\n0.295322 0.704678 0.000000 Hg\n0.000000 0.295322 0.704678 Hg\n0.000000 0.704678 0.295322 Hg\n0.295322 0.590643 0.295322 Hg\n0.704678 0.295322 0.000000 Hg\n0.295322 0.000000 0.704678 Hg\n0.704678 0.704678 0.409357 Hg\n0.768834 0.000000 0.768834 Hg\n0.231166 0.231166 0.000000 Hg\n",
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{
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"created_at": "2022-09-04T14:39:24.260740Z",
"structure_string": "Fe24 N8\n1.0\n2.328446 -4.032987 0.000000\n2.328446 4.032987 0.000000\n0.000000 0.000000 17.231024\nFe N\n24 8\ndirect\n0.005954 0.339661 0.937716 Fe\n0.999562 0.327711 0.187334 Fe\n0.000062 0.325928 0.687648 Fe\n0.333707 0.339661 0.062284 Fe\n0.326705 0.326842 0.562589 Fe\n0.325866 0.325928 0.312352 Fe\n0.328150 0.327711 0.812666 Fe\n0.660339 0.666293 0.937716 Fe\n0.672289 0.671850 0.187334 Fe\n0.674072 0.674134 0.687648 Fe\n0.673158 0.673295 0.437411 Fe\n0.333707 0.994046 0.937716 Fe\n0.328150 0.000438 0.187334 Fe\n0.326705 0.999863 0.437411 Fe\n0.325866 0.999938 0.687648 Fe\n0.660339 0.994046 0.062284 Fe\n0.674072 0.999938 0.312352 Fe\n0.673158 0.999863 0.562589 Fe\n0.672289 0.000438 0.812666 Fe\n0.005954 0.666293 0.062284 Fe\n0.000062 0.674134 0.312352 Fe\n0.000137 0.673295 0.562589 Fe\n0.999562 0.671850 0.812666 Fe\n0.000137 0.326842 0.437411 Fe\n0.333333 0.666667 0.249461 N\n0.333333 0.666667 0.500000 N\n0.333333 0.666667 0.750539 N\n0.000000 0.000000 0.000000 N\n0.666667 0.333333 0.124649 N\n0.666667 0.333333 0.374998 N\n0.666667 0.333333 0.625002 N\n0.666667 0.333333 0.875351 N\n",
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}