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{
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"results": [
{
"id": "mp-755644",
"created_at": "2022-09-04T14:41:46.571203Z",
"structure_string": "Mn4 P4 O14\n1.0\n4.603859 0.000015 0.010528\n0.000033 10.441105 -0.000040\n-0.690181 -0.000023 5.426833\nMn P O\n4 4 14\ndirect\n0.101023 0.654106 0.410201 Mn\n0.899156 0.154350 0.089717 Mn\n0.100521 0.845591 0.910368 Mn\n0.899444 0.345532 0.589649 Mn\n0.358934 0.109423 0.650607 P\n0.358983 0.390612 0.150577 P\n0.641055 0.609441 0.849390 P\n0.641039 0.890600 0.349419 P\n0.499994 0.000041 0.499993 O\n0.499979 0.500031 0.000018 O\n0.130674 0.322816 0.966026 O\n0.130665 0.177232 0.465971 O\n0.869324 0.822802 0.533986 O\n0.869314 0.677221 0.034046 O\n0.214043 0.043233 0.856197 O\n0.214069 0.456804 0.356191 O\n0.785933 0.543218 0.643811 O\n0.785911 0.956826 0.143813 O\n0.386912 0.696646 0.746631 O\n0.386873 0.803410 0.246620 O\n0.613052 0.196655 0.753373 O\n0.613100 0.303413 0.253395 O\n",
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},
{
"id": "mp-1233553",
"created_at": "2022-09-04T14:41:27.446056Z",
"structure_string": "Ba4 Mg1 Ge4 O12\n1.0\n4.783168 0.067905 -0.047536\n0.078953 6.070886 -0.206250\n-0.166349 -0.470051 13.289996\nBa Mg Ge O\n4 1 4 12\ndirect\n0.214559 0.757220 0.835739 Ba\n0.747513 0.675706 0.136228 Ba\n0.679797 0.294869 0.681614 Ba\n0.184192 0.130000 0.323706 Ba\n0.164783 0.479554 0.533276 Mg\n0.791976 0.246241 0.928382 Ge\n0.302127 0.186861 0.079050 Ge\n0.244593 0.949954 0.580882 Ge\n0.718372 0.741217 0.434217 Ge\n0.722235 0.518499 0.896800 O\n0.247226 0.924331 0.121121 O\n0.329691 0.184733 0.509837 O\n0.859194 0.470113 0.428314 O\n0.720215 0.034026 0.836627 O\n0.235621 0.408074 0.167569 O\n0.165043 0.493733 0.680791 O\n0.724606 0.876645 0.320936 O\n0.360656 0.727642 0.474752 O\n0.866033 0.896613 0.542971 O\n0.677456 0.202819 0.055098 O\n0.169112 0.217815 0.952496 O\n",
"nsites": 21,
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"volume": 385.3369205180169,
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"formula_full": "Ba4 Mg1 Ge4 O12",
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"updated_at": "2021-11-28T01:35:21.758000Z",
"spacegroup": 1
},
{
"id": "mp-754592",
"created_at": "2022-09-04T14:41:48.194613Z",
"structure_string": "Li16 Fe4 O4 F16\n1.0\n6.802433 0.000000 0.000000\n0.000000 0.000000 -8.007036\n0.000000 6.802433 -0.000001\nLi Fe O F\n16 4 4 16\ndirect\n0.292048 0.233965 0.090738 Li\n0.792048 0.483965 0.590738 Li\n0.292048 0.733965 0.090738 Li\n0.792048 0.983965 0.590738 Li\n0.409262 0.983965 0.792048 Li\n0.909262 0.233965 0.292048 Li\n0.409262 0.483965 0.792048 Li\n0.909262 0.733965 0.292048 Li\n0.590738 0.483965 0.207952 Li\n0.090738 0.733965 0.707952 Li\n0.590738 0.983965 0.207952 Li\n0.090738 0.233965 0.707952 Li\n0.707952 0.233965 0.909262 Li\n0.207952 0.483965 0.409262 Li\n0.707952 0.733965 0.909262 Li\n0.207952 0.983965 0.409262 Li\n0.000000 0.484178 0.000000 Fe\n0.500000 0.734178 0.500000 Fe\n0.000000 0.984178 0.000000 Fe\n0.500000 0.234178 0.500000 Fe\n0.000000 0.234064 0.000000 O\n0.500000 0.484064 0.500000 O\n0.000000 0.734064 0.000000 O\n0.500000 0.984064 0.500000 O\n0.309157 0.483975 0.102887 F\n0.809157 0.733975 0.602887 F\n0.309157 0.983975 0.102887 F\n0.809157 0.233975 0.602887 F\n0.397113 0.233975 0.809157 F\n0.897113 0.483975 0.309157 F\n0.397113 0.733975 0.809157 F\n0.897113 0.983975 0.309157 F\n0.602887 0.233975 0.190843 F\n0.102887 0.483975 0.690843 F\n0.602887 0.733975 0.190843 F\n0.102887 0.983975 0.690843 F\n0.690843 0.983975 0.897113 F\n0.190843 0.233975 0.397113 F\n0.690843 0.483975 0.897113 F\n0.190843 0.733975 0.397113 F\n",
"nsites": 40,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.148025571064944,
"density_atomic": 0.1079592016588998,
"volume": 370.51033525035825,
"volume_molar": 5.578163479781119,
"formula_full": "Li16 Fe4 O4 F16",
"formula_reduced": "Li4FeOF4",
"formula_anonymous": "ABC4D4",
"energy": -225.26178174,
"energy_per_atom": -5.6315445435,
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"spacegroup": 87
},
{
"id": "mp-16194",
"created_at": "2022-09-04T14:41:28.354232Z",
"structure_string": "Rb24 Si12 O36\n1.0\n13.727536 0.000000 0.000000\n0.000000 6.599554 0.000000\n0.000000 5.114309 15.768657\nRb Si O\n24 12 36\ndirect\n0.370204 0.098687 0.136170 Rb\n0.167458 0.545783 0.988394 Rb\n0.332542 0.545783 0.488394 Rb\n0.832542 0.454217 0.011606 Rb\n0.629796 0.901313 0.863830 Rb\n0.129796 0.098687 0.636170 Rb\n0.667458 0.454217 0.511606 Rb\n0.870204 0.901313 0.363830 Rb\n0.316245 0.867689 0.801043 Rb\n0.816245 0.132311 0.698957 Rb\n0.683755 0.132311 0.198957 Rb\n0.183755 0.867689 0.301043 Rb\n0.015840 0.642695 0.784225 Rb\n0.515840 0.357305 0.715775 Rb\n0.984160 0.357305 0.215775 Rb\n0.484160 0.642695 0.284225 Rb\n0.083590 0.719664 0.528358 Rb\n0.583590 0.280336 0.971642 Rb\n0.916410 0.280336 0.471642 Rb\n0.416410 0.719664 0.028358 Rb\n0.099542 0.992829 0.083700 Rb\n0.599542 0.007171 0.416300 Rb\n0.900458 0.007171 0.916300 Rb\n0.400458 0.992829 0.583700 Rb\n0.854833 0.731342 0.608569 Si\n0.354833 0.268658 0.891431 Si\n0.145167 0.268658 0.391431 Si\n0.645167 0.731342 0.108569 Si\n0.639485 0.841510 0.638168 Si\n0.139485 0.158490 0.861832 Si\n0.360515 0.158490 0.361832 Si\n0.860515 0.841510 0.138168 Si\n0.762569 0.550982 0.786803 Si\n0.262569 0.449018 0.713197 Si\n0.237431 0.449018 0.213197 Si\n0.737431 0.550982 0.286803 Si\n0.942054 0.892783 0.614704 O\n0.442054 0.107217 0.885296 O\n0.057946 0.107217 0.385296 O\n0.557946 0.892783 0.114704 O\n0.869886 0.604126 0.540051 O\n0.369886 0.395874 0.959949 O\n0.130114 0.395874 0.459949 O\n0.630114 0.604126 0.040051 O\n0.106759 0.930557 0.852861 O\n0.606759 0.069443 0.647139 O\n0.893241 0.069443 0.147139 O\n0.393241 0.930557 0.352861 O\n0.565572 0.734321 0.586808 O\n0.065572 0.265679 0.913192 O\n0.434428 0.265679 0.413192 O\n0.934428 0.734321 0.086808 O\n0.809696 0.702436 0.837682 O\n0.840261 0.669383 0.236792 O\n0.190304 0.297564 0.162318 O\n0.690304 0.702436 0.337682 O\n0.738966 0.306574 0.841693 O\n0.238966 0.693426 0.658307 O\n0.261034 0.693426 0.158307 O\n0.761034 0.306574 0.341693 O\n0.836834 0.549222 0.705121 O\n0.336834 0.450778 0.794879 O\n0.163166 0.450778 0.294879 O\n0.663166 0.549222 0.205121 O\n0.750024 0.874124 0.589530 O\n0.250024 0.125876 0.910470 O\n0.249976 0.125876 0.410470 O\n0.749976 0.874124 0.089530 O\n0.659739 0.669383 0.736792 O\n0.159739 0.330617 0.763208 O\n0.340261 0.330617 0.263208 O\n0.309696 0.297564 0.662318 O\n",
"nsites": 72,
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"elements": [
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"Si",
"O"
],
"chemical_system": "O-Rb-Si",
"density": 3.4455562602606853,
"density_atomic": 0.05040000875144494,
"volume": 1428.5711805146423,
"volume_molar": 11.94868990935909,
"formula_full": "Rb24 Si12 O36",
"formula_reduced": "Rb2SiO3",
"formula_anonymous": "AB2C3",
"energy": -456.4170988,
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"updated_at": "2021-11-28T01:35:21.745000Z",
"spacegroup": 14
},
{
"id": "mp-1017550",
"created_at": "2022-09-04T14:41:19.641562Z",
"structure_string": "Be3 N2\n1.0\n1.408889 -2.440267 0.000000\n1.408889 2.440267 0.000000\n0.000000 0.000000 4.667022\nBe N\n3 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.666667 0.333333 0.649633 Be\n0.333333 0.666667 0.350367 Be\n0.333333 0.666667 0.747058 N\n0.666667 0.333333 0.252942 N\n",
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],
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"formula_full": "Be3 N2",
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"energy": -32.94112701,
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"spacegroup": 164
},
{
"id": "mp-776954",
"created_at": "2022-09-04T14:41:17.283345Z",
"structure_string": "Li4 Mn2 P2 H2 O10\n1.0\n-0.622243 -2.026042 5.023339\n5.588992 -0.159477 0.213966\n-2.271758 7.390116 0.000205\nLi Mn P H O\n4 2 2 2 10\ndirect\n0.208668 0.575558 0.211013 Li\n0.791153 0.424643 0.788842 Li\n0.482666 0.124936 0.832367 Li\n0.518025 0.874908 0.167645 Li\n0.999593 0.999973 0.500526 Mn\n0.000086 0.000335 0.999683 Mn\n0.665377 0.377005 0.228177 P\n0.334628 0.622882 0.771775 P\n0.670360 0.916080 0.635104 H\n0.329303 0.083988 0.365110 H\n0.861976 0.356505 0.117350 O\n0.138240 0.643610 0.882822 O\n0.382188 0.247078 0.069978 O\n0.617903 0.752800 0.929750 O\n0.270271 0.772807 0.630881 O\n0.729724 0.226942 0.368924 O\n0.655242 0.663450 0.328719 O\n0.344839 0.336480 0.671220 O\n0.815472 0.061158 0.723505 O\n0.184291 0.938859 0.276604 O\n",
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"formula_full": "Li4 Mn2 P2 H2 O10",
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{
"id": "mp-998417",
"created_at": "2022-09-04T14:41:52.066748Z",
"structure_string": "Cs1 Sr1 I3\n1.0\n4.576151 4.577025 0.000000\n-4.576151 4.577025 0.000000\n0.000000 0.014678 6.464792\nCs Sr I\n1 1 3\ndirect\n0.001758 0.001758 0.999585 Cs\n0.505731 0.505731 0.517708 Sr\n0.002374 0.499111 0.513510 I\n0.487754 0.487754 0.016780 I\n0.499111 0.002374 0.513510 I\n",
"nsites": 5,
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],
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"formula_full": "Cs1 Sr1 I3",
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{
"id": "mp-1181859",
"created_at": "2022-09-04T14:41:26.568517Z",
"structure_string": "K8 Fe8 P8 O28 F8\n1.0\n7.081596 0.000000 0.000000\n0.000000 10.320397 0.000000\n0.000000 0.000000 10.610001\nK Fe P O F\n8 8 8 28 8\ndirect\n0.569503 0.163842 0.053606 K\n0.930497 0.336158 0.553606 K\n0.930497 0.663842 0.053606 K\n0.569503 0.836158 0.553606 K\n0.069503 0.336158 0.946394 K\n0.430497 0.836158 0.946394 K\n0.069503 0.663842 0.446394 K\n0.430497 0.163842 0.446394 K\n0.000000 0.161069 0.250000 Fe\n0.500000 0.338931 0.750000 Fe\n0.500000 0.661069 0.250000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.838931 0.750000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.790269 0.428688 0.254386 P\n0.290269 0.928688 0.245614 P\n0.290269 0.071312 0.745614 P\n0.709731 0.071312 0.754386 P\n0.790269 0.571312 0.754386 P\n0.209731 0.571312 0.745614 P\n0.709731 0.928688 0.254386 P\n0.209731 0.428688 0.245614 P\n0.156308 0.007630 0.339232 O\n0.343692 0.507630 0.339232 O\n0.843692 0.992370 0.660768 O\n0.363987 0.184638 0.838915 O\n0.656308 0.492370 0.660768 O\n0.765844 0.995773 0.884344 O\n0.000000 0.492877 0.750000 O\n0.000000 0.507123 0.250000 O\n0.636013 0.184638 0.661085 O\n0.765844 0.004227 0.384344 O\n0.734156 0.504227 0.384344 O\n0.234156 0.995773 0.615656 O\n0.234156 0.004227 0.115656 O\n0.863987 0.315362 0.161085 O\n0.156308 0.992370 0.839232 O\n0.363987 0.815362 0.338915 O\n0.734156 0.495773 0.884344 O\n0.636013 0.815362 0.161085 O\n0.843692 0.007630 0.160768 O\n0.656308 0.507630 0.160768 O\n0.343692 0.492370 0.839232 O\n0.500000 0.992877 0.750000 O\n0.265844 0.495773 0.615656 O\n0.863987 0.684638 0.661085 O\n0.136013 0.684638 0.838915 O\n0.265844 0.504227 0.115656 O\n0.136013 0.315362 0.338915 O\n0.500000 0.007123 0.250000 O\n0.323175 0.291988 0.166716 F\n0.676825 0.708012 0.833284 F\n0.176825 0.208012 0.666716 F\n0.323175 0.708012 0.666716 F\n0.823175 0.791988 0.333284 F\n0.176825 0.791988 0.166716 F\n0.676825 0.291988 0.333284 F\n0.823175 0.208012 0.833284 F\n",
"nsites": 60,
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"volume": 775.4306723103055,
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"formula_full": "K8 Fe8 P8 O28 F8",
"formula_reduced": "K2Fe2P2O7F2",
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},
{
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