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{
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"results": [
{
"id": "mp-761139",
"created_at": "2022-09-04T14:42:51.640294Z",
"structure_string": "K8 Li4 V4 P4 O24\n1.0\n13.590825 0.000000 0.000000\n0.000000 6.099972 0.000000\n0.000000 3.580998 8.183493\nK Li V P O\n8 4 4 4 24\ndirect\n0.896818 0.695877 0.388818 K\n0.396818 0.304123 0.111182 K\n0.639932 0.616471 0.528550 K\n0.139932 0.383529 0.971450 K\n0.860068 0.616471 0.028550 K\n0.360068 0.383529 0.471450 K\n0.603182 0.695877 0.888818 K\n0.103182 0.304123 0.611182 K\n0.479179 0.164354 0.820189 Li\n0.020821 0.164354 0.320189 Li\n0.979179 0.835646 0.679811 Li\n0.520821 0.835646 0.179811 Li\n0.205933 0.914188 0.435636 V\n0.705933 0.085812 0.064364 V\n0.294067 0.914188 0.935636 V\n0.794067 0.085812 0.564364 V\n0.890150 0.268767 0.795450 P\n0.609850 0.268767 0.295450 P\n0.390150 0.731233 0.704550 P\n0.109850 0.731233 0.204550 P\n0.739801 0.809259 0.204315 O\n0.056148 0.959915 0.193050 O\n0.602257 0.094864 0.945676 O\n0.812168 0.334836 0.650050 O\n0.829772 0.232130 0.953557 O\n0.556148 0.040085 0.306950 O\n0.961652 0.480291 0.761315 O\n0.239801 0.190741 0.295685 O\n0.897743 0.094864 0.445676 O\n0.461652 0.519709 0.738685 O\n0.687832 0.334836 0.150050 O\n0.329772 0.767870 0.546443 O\n0.670228 0.232130 0.453557 O\n0.312168 0.665164 0.849950 O\n0.538348 0.480291 0.261315 O\n0.102257 0.905136 0.554324 O\n0.760199 0.809259 0.704315 O\n0.038348 0.519709 0.238685 O\n0.443852 0.959915 0.693050 O\n0.170228 0.767870 0.046443 O\n0.187832 0.665164 0.349950 O\n0.397743 0.905136 0.054324 O\n0.943852 0.040085 0.806950 O\n0.260199 0.190741 0.795685 O\n",
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],
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"volume": 678.4414554637275,
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"formula_full": "K8 Li4 V4 P4 O24",
"formula_reduced": "K2LiVPO6",
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"updated_at": "2021-11-28T01:35:56.491000Z",
"spacegroup": 14
},
{
"id": "mp-697",
"created_at": "2022-09-04T14:42:52.214332Z",
"structure_string": "Sn4 O8\n1.0\n5.175256 0.000000 0.000000\n0.000000 5.175256 0.000000\n0.000000 0.000000 5.175256\nSn O\n4 8\ndirect\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.338902 0.161098 0.838902 O\n0.161098 0.838902 0.338902 O\n0.838902 0.338902 0.161098 O\n0.661098 0.661098 0.661098 O\n0.338902 0.338902 0.338902 O\n0.161098 0.661098 0.838902 O\n0.838902 0.161098 0.661098 O\n0.661098 0.838902 0.161098 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
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],
"chemical_system": "O-Sn",
"density": 7.221911930701193,
"density_atomic": 0.08657365107684946,
"volume": 138.6103029124632,
"volume_molar": 6.956089624375761,
"formula_full": "Sn4 O8",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy": -79.70511429,
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"band_gap": 0.5857999999999999,
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"updated_at": "2021-11-28T01:35:59.368000Z",
"spacegroup": 205
},
{
"id": "mp-757890",
"created_at": "2022-09-04T14:42:51.159625Z",
"structure_string": "Li12 Si12 Bi12 O48\n1.0\n5.282221 0.000000 0.000000\n0.000000 8.850584 0.000000\n0.000000 0.000000 22.338269\nLi Si Bi O\n12 12 12 48\ndirect\n0.022037 0.579319 0.086767 Li\n0.497636 0.074095 0.081260 Li\n0.990866 0.921645 0.249653 Li\n0.490866 0.421645 0.250347 Li\n0.997636 0.574095 0.418740 Li\n0.522037 0.079319 0.413233 Li\n0.022037 0.920681 0.586767 Li\n0.497636 0.425905 0.581260 Li\n0.990866 0.578355 0.749653 Li\n0.490866 0.078355 0.750347 Li\n0.997636 0.925905 0.918740 Li\n0.522037 0.420681 0.913233 Li\n0.993777 0.918049 0.077424 Si\n0.529241 0.414637 0.091140 Si\n0.994878 0.580525 0.243974 Si\n0.494878 0.080525 0.256026 Si\n0.029241 0.914637 0.408860 Si\n0.493777 0.418049 0.422576 Si\n0.993777 0.581951 0.577424 Si\n0.529241 0.085363 0.591140 Si\n0.994878 0.919475 0.743974 Si\n0.494878 0.419475 0.756026 Si\n0.029241 0.585363 0.908860 Si\n0.493777 0.081951 0.922576 Si\n0.042109 0.219795 0.004574 Bi\n0.542109 0.780205 0.995426 Bi\n0.495647 0.728279 0.165833 Bi\n0.967875 0.282847 0.167284 Bi\n0.467875 0.782847 0.332716 Bi\n0.995647 0.228279 0.334167 Bi\n0.042109 0.280205 0.504574 Bi\n0.542109 0.719795 0.495426 Bi\n0.495647 0.771721 0.665833 Bi\n0.967875 0.217153 0.667284 Bi\n0.467875 0.717153 0.832716 Bi\n0.995647 0.271721 0.834167 Bi\n0.416383 0.062955 0.994219 O\n0.916383 0.937045 0.005781 O\n0.649216 0.574910 0.066501 O\n0.707727 0.265660 0.074121 O\n0.233174 0.390507 0.069802 O\n0.191945 0.776285 0.084494 O\n0.713334 0.894160 0.109645 O\n0.127133 0.077517 0.098987 O\n0.561449 0.416824 0.164784 O\n0.052076 0.551126 0.172496 O\n0.360775 0.925775 0.227443 O\n0.301217 0.226727 0.252219 O\n0.777509 0.106832 0.226543 O\n0.801217 0.726727 0.247781 O\n0.277509 0.606832 0.273457 O\n0.860775 0.425775 0.272557 O\n0.552076 0.051126 0.327504 O\n0.061449 0.916824 0.335216 O\n0.627133 0.577517 0.401013 O\n0.213334 0.394160 0.390355 O\n0.691945 0.276285 0.415506 O\n0.733174 0.890507 0.430198 O\n0.207727 0.765660 0.425879 O\n0.149216 0.074910 0.433499 O\n0.416383 0.437045 0.494219 O\n0.916383 0.562955 0.505781 O\n0.649216 0.925090 0.566501 O\n0.707727 0.234340 0.574121 O\n0.233174 0.109493 0.569802 O\n0.191945 0.723715 0.584494 O\n0.713334 0.605840 0.609645 O\n0.127133 0.422483 0.598987 O\n0.561449 0.083176 0.664784 O\n0.052076 0.948874 0.672496 O\n0.360775 0.574225 0.727443 O\n0.777509 0.393168 0.726543 O\n0.301217 0.273273 0.752219 O\n0.277509 0.893168 0.773457 O\n0.801217 0.773273 0.747781 O\n0.860775 0.074225 0.772557 O\n0.552076 0.448874 0.827504 O\n0.061449 0.583176 0.835216 O\n0.627133 0.922483 0.901013 O\n0.213334 0.105840 0.890355 O\n0.691945 0.223715 0.915506 O\n0.733174 0.609493 0.930198 O\n0.207727 0.734340 0.925879 O\n0.149216 0.425090 0.933499 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Li",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 5.876914777775943,
"density_atomic": 0.08043429763839491,
"volume": 1044.330620970115,
"volume_molar": 7.487030951738382,
"formula_full": "Li12 Si12 Bi12 O48",
"formula_reduced": "LiSiBiO4",
"formula_anonymous": "ABCD4",
"energy": -582.5903656,
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"updated_at": "2021-11-28T01:35:56.985000Z",
"spacegroup": 33
},
{
"id": "mp-743569",
"created_at": "2022-09-04T14:42:51.161023Z",
"structure_string": "Mn4 H24 O12 F12\n1.0\n9.739749 0.000000 0.000000\n0.000000 6.432830 0.000000\n0.000000 1.208868 8.390731\nMn H O F\n4 24 12 12\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.766038 0.324909 0.552303 H\n0.266038 0.175091 0.447697 H\n0.233962 0.675091 0.447697 H\n0.733962 0.824909 0.552303 H\n0.683012 0.289990 0.715025 H\n0.183012 0.210010 0.284975 H\n0.316988 0.710010 0.284975 H\n0.816988 0.789990 0.715025 H\n0.594363 0.608093 0.131575 H\n0.094363 0.891907 0.868425 H\n0.405637 0.391907 0.868425 H\n0.905637 0.108093 0.131575 H\n0.697103 0.688175 0.988085 H\n0.197103 0.811825 0.011915 H\n0.302897 0.311825 0.011915 H\n0.802897 0.188175 0.988085 H\n0.556778 0.208576 0.240493 H\n0.056778 0.291424 0.759507 H\n0.443222 0.791424 0.759507 H\n0.943222 0.708576 0.240493 H\n0.563531 0.957162 0.306145 H\n0.063531 0.542838 0.693855 H\n0.436469 0.042838 0.693855 H\n0.936469 0.457162 0.306145 H\n0.692708 0.383436 0.612654 O\n0.192708 0.116564 0.387346 O\n0.307292 0.616564 0.387346 O\n0.807292 0.883436 0.612654 O\n0.604370 0.705597 0.030691 O\n0.104370 0.794403 0.969309 O\n0.395630 0.294403 0.969309 O\n0.895630 0.205597 0.030691 O\n0.570707 0.066012 0.209966 O\n0.070707 0.433988 0.790034 O\n0.429293 0.933988 0.790034 O\n0.929293 0.566012 0.209966 O\n0.561322 0.440721 0.297360 F\n0.061322 0.059279 0.702640 F\n0.438678 0.559279 0.702640 F\n0.938678 0.940721 0.297360 F\n0.422113 0.226931 0.543092 F\n0.922113 0.273069 0.456908 F\n0.577887 0.773069 0.456908 F\n0.077887 0.726931 0.543092 F\n0.652000 0.140448 0.899686 F\n0.152000 0.359552 0.100314 F\n0.348000 0.859552 0.100314 F\n0.848000 0.640448 0.899686 F\n",
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"elements": [
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],
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"volume": 525.7141149889594,
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"formula_full": "Mn4 H24 O12 F12",
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"energy": -291.23791817999995,
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"spacegroup": 14
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{
"id": "mp-1203148",
"created_at": "2022-09-04T14:42:51.162457Z",
"structure_string": "Al4 P12 O40\n1.0\n8.609650 0.000000 0.000000\n0.000000 7.416581 0.000000\n0.000000 4.810992 11.881513\nAl P O\n4 12 40\ndirect\n0.927025 0.731500 0.792543 Al\n0.427025 0.268500 0.707457 Al\n0.072975 0.268500 0.207457 Al\n0.572975 0.731500 0.292543 Al\n0.095756 0.142314 0.643284 P\n0.595756 0.857686 0.856716 P\n0.904244 0.857686 0.356716 P\n0.404244 0.142314 0.143284 P\n0.108558 0.357175 0.794585 P\n0.608558 0.642825 0.705415 P\n0.891442 0.642825 0.205415 P\n0.391442 0.357175 0.294585 P\n0.886439 0.287540 0.979372 P\n0.386439 0.712460 0.520628 P\n0.113561 0.712460 0.020628 P\n0.613561 0.287540 0.479372 P\n0.078423 0.261159 0.516639 O\n0.578423 0.738841 0.983361 O\n0.921577 0.738841 0.483361 O\n0.421577 0.261159 0.016639 O\n0.004201 0.956047 0.682708 O\n0.504201 0.043953 0.817292 O\n0.995799 0.043953 0.317292 O\n0.495799 0.956047 0.182708 O\n0.271443 0.122569 0.662745 O\n0.771443 0.877431 0.837255 O\n0.728557 0.877431 0.337255 O\n0.228557 0.122569 0.162745 O\n0.025645 0.270954 0.711566 O\n0.525645 0.729046 0.788434 O\n0.974355 0.729046 0.288434 O\n0.474355 0.270954 0.211566 O\n0.068181 0.568895 0.760018 O\n0.568181 0.431105 0.739982 O\n0.931819 0.431105 0.239982 O\n0.431819 0.568895 0.260018 O\n0.278327 0.309095 0.802327 O\n0.778327 0.690905 0.697673 O\n0.721673 0.690905 0.197673 O\n0.221673 0.309095 0.302327 O\n0.032651 0.235065 0.914940 O\n0.532651 0.764935 0.585060 O\n0.967349 0.764935 0.085060 O\n0.467349 0.235065 0.414940 O\n0.849259 0.503147 0.918148 O\n0.349259 0.496853 0.581852 O\n0.150741 0.496853 0.081852 O\n0.650741 0.503147 0.418148 O\n0.934563 0.233188 0.100643 O\n0.434563 0.766812 0.399357 O\n0.065437 0.766812 0.899357 O\n0.565437 0.233188 0.600643 O\n0.743314 0.171940 0.969785 O\n0.243314 0.828060 0.530215 O\n0.256686 0.828060 0.030215 O\n0.756686 0.171940 0.469785 O\n",
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"elements": [
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],
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"volume": 758.684110641078,
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"formula_full": "Al4 P12 O40",
"formula_reduced": "AlP3O10",
"formula_anonymous": "AB3C10",
"energy": -418.00671729,
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"spacegroup": 14
},
{
"id": "mp-1095626",
"created_at": "2022-09-04T14:42:51.167679Z",
"structure_string": "La4 P4 Au2 O2\n1.0\n2.146431 7.743521 0.000000\n-2.146431 7.743521 0.000000\n0.000000 6.623467 7.681191\nLa P Au O\n4 4 2 2\ndirect\n0.867588 0.867588 0.952499 La\n0.132412 0.132412 0.047501 La\n0.826673 0.826673 0.614855 La\n0.173327 0.173327 0.385145 La\n0.453342 0.453342 0.641926 P\n0.546658 0.546658 0.358074 P\n0.852704 0.852704 0.268274 P\n0.147296 0.147296 0.731726 P\n0.588432 0.588432 0.698628 Au\n0.411568 0.411568 0.301372 Au\n0.722608 0.722608 0.925161 O\n0.277392 0.277392 0.074839 O\n",
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"elements": [
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"volume": 255.3371299853965,
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"formula_full": "La4 P4 Au2 O2",
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"spacegroup": 12
},
{
"id": "mp-849351",
"created_at": "2022-09-04T14:42:51.174637Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n6.167681 0.771067 -0.180883\n1.059356 7.194061 -0.470793\n0.872576 2.534581 5.697867\nLi Mn P O\n2 2 4 14\ndirect\n0.333337 0.156136 0.911677 Li\n0.666670 0.843825 0.088336 Li\n0.057041 0.784343 0.729400 Mn\n0.942953 0.215682 0.270573 Mn\n0.181722 0.760032 0.211251 P\n0.390286 0.306713 0.364701 P\n0.609720 0.693293 0.635298 P\n0.818273 0.239965 0.788755 P\n0.991334 0.246240 0.939458 O\n0.057692 0.865556 0.391599 O\n0.242988 0.274554 0.207452 O\n0.270733 0.534982 0.374327 O\n0.357279 0.863129 0.067503 O\n0.384214 0.169243 0.603392 O\n0.375412 0.671013 0.753446 O\n0.624590 0.329003 0.246562 O\n0.615798 0.830741 0.396607 O\n0.642744 0.136836 0.932512 O\n0.729212 0.465012 0.625708 O\n0.757035 0.725459 0.792536 O\n0.942296 0.134471 0.608381 O\n0.008674 0.753771 0.060524 O\n",
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"formula_full": "Li2 Mn2 P4 O14",
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