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{
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"results": [
{
"id": "mp-556916",
"created_at": "2022-09-04T14:48:01.917438Z",
"structure_string": "Ga2 Ag2 S4\n1.0\n4.088293 4.084225 0.000000\n-4.088293 4.084225 0.000000\n0.000000 3.999217 5.291502\nGa Ag S\n2 2 4\ndirect\n0.367784 0.612713 0.992307 Ga\n0.612713 0.367784 0.492307 Ga\n0.899611 0.105981 0.994748 Ag\n0.105981 0.899611 0.494748 Ag\n0.277884 0.506636 0.730352 S\n0.995260 0.690131 0.257594 S\n0.506636 0.277884 0.230352 S\n0.690131 0.995260 0.757594 S\n",
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"elements": [
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{
"id": "mp-27522",
"created_at": "2022-09-04T14:48:01.923358Z",
"structure_string": "K8 Zr8 O20\n1.0\n5.932624 0.000000 0.000000\n0.000000 8.885786 0.000000\n0.000000 0.000000 10.910065\nK Zr O\n8 8 20\ndirect\n0.063572 0.421661 0.166059 K\n0.063572 0.078339 0.333941 K\n0.436428 0.421661 0.833941 K\n0.436428 0.078339 0.666059 K\n0.936428 0.578339 0.833941 K\n0.936428 0.921661 0.666059 K\n0.563572 0.578339 0.166059 K\n0.563572 0.921661 0.333941 K\n0.531612 0.340791 0.423382 Zr\n0.531612 0.159209 0.076618 Zr\n0.968388 0.340791 0.576618 Zr\n0.968388 0.159209 0.923382 Zr\n0.468388 0.659209 0.576618 Zr\n0.468388 0.840791 0.923382 Zr\n0.031612 0.659209 0.423382 Zr\n0.031612 0.840791 0.076618 Zr\n0.491680 0.250000 0.250000 O\n0.008320 0.250000 0.750000 O\n0.508320 0.750000 0.750000 O\n0.991680 0.750000 0.250000 O\n0.250000 0.822695 0.500000 O\n0.250000 0.677305 0.000000 O\n0.750000 0.177305 0.500000 O\n0.750000 0.322695 0.000000 O\n0.250000 0.245000 0.500000 O\n0.250000 0.255000 0.000000 O\n0.750000 0.755000 0.500000 O\n0.750000 0.745000 0.000000 O\n0.373452 0.949579 0.106976 O\n0.373452 0.550421 0.393024 O\n0.126548 0.949579 0.893024 O\n0.126548 0.550421 0.606976 O\n0.873452 0.449579 0.393024 O\n0.873452 0.050421 0.106976 O\n0.626548 0.449579 0.606976 O\n0.626548 0.050421 0.893024 O\n",
"nsites": 36,
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"elements": [
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"Zr",
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],
"chemical_system": "K-O-Zr",
"density": 3.934021786212414,
"density_atomic": 0.06259396873986756,
"volume": 575.1352841934555,
"volume_molar": 9.620960104043311,
"formula_full": "K8 Zr8 O20",
"formula_reduced": "K2Zr2O5",
"formula_anonymous": "A2B2C5",
"energy": -289.4480624,
"energy_per_atom": -8.040223955555556,
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"updated_at": "2021-11-28T01:38:17.647000Z",
"spacegroup": 52
},
{
"id": "mp-1210710",
"created_at": "2022-09-04T14:48:01.929969Z",
"structure_string": "Rb8 Ta4 Cu4 Se8\n1.0\n5.649379 0.000000 0.000000\n2.824689 6.289533 0.000000\n2.824689 0.000000 22.865906\nRb Ta Cu Se\n8 4 4 8\ndirect\n0.617879 0.262993 0.590319 Rb\n0.791802 0.737007 0.590319 Rb\n0.119127 0.262993 0.409681 Rb\n0.132121 0.237007 0.909681 Rb\n0.471191 0.737007 0.409681 Rb\n0.958198 0.762993 0.909681 Rb\n0.630873 0.237007 0.090319 Rb\n0.278809 0.762993 0.090319 Rb\n0.875000 0.250000 0.250000 Ta\n0.875000 0.750000 0.250000 Ta\n0.875000 0.250000 0.750000 Ta\n0.375000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Cu\n0.375000 0.750000 0.250000 Cu\n0.375000 0.250000 0.750000 Cu\n0.875000 0.750000 0.750000 Cu\n0.108938 0.221460 0.151788 Se\n0.739274 0.778540 0.151788 Se\n0.669601 0.221460 0.848212 Se\n0.641062 0.278540 0.348212 Se\n0.482186 0.778540 0.848212 Se\n0.010726 0.721460 0.348212 Se\n0.080399 0.278540 0.651788 Se\n0.267814 0.721460 0.651788 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Ta",
"Cu",
"Se"
],
"chemical_system": "Cu-Rb-Se-Ta",
"density": 4.687280962856242,
"density_atomic": 0.029539539217592142,
"volume": 812.4703578892289,
"volume_molar": 20.386711910568806,
"formula_full": "Rb8 Ta4 Cu4 Se8",
"formula_reduced": "Rb2TaCuSe2",
"formula_anonymous": "ABC2D2",
"energy": -103.01007332,
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"updated_at": "2021-11-28T01:38:26.878000Z",
"spacegroup": 70
},
{
"id": "mp-767011",
"created_at": "2022-09-04T14:48:01.948883Z",
"structure_string": "Li7 Mn3 Si2 O12\n1.0\n4.226408 2.541588 0.000000\n-4.226408 2.541588 0.000000\n0.000000 1.130946 9.718457\nLi Mn Si O\n7 3 2 12\ndirect\n0.748997 0.748997 0.760352 Li\n0.000000 0.000000 0.000000 Li\n0.916269 0.590312 0.245585 Li\n0.409688 0.083731 0.754415 Li\n0.251003 0.251003 0.239648 Li\n0.590312 0.916269 0.245585 Li\n0.083731 0.409688 0.754415 Li\n0.500000 0.500000 0.500000 Mn\n0.833374 0.166626 0.500000 Mn\n0.166626 0.833374 0.500000 Mn\n0.668134 0.331866 0.000000 Si\n0.331866 0.668134 0.000000 Si\n0.902878 0.902878 0.376585 O\n0.023902 0.652272 0.898584 O\n0.765990 0.432261 0.620897 O\n0.594403 0.594403 0.104096 O\n0.976098 0.347728 0.101416 O\n0.567739 0.234010 0.379103 O\n0.405597 0.405597 0.895904 O\n0.097122 0.097122 0.623415 O\n0.432261 0.765990 0.620897 O\n0.652272 0.023902 0.898584 O\n0.347728 0.976098 0.101416 O\n0.234010 0.567739 0.379103 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.670946214706977,
"density_atomic": 0.11494957173032716,
"volume": 208.78720676145048,
"volume_molar": 5.238941450019493,
"formula_full": "Li7 Mn3 Si2 O12",
"formula_reduced": "Li7Mn3(SiO6)2",
"formula_anonymous": "A2B3C7D12",
"energy": -169.33012556999998,
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"updated_at": "2021-11-28T01:38:25.535000Z",
"spacegroup": 12
},
{
"id": "mp-1080381",
"created_at": "2022-09-04T14:48:01.951937Z",
"structure_string": "Sm1 B2 Ir3\n1.0\n2.758071 -4.777120 0.000000\n2.758071 4.777120 0.000000\n0.000000 0.000000 3.153729\nSm B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Sm\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.500000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n",
"nsites": 6,
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"elements": [
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"B",
"Ir"
],
"chemical_system": "B-Ir-Sm",
"density": 14.95863979755754,
"density_atomic": 0.07219802050149553,
"volume": 83.10477154807471,
"volume_molar": 8.34114386816915,
"formula_full": "Sm1 B2 Ir3",
"formula_reduced": "SmB2Ir3",
"formula_anonymous": "AB2C3",
"energy": -48.58002004,
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"updated_at": "2021-11-28T01:38:24.845000Z",
"spacegroup": 191
},
{
"id": "mp-1040936",
"created_at": "2022-09-04T14:48:01.915679Z",
"structure_string": "Co8 P8 O32\n1.0\n2.487788 9.004744 0.000000\n-2.487788 9.004744 0.000000\n0.000000 6.958076 13.851344\nCo P O\n8 8 32\ndirect\n0.405539 0.793037 0.027228 Co\n0.206963 0.594461 0.472772 Co\n0.594461 0.206963 0.972772 Co\n0.000000 0.500000 0.000000 Co\n0.793037 0.405539 0.527228 Co\n0.677485 0.322515 0.750000 Co\n0.322515 0.677485 0.250000 Co\n0.500000 0.000000 0.500000 Co\n0.481315 0.948126 0.134107 P\n0.806453 0.223665 0.380242 P\n0.518685 0.051874 0.865893 P\n0.223665 0.806453 0.880242 P\n0.948126 0.481315 0.634107 P\n0.051874 0.518685 0.365893 P\n0.193547 0.776335 0.619758 P\n0.776335 0.193547 0.119758 P\n0.196402 0.297113 0.901416 O\n0.705428 0.150609 0.067529 O\n0.297113 0.196402 0.401416 O\n0.611251 0.241768 0.450209 O\n0.657965 0.787132 0.946004 O\n0.675825 0.432997 0.288810 O\n0.758232 0.388749 0.049791 O\n0.911941 0.098992 0.861096 O\n0.388749 0.758232 0.549791 O\n0.849391 0.294572 0.432471 O\n0.628215 0.112236 0.871105 O\n0.001327 0.410487 0.733051 O\n0.294572 0.849391 0.932471 O\n0.098992 0.911941 0.361096 O\n0.803598 0.702887 0.098584 O\n0.371785 0.887764 0.128895 O\n0.410487 0.001327 0.233051 O\n0.241768 0.611251 0.950209 O\n0.112236 0.628215 0.371105 O\n0.998673 0.589513 0.266949 O\n0.901008 0.088059 0.638904 O\n0.787132 0.657965 0.446004 O\n0.088059 0.901008 0.138904 O\n0.432997 0.675825 0.788810 O\n0.150609 0.705428 0.567529 O\n0.702887 0.803598 0.598584 O\n0.589513 0.998673 0.766949 O\n0.212868 0.342035 0.553996 O\n0.342035 0.212868 0.053996 O\n0.567003 0.324175 0.211190 O\n0.324175 0.567003 0.711190 O\n0.887764 0.371785 0.628895 O\n",
"nsites": 48,
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"elements": [
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],
"chemical_system": "Co-O-P",
"density": 3.2944575322122116,
"density_atomic": 0.07734541736933889,
"volume": 620.5926819269846,
"volume_molar": 7.78603434414627,
"formula_full": "Co8 P8 O32",
"formula_reduced": "CoPO4",
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},
{
"id": "mp-1196352",
"created_at": "2022-09-04T14:48:01.944100Z",
"structure_string": "Pr12 In2 Fe26\n1.0\n-4.057909 4.057909 11.894445\n4.057909 -4.057909 11.894445\n4.057909 4.057909 -11.894445\nPr In Fe\n12 2 26\ndirect\n0.604116 0.604116 0.000000 Pr\n0.104116 0.104116 0.000000 Pr\n0.395884 0.395884 0.000000 Pr\n0.895884 0.895884 0.000000 Pr\n0.478897 0.978897 0.826398 Pr\n0.152500 0.652500 0.173602 Pr\n0.978897 0.152500 0.500000 Pr\n0.652500 0.478897 0.500000 Pr\n0.521103 0.021103 0.173602 Pr\n0.847500 0.347500 0.826398 Pr\n0.021103 0.847500 0.500000 Pr\n0.347500 0.521103 0.500000 Pr\n0.250000 0.250000 0.000000 In\n0.750000 0.750000 0.000000 In\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.566770 0.710502 0.277271 Fe\n0.433230 0.289498 0.722729 Fe\n0.066770 0.789498 0.856268 Fe\n0.933230 0.210502 0.143732 Fe\n0.289498 0.566770 0.856268 Fe\n0.710502 0.433230 0.143732 Fe\n0.210502 0.066770 0.277271 Fe\n0.789498 0.933230 0.722729 Fe\n0.621119 0.121119 0.857693 Fe\n0.263426 0.763426 0.142307 Fe\n0.121119 0.263426 0.500000 Fe\n0.763426 0.621119 0.500000 Fe\n0.378881 0.878881 0.142307 Fe\n0.736574 0.236574 0.857693 Fe\n0.878881 0.736574 0.500000 Fe\n0.236574 0.378881 0.500000 Fe\n0.795445 0.295445 0.275481 Fe\n0.019964 0.519964 0.724519 Fe\n0.295445 0.019964 0.500000 Fe\n0.519964 0.795445 0.500000 Fe\n0.204555 0.704555 0.724519 Fe\n0.980036 0.480036 0.275481 Fe\n0.704555 0.980036 0.500000 Fe\n0.480036 0.204555 0.500000 Fe\n",
"nsites": 40,
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"elements": [
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"In",
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],
"chemical_system": "Fe-In-Pr",
"density": 7.148122581145732,
"density_atomic": 0.05105652002888808,
"volume": 783.4454831110261,
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"formula_full": "Pr12 In2 Fe26",
"formula_reduced": "Pr6InFe13",
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"energy": -284.47674202,
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"spacegroup": 140
},
{
"id": "mp-1233192",
"created_at": "2022-09-04T14:48:01.965465Z",
"structure_string": "Mg1 Mn6 P6 O24\n1.0\n8.534074 0.358718 -2.677459\n-3.647082 7.355320 -2.910229\n0.097105 -0.120530 8.829979\nMg Mn P O\n1 6 6 24\ndirect\n0.110846 0.884909 0.750841 Mg\n0.048134 0.449215 0.261049 Mn\n0.235030 0.047482 0.453228 Mn\n0.729498 0.958109 0.543395 Mn\n0.546052 0.764118 0.913483 Mn\n0.482825 0.281989 0.058842 Mn\n0.928543 0.519117 0.760310 Mn\n0.590704 0.396179 0.781073 P\n0.096470 0.264585 0.886013 P\n0.863190 0.077371 0.285995 P\n0.301762 0.891952 0.072694 P\n0.791558 0.580498 0.396512 P\n0.358813 0.784334 0.577089 P\n0.407243 0.295503 0.640946 O\n0.895351 0.636765 0.599718 O\n0.926764 0.592768 0.317669 O\n0.421381 0.794606 0.056522 O\n0.291438 0.321604 0.948200 O\n0.747846 0.971664 0.080632 O\n0.544294 0.901628 0.630288 O\n0.314463 0.967128 0.259198 O\n0.999748 0.059630 0.749301 O\n0.271752 0.642636 0.376647 O\n0.755683 0.078922 0.393168 O\n0.991269 0.997661 0.336038 O\n0.349319 0.686830 0.695149 O\n0.253356 0.902117 0.609077 O\n0.958734 0.274825 0.327263 O\n0.714596 0.713312 0.383560 O\n0.715165 0.337689 0.704164 O\n0.113404 0.765476 0.925344 O\n0.053982 0.378484 0.793722 O\n0.652255 0.385764 0.301055 O\n0.656587 0.602615 0.846338 O\n0.338731 0.037497 0.004147 O\n0.618200 0.356928 0.944963 O\n0.044156 0.295802 0.041219 O\n",
"nsites": 37,
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"elements": [
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],
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"formula_full": "Mg1 Mn6 P6 O24",
"formula_reduced": "MgMn6(PO4)6",
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"energy": -298.63534742,
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},
{
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{
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{
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}