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{
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"results": [
{
"id": "mp-696088",
"created_at": "2022-09-04T14:44:57.239938Z",
"structure_string": "Sb4 H40 Cl24 O18\n1.0\n6.071612 10.295554 0.000000\n-6.071612 10.295554 0.000000\n0.000000 7.348751 10.285835\nSb H Cl O\n4 40 24 18\ndirect\n0.350761 0.855331 0.936615 Sb\n0.649239 0.144669 0.063385 Sb\n0.855331 0.350761 0.436615 Sb\n0.144669 0.649239 0.563385 Sb\n0.154140 0.493248 0.330803 H\n0.845860 0.506752 0.669197 H\n0.493248 0.154140 0.830803 H\n0.506752 0.845860 0.169197 H\n0.294668 0.502313 0.222258 H\n0.705332 0.497687 0.777742 H\n0.502313 0.294668 0.722258 H\n0.497687 0.705332 0.277742 H\n0.291150 0.298287 0.391744 H\n0.708850 0.701713 0.608256 H\n0.298287 0.291150 0.891744 H\n0.701713 0.708850 0.108256 H\n0.291522 0.124554 0.499620 H\n0.708478 0.875446 0.500380 H\n0.124554 0.291522 0.999620 H\n0.875446 0.708478 0.000380 H\n0.383513 0.217852 0.488950 H\n0.616487 0.782148 0.511050 H\n0.217852 0.383513 0.988950 H\n0.782148 0.616487 0.011050 H\n0.342348 0.941322 0.501645 H\n0.657652 0.058678 0.498355 H\n0.941322 0.342348 0.001645 H\n0.058678 0.657652 0.998355 H\n0.199726 0.988205 0.614470 H\n0.800274 0.011795 0.385530 H\n0.988205 0.199726 0.114470 H\n0.011795 0.800274 0.885530 H\n0.527338 0.803801 0.379704 H\n0.472662 0.196199 0.620296 H\n0.803801 0.527338 0.879704 H\n0.196199 0.472662 0.120296 H\n0.464431 0.721219 0.525388 H\n0.535569 0.278781 0.474612 H\n0.721219 0.464431 0.025388 H\n0.278781 0.535569 0.974612 H\n0.009417 0.016805 0.796930 H\n0.990583 0.983195 0.203070 H\n0.016805 0.009417 0.296930 H\n0.983195 0.990583 0.703070 H\n0.382016 0.736273 0.809063 Cl\n0.617984 0.263727 0.190937 Cl\n0.736273 0.382016 0.309063 Cl\n0.263727 0.617984 0.690937 Cl\n0.572134 0.881682 0.803479 Cl\n0.427866 0.118318 0.196521 Cl\n0.881682 0.572134 0.303479 Cl\n0.118318 0.427866 0.696521 Cl\n0.452313 0.636450 0.078803 Cl\n0.547687 0.363550 0.921197 Cl\n0.636450 0.452313 0.578803 Cl\n0.363550 0.547687 0.421197 Cl\n0.321270 0.967793 0.066968 Cl\n0.678730 0.032207 0.933032 Cl\n0.967793 0.321270 0.566968 Cl\n0.032207 0.678730 0.433032 Cl\n0.130572 0.823627 0.072540 Cl\n0.869428 0.176373 0.927460 Cl\n0.823627 0.130572 0.572540 Cl\n0.176373 0.869428 0.427460 Cl\n0.247740 0.067883 0.796916 Cl\n0.752260 0.932117 0.203084 Cl\n0.067883 0.247740 0.296916 Cl\n0.932117 0.752260 0.703084 Cl\n0.235020 0.445047 0.273271 O\n0.764980 0.554953 0.726729 O\n0.445047 0.235020 0.773271 O\n0.554953 0.764980 0.226729 O\n0.304068 0.225235 0.475193 O\n0.695932 0.774765 0.524807 O\n0.225235 0.304068 0.975193 O\n0.774765 0.695932 0.024807 O\n0.265912 0.019580 0.526725 O\n0.734088 0.980420 0.473275 O\n0.019580 0.265912 0.026725 O\n0.980420 0.734088 0.973275 O\n0.491601 0.803749 0.469315 O\n0.508399 0.196251 0.530685 O\n0.803749 0.491601 0.969315 O\n0.196251 0.508399 0.030685 O\n0.045354 0.954646 0.750000 O\n0.954646 0.045354 0.250000 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
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"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sb",
"density": 2.1515817275688476,
"density_atomic": 0.06687675172735717,
"volume": 1285.947624229783,
"volume_molar": 9.004834422208535,
"formula_full": "Sb4 H40 Cl24 O18",
"formula_reduced": "Sb2H20(Cl4O3)3",
"formula_anonymous": "A2B9C12D20",
"energy": -391.22183652,
"energy_per_atom": -4.549091122325581,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -364.1198365199999,
"band_gap": 1.6880000000000002,
"is_gap_direct": false,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.626000Z",
"spacegroup": 15
},
{
"id": "mp-775199",
"created_at": "2022-09-04T14:44:58.710788Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n0.000012 0.000182 4.999373\n6.276529 0.000028 0.000015\n0.000049 10.795463 0.000392\nLi Mn V O\n4 4 4 16\ndirect\n0.999998 0.000009 0.000003 Li\n0.500005 0.000002 0.500000 Li\n0.999998 0.499993 0.000003 Li\n0.500004 0.500000 0.500001 Li\n0.515456 0.250010 0.773308 Mn\n0.484499 0.749976 0.226694 Mn\n0.984619 0.250002 0.273280 Mn\n0.015395 0.750005 0.726721 Mn\n0.075246 0.250002 0.590951 V\n0.924755 0.750002 0.409046 V\n0.424744 0.249995 0.090874 V\n0.575262 0.750002 0.909124 V\n0.211662 0.250002 0.442787 O\n0.288326 0.250000 0.942709 O\n0.788343 0.750001 0.557212 O\n0.711665 0.749998 0.057298 O\n0.773120 0.250001 0.094116 O\n0.726858 0.250002 0.594152 O\n0.273143 0.750000 0.405850 O\n0.226880 0.750000 0.905882 O\n0.277276 0.030051 0.164901 O\n0.222738 0.030064 0.664958 O\n0.277265 0.469939 0.164898 O\n0.222735 0.469939 0.664959 O\n0.722739 0.530048 0.835096 O\n0.777266 0.530062 0.335040 O\n0.777267 0.969940 0.335040 O\n0.722735 0.969959 0.835097 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.4670456982766606,
"density_atomic": 0.08265738822513335,
"volume": 338.74769819409966,
"volume_molar": 7.28566543089595,
"formula_full": "Li4 Mn4 V4 O16",
"formula_reduced": "LiMnVO4",
"formula_anonymous": "ABCD4",
"energy": -225.86916156,
"energy_per_atom": -8.06675577,
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"band_gap": 1.9391,
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"updated_at": "2021-11-28T01:36:50.930000Z",
"spacegroup": 62
},
{
"id": "mp-756945",
"created_at": "2022-09-04T14:44:57.264264Z",
"structure_string": "Mn6 O4 F4\n1.0\n-2.806211 0.000042 5.175540\n6.159909 -0.000188 0.040824\n-0.000180 5.930854 -0.000051\nMn O F\n6 4 4\ndirect\n0.999996 0.999997 0.999999 Mn\n0.776331 0.657399 0.565195 Mn\n0.223669 0.342605 0.434802 Mn\n0.499998 0.999998 0.499999 Mn\n0.723633 0.342600 0.065161 Mn\n0.276375 0.657404 0.934851 Mn\n0.577813 0.337828 0.379039 O\n0.922188 0.662173 0.879054 O\n0.077813 0.337826 0.120948 O\n0.422186 0.662170 0.620955 O\n0.903977 0.112812 0.652021 F\n0.403983 0.112809 0.847978 F\n0.596018 0.887193 0.152020 F\n0.096019 0.887188 0.347978 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.1095115652770415,
"density_atomic": 0.07377734787901381,
"volume": 189.7601418657439,
"volume_molar": 8.162587749664848,
"formula_full": "Mn6 O4 F4",
"formula_reduced": "Mn3(OF)2",
"formula_anonymous": "A2B2C3",
"energy": -115.37696617999998,
"energy_per_atom": -8.241211869999999,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:44.086000Z",
"spacegroup": 14
},
{
"id": "mp-1034041",
"created_at": "2022-09-04T14:44:31.637423Z",
"structure_string": "K1 Li1 Mg14 O15\n1.0\n8.470596 0.000000 0.000000\n0.000000 8.733010 0.000000\n0.000000 0.000000 4.369802\nK Li Mg O\n1 1 14 15\ndirect\n0.062094 0.000000 0.000000 K\n0.985269 0.500000 0.000000 Li\n0.521957 0.000000 0.000000 Mg\n0.502954 0.500000 0.000000 Mg\n0.995344 0.262062 0.500000 Mg\n0.995344 0.737938 0.500000 Mg\n0.497391 0.247645 0.500000 Mg\n0.497391 0.752355 0.500000 Mg\n0.245862 0.000000 0.500000 Mg\n0.241897 0.500000 0.500000 Mg\n0.767413 0.000000 0.500000 Mg\n0.753376 0.500000 0.500000 Mg\n0.239065 0.283181 0.000000 Mg\n0.239065 0.716819 -0.000000 Mg\n0.762580 0.251241 -0.000000 Mg\n0.762580 0.748759 0.000000 Mg\n0.266255 0.500000 0.000000 O\n0.748342 0.000000 0.000000 O\n0.735625 0.500000 0.000000 O\n0.245746 0.239087 0.500000 O\n0.245746 0.760913 0.500000 O\n0.744985 0.248174 0.500000 O\n0.744985 0.751826 0.500000 O\n0.002742 0.000000 0.500000 O\n0.001219 0.500000 0.500000 O\n0.483427 0.000000 0.500000 O\n0.493456 0.500000 0.500000 O\n0.002580 0.270247 0.000000 O\n0.002580 0.729753 0.000000 O\n0.481365 0.234609 0.000000 O\n0.481365 0.765391 0.000000 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
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"Li",
"Mg",
"O"
],
"chemical_system": "K-Li-Mg-O",
"density": 3.217303502848298,
"density_atomic": 0.09590075106513003,
"volume": 323.25085732588957,
"volume_molar": 6.279555366474788,
"formula_full": "K1 Li1 Mg14 O15",
"formula_reduced": "KLiMg14O15",
"formula_anonymous": "ABC14D15",
"energy": -184.22498812,
"energy_per_atom": -5.942741552258065,
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"updated_at": "2021-11-28T01:36:40.919000Z",
"spacegroup": 25
},
{
"id": "mp-795",
"created_at": "2022-09-04T14:46:01.528029Z",
"structure_string": "Li8 Si8\n1.0\n-4.663579 4.663579 2.870355\n4.663579 -4.663579 2.870355\n4.663579 4.663579 -2.870355\nLi Si\n8 8\ndirect\n0.489702 0.206193 0.554552 Li\n0.456193 0.401640 0.216491 Li\n0.185149 0.239702 0.783509 Li\n0.651640 0.935149 0.445448 Li\n0.760298 0.543807 0.945448 Li\n0.793807 0.348360 0.283509 Li\n0.064851 0.510298 0.716491 Li\n0.598360 0.814851 0.054552 Li\n0.919697 0.733036 0.591978 Si\n0.983036 0.891058 0.313339 Si\n0.577719 0.669697 0.686661 Si\n0.141058 0.327719 0.408022 Si\n0.330303 0.016964 0.908022 Si\n0.266964 0.858942 0.186661 Si\n0.672281 0.080303 0.813339 Si\n0.108942 0.422281 0.091978 Si\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-Si",
"density": 1.8633805037850073,
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"volume": 249.70904868059344,
"volume_molar": 9.398644001251414,
"formula_full": "Li8 Si8",
"formula_reduced": "LiSi",
"formula_anonymous": "AB",
"energy": -61.26709151,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:16.597000Z",
"spacegroup": 88
},
{
"id": "mp-1102486",
"created_at": "2022-09-04T14:45:12.721833Z",
"structure_string": "Sm2 P2 O8\n1.0\n-3.561018 3.561018 3.078482\n3.561018 -3.561018 3.078482\n3.561018 3.561018 -3.078482\nSm P O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 P\n0.750000 0.250000 0.500000 P\n0.485966 0.656955 0.829011 O\n0.906955 0.235966 0.329011 O\n0.906955 0.577944 0.670989 O\n0.827944 0.656955 0.170989 O\n0.764034 0.093045 0.670989 O\n0.343045 0.514034 0.170989 O\n0.343045 0.172056 0.829011 O\n0.422056 0.093045 0.329011 O\n",
"nsites": 12,
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"P",
"O"
],
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"density": 5.21779743888425,
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"volume": 156.15106398239158,
"volume_molar": 7.836364059381068,
"formula_full": "Sm2 P2 O8",
"formula_reduced": "SmPO4",
"formula_anonymous": "ABC4",
"energy": -101.48138016,
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"updated_at": "2021-11-28T01:36:55.524000Z",
"spacegroup": 141
},
{
"id": "mp-1111657",
"created_at": "2022-09-04T14:45:12.596928Z",
"structure_string": "K2 Li1 Tm1 Cl6\n1.0\n0.000000 5.160411 5.160411\n5.160411 0.000000 5.160411\n5.160411 5.160411 0.000000\nK Li Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tm\n0.748960 0.251040 0.251040 Cl\n0.251040 0.251040 0.748960 Cl\n0.251040 0.748960 0.748960 Cl\n0.251040 0.748960 0.251040 Cl\n0.748960 0.251040 0.748960 Cl\n0.748960 0.748960 0.251040 Cl\n",
"nsites": 10,
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"elements": [
"K",
"Li",
"Tm",
"Cl"
],
"chemical_system": "Cl-K-Li-Tm",
"density": 2.8202498949429247,
"density_atomic": 0.03638456000483556,
"volume": 274.841855959533,
"volume_molar": 16.551363433279526,
"formula_full": "K2 Li1 Tm1 Cl6",
"formula_reduced": "K2LiTmCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.09551393999999,
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"updated_at": "2021-11-28T01:36:56.472000Z",
"spacegroup": 225
},
{
"id": "mp-1275545",
"created_at": "2022-09-04T14:44:42.460743Z",
"structure_string": "Mg4 Mn2 W2 O12\n1.0\n5.260828 -0.048050 0.036156\n0.030543 5.634425 -0.275968\n-0.050884 -0.358950 7.686347\nMg Mn W O\n4 2 2 12\ndirect\n0.500293 0.068676 0.707077 Mg\n0.000311 0.568681 0.207058 Mg\n0.001311 0.574624 0.705474 Mg\n0.501360 0.074627 0.205480 Mg\n0.999280 0.003905 0.491823 Mn\n0.499525 0.503968 0.991858 Mn\n0.500688 0.476323 0.503980 W\n0.000740 0.976342 0.003976 W\n0.350783 0.435941 0.738408 O\n0.850790 0.935948 0.238401 O\n0.142037 0.942418 0.771725 O\n0.642037 0.442426 0.271728 O\n0.179715 0.262233 0.089095 O\n0.679717 0.762205 0.589102 O\n0.183575 0.618942 0.448758 O\n0.683561 0.118958 0.948749 O\n0.288219 0.797086 0.100312 O\n0.788229 0.297057 0.600321 O\n0.362501 0.145186 0.450846 O\n0.862527 0.645187 0.950828 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Mg-Mn-O-W",
"density": 5.600735726625084,
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"volume": 227.33614993574398,
"volume_molar": 6.845251473747576,
"formula_full": "Mg4 Mn2 W2 O12",
"formula_reduced": "Mg2MnWO6",
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"energy": -161.10899638,
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"spacegroup": 146
},
{
"id": "mp-1234366",
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"formula_full": "Mg1 H32 N8 O4",
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"updated_at": "2021-11-28T01:36:45.824000Z",
"spacegroup": 1
},
{
"id": "mp-779589",
"created_at": "2022-09-04T14:45:30.858005Z",
"structure_string": "Na12 Sb20 O56\n1.0\n7.267470 0.000000 0.000000\n0.000000 7.589262 0.000000\n0.000000 0.000000 24.033403\nNa Sb O\n12 20 56\ndirect\n0.229333 0.867824 0.023802 Na\n0.579654 0.121299 0.132705 Na\n0.714373 0.548322 0.201360 Na\n0.214373 0.548322 0.298640 Na\n0.079654 0.121299 0.367295 Na\n0.729333 0.867824 0.476198 Na\n0.270667 0.867824 0.523802 Na\n0.920346 0.121299 0.632705 Na\n0.785627 0.548322 0.701360 Na\n0.285627 0.548322 0.798640 Na\n0.420346 0.121299 0.867295 Na\n0.770667 0.867824 0.976198 Na\n0.417780 0.483334 0.058593 Sb\n0.902504 0.483609 0.063177 Sb\n0.099411 0.215767 0.144049 Sb\n0.106505 0.750630 0.145013 Sb\n0.810375 0.983631 0.242518 Sb\n0.310375 0.983631 0.257482 Sb\n0.606505 0.750630 0.354987 Sb\n0.599411 0.215767 0.355951 Sb\n0.402504 0.483609 0.436823 Sb\n0.917780 0.483334 0.441407 Sb\n0.082220 0.483334 0.558593 Sb\n0.597496 0.483609 0.563177 Sb\n0.400589 0.215767 0.644049 Sb\n0.393495 0.750630 0.645013 Sb\n0.689625 0.983631 0.742518 Sb\n0.189625 0.983631 0.757482 Sb\n0.893495 0.750630 0.854987 Sb\n0.900589 0.215767 0.855951 Sb\n0.097496 0.483609 0.936823 Sb\n0.582220 0.483334 0.941407 Sb\n0.500000 0.661449 0.000000 O\n0.500000 0.311860 0.000000 O\n0.162222 0.488787 0.018067 O\n0.951250 0.232493 0.072518 O\n0.951642 0.736506 0.071255 O\n0.658950 0.474511 0.098872 O\n0.332747 0.685068 0.102002 O\n0.335134 0.294720 0.107840 O\n0.180208 0.983768 0.117702 O\n0.020513 0.486294 0.144803 O\n0.861242 0.165235 0.182226 O\n0.871199 0.804871 0.182791 O\n0.245352 0.754830 0.215158 O\n0.240999 0.202973 0.213298 O\n0.548005 0.980910 0.215807 O\n0.048005 0.980910 0.284193 O\n0.740999 0.202973 0.286702 O\n0.745352 0.754830 0.284842 O\n0.371199 0.804871 0.317209 O\n0.361242 0.165235 0.317774 O\n0.520513 0.486294 0.355197 O\n0.680208 0.983768 0.382298 O\n0.835134 0.294720 0.392160 O\n0.832747 0.685068 0.397998 O\n0.158950 0.474511 0.401128 O\n0.451642 0.736506 0.428745 O\n0.451250 0.232493 0.427482 O\n0.662222 0.488787 0.481933 O\n0.000000 0.661449 0.500000 O\n0.000000 0.311860 0.500000 O\n0.337778 0.488787 0.518067 O\n0.548750 0.232493 0.572518 O\n0.548358 0.736506 0.571255 O\n0.841050 0.474511 0.598872 O\n0.167253 0.685068 0.602002 O\n0.164866 0.294720 0.607840 O\n0.319792 0.983768 0.617702 O\n0.479487 0.486294 0.644803 O\n0.638758 0.165235 0.682226 O\n0.628801 0.804871 0.682791 O\n0.254648 0.754830 0.715158 O\n0.259001 0.202973 0.713298 O\n0.951995 0.980910 0.715807 O\n0.451995 0.980910 0.784193 O\n0.759001 0.202973 0.786702 O\n0.754648 0.754830 0.784842 O\n0.128801 0.804871 0.817209 O\n0.138758 0.165235 0.817774 O\n0.979487 0.486294 0.855197 O\n0.819792 0.983768 0.882298 O\n0.664866 0.294720 0.892160 O\n0.667253 0.685068 0.897998 O\n0.341050 0.474511 0.901128 O\n0.048358 0.736506 0.928745 O\n0.048750 0.232493 0.927482 O\n0.837778 0.488787 0.981933 O\n",
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"elements": [
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],
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"density": 4.518584731777654,
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"volume": 1325.5559473480603,
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"formula_full": "Na12 Sb20 O56",
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"spacegroup": 32
},
{
"id": "mp-1234960",
"created_at": "2022-09-04T14:44:56.742995Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.445280 0.532483 -1.229975\n-0.788405 7.466887 -2.470403\n-0.103541 0.192691 9.734492\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.123021 0.744500 0.983195 Sr\n0.876979 0.255500 0.016805 Sr\n0.000000 0.000000 0.500000 Mg\n0.030280 0.435111 0.603006 Zn\n0.969720 0.564889 0.396994 Zn\n0.592223 0.819313 0.574669 Sn\n0.407777 0.180687 0.425331 Sn\n0.405644 0.473765 0.240573 P\n0.594356 0.526235 0.759427 P\n0.738005 0.934946 0.229204 P\n0.261995 0.065054 0.770796 P\n0.769958 0.496911 0.894557 O\n0.676602 0.455983 0.228067 O\n0.691153 0.704576 0.746900 O\n0.086031 0.189084 0.691762 O\n0.323398 0.544017 0.771933 O\n0.242232 0.885501 0.630644 O\n0.757768 0.114499 0.369356 O\n0.152332 0.025218 0.887738 O\n0.308847 0.295424 0.253100 O\n0.847668 0.974782 0.112262 O\n0.230042 0.503088 0.105443 O\n0.371372 0.616534 0.387614 O\n0.628628 0.383466 0.612386 O\n0.469897 0.881732 0.185626 O\n0.913969 0.810916 0.308238 O\n0.530103 0.118268 0.814374 O\n",
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"elements": [
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],
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"density": 3.9160052186416463,
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"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
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},
{
"id": "mp-560864",
"created_at": "2022-09-04T14:47:19.593816Z",
"structure_string": "Sr4 Zn4 Ni4 P8 O32\n1.0\n-1.461634 6.347322 -2.431233\n-0.040486 -0.044489 9.363196\n10.742495 -0.067481 -2.189010\nSr Zn Ni P O\n4 4 4 8 32\ndirect\n0.798980 0.051165 0.124329 Sr\n0.798980 0.051165 0.624329 Sr\n0.201020 0.948835 0.375671 Sr\n0.201020 0.948835 0.875671 Sr\n0.384141 0.647233 0.494910 Zn\n0.384141 0.647233 0.994910 Zn\n0.615859 0.352767 0.005090 Zn\n0.615859 0.352767 0.505090 Zn\n0.852706 0.560593 0.819215 Ni\n0.147294 0.439407 0.680785 Ni\n0.852706 0.560593 0.319215 Ni\n0.147294 0.439407 0.180785 Ni\n0.424390 0.236578 0.197888 P\n0.424390 0.236578 0.697888 P\n0.575610 0.763422 0.302112 P\n0.575610 0.763422 0.802112 P\n0.024026 0.302393 0.421445 P\n0.024026 0.302393 0.921445 P\n0.975974 0.697607 0.078555 P\n0.975974 0.697607 0.578555 P\n0.554331 0.892192 0.406126 O\n0.554331 0.892192 0.906126 O\n0.445669 0.107808 0.093874 O\n0.445669 0.107808 0.593874 O\n0.474706 0.209228 0.332441 O\n0.474706 0.209228 0.832441 O\n0.525294 0.790772 0.167559 O\n0.525294 0.790772 0.667559 O\n0.798342 0.761866 0.329453 O\n0.798342 0.761866 0.829453 O\n0.201658 0.238134 0.170547 O\n0.201658 0.238134 0.670547 O\n0.115399 0.695599 0.476301 O\n0.115399 0.695599 0.976301 O\n0.884601 0.304401 0.023699 O\n0.884601 0.304401 0.523699 O\n0.748203 0.578151 0.497932 O\n0.748203 0.578151 0.997932 O\n0.251797 0.421849 0.002068 O\n0.251797 0.421849 0.502068 O\n0.996779 0.867123 0.131028 O\n0.996779 0.867123 0.631028 O\n0.003221 0.132877 0.368972 O\n0.003221 0.132877 0.868972 O\n0.591571 0.398301 0.188688 O\n0.591571 0.398301 0.688688 O\n0.408429 0.601699 0.311312 O\n0.408429 0.601699 0.811312 O\n0.953816 0.368921 0.310622 O\n0.953816 0.368921 0.810622 O\n0.046184 0.631079 0.189378 O\n0.046184 0.631079 0.689378 O\n",
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],
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"formula_full": "Sr4 Zn4 Ni4 P8 O32",
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}
]
}