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{
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"results": [
{
"id": "mp-766388",
"created_at": "2022-09-04T14:41:09.992866Z",
"structure_string": "Li3 Mn6 P6 O24\n1.0\n8.581595 -0.050438 0.395989\n4.242854 7.335441 0.191335\n0.342141 -0.006751 7.318726\nLi Mn P O\n3 6 6 24\ndirect\n0.022408 0.665195 0.934920 Li\n0.663662 0.306099 0.912356 Li\n0.981743 0.347179 0.406801 Li\n0.026554 0.981113 0.256053 Mn\n0.009717 0.985727 0.720961 Mn\n0.349709 0.326236 0.204775 Mn\n0.328389 0.326797 0.780623 Mn\n0.645580 0.687227 0.287287 Mn\n0.670536 0.656404 0.696167 Mn\n0.319852 0.036017 0.498307 P\n0.039578 0.645166 0.501799 P\n0.356459 0.680183 0.001843 P\n0.652721 0.326172 0.490459 P\n0.951804 0.357372 0.010550 P\n0.676466 0.958774 0.981859 P\n0.030796 0.153971 0.046067 O\n0.099865 0.411247 0.978445 O\n0.259521 0.180129 0.337940 O\n0.288417 0.132843 0.678789 O\n0.143122 0.588780 0.674528 O\n0.157024 0.547740 0.324670 O\n0.481668 0.122699 0.012600 O\n0.149631 0.796278 0.994785 O\n0.405351 0.472244 0.008462 O\n0.196156 0.952982 0.498763 O\n0.573250 0.293988 0.328046 O\n0.573705 0.296791 0.676390 O\n0.418710 0.729679 0.166901 O\n0.444279 0.708595 0.817905 O\n0.806373 0.035491 0.939039 O\n0.611700 0.534006 0.493336 O\n0.860794 0.205237 0.480641 O\n0.520784 0.885140 0.466497 O\n0.825091 0.414190 0.852607 O\n0.836694 0.459198 0.190132 O\n0.736934 0.834651 0.153064 O\n0.705868 0.835376 0.817837 O\n0.886057 0.591075 0.521838 O\n0.955685 0.851227 0.477133 O\n",
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"elements": [
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"formula_full": "Li3 Mn6 P6 O24",
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"updated_at": "2021-11-28T01:35:16.698000Z",
"spacegroup": 1
},
{
"id": "mp-510571",
"created_at": "2022-09-04T14:47:01.060385Z",
"structure_string": "Ba4 Np4 P4 H8 O28\n1.0\n7.118515 0.000000 0.000000\n0.000000 6.978767 0.000000\n0.000000 2.821361 13.011097\nBa Np P H O\n4 4 4 8 28\ndirect\n0.447776 0.070673 0.147000 Ba\n0.947776 0.929327 0.353000 Ba\n0.552224 0.929327 0.853000 Ba\n0.052224 0.070673 0.647000 Ba\n0.769322 0.525632 0.178589 Np\n0.269322 0.474368 0.321411 Np\n0.230678 0.474368 0.821411 Np\n0.730678 0.525632 0.678589 Np\n0.783506 0.417559 0.422615 P\n0.283506 0.582441 0.077385 P\n0.216494 0.582441 0.577385 P\n0.716494 0.417559 0.922615 P\n0.962128 0.154154 0.124577 H\n0.462128 0.845846 0.375423 H\n0.037872 0.845846 0.875423 H\n0.537872 0.154154 0.624577 H\n0.066466 0.106776 0.029716 H\n0.566466 0.893224 0.470284 H\n0.933534 0.893224 0.970284 H\n0.433534 0.106776 0.529716 H\n0.104220 0.569030 0.146607 O\n0.604220 0.430970 0.353393 O\n0.895780 0.430970 0.853393 O\n0.395780 0.569030 0.646607 O\n0.435503 0.476736 0.158911 O\n0.935503 0.523264 0.341089 O\n0.564497 0.523264 0.841089 O\n0.064497 0.476736 0.658911 O\n0.344535 0.792350 0.031007 O\n0.844535 0.207650 0.468993 O\n0.655465 0.207650 0.968993 O\n0.155465 0.792350 0.531007 O\n0.704063 0.249082 0.695537 O\n0.204063 0.750918 0.804463 O\n0.295937 0.750918 0.304463 O\n0.795937 0.249082 0.195537 O\n0.739709 0.547699 0.002362 O\n0.239709 0.452301 0.497638 O\n0.260291 0.452301 0.997638 O\n0.760291 0.547699 0.502362 O\n0.732260 0.794222 0.171833 O\n0.232260 0.205778 0.328167 O\n0.267740 0.205778 0.828167 O\n0.767740 0.794222 0.671833 O\n0.066660 0.075239 0.104642 O\n0.566660 0.924761 0.395358 O\n0.933340 0.924761 0.895358 O\n0.433340 0.075239 0.604642 O\n",
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"elements": [
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],
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"density": 5.3364912133022715,
"density_atomic": 0.07426073091185138,
"volume": 646.3712302667304,
"volume_molar": 8.1094552747513,
"formula_full": "Ba4 Np4 P4 H8 O28",
"formula_reduced": "BaNpPH2O7",
"formula_anonymous": "ABCD2E7",
"energy": -380.85149686,
"energy_per_atom": -7.934406184583334,
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"updated_at": "2021-11-28T01:37:47.163000Z",
"spacegroup": 14
},
{
"id": "mp-1519691",
"created_at": "2022-09-04T14:48:17.455317Z",
"structure_string": "Ba1 Na1 La1 W1 O6\n1.0\n-0.000000 -4.323739 -4.323739\n4.323739 0.000000 -4.323739\n4.323739 -4.323739 -0.000000\nBa Na La W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n-0.000000 -0.000000 0.000000 La\n0.500000 0.500000 0.500000 W\n0.726236 0.273764 0.273764 O\n0.273764 0.726236 0.726236 O\n0.726236 0.273764 0.726236 O\n0.273764 0.726236 0.273764 O\n0.726236 0.726236 0.273764 O\n0.273764 0.273764 0.726236 O\n",
"nsites": 10,
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"elements": [
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"La",
"W",
"O"
],
"chemical_system": "Ba-La-Na-O-W",
"density": 5.947894228504569,
"density_atomic": 0.061857390344027575,
"volume": 161.66217075087965,
"volume_molar": 9.73552347828952,
"formula_full": "Ba1 Na1 La1 W1 O6",
"formula_reduced": "BaNaLaWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.34409978000001,
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"updated_at": "2021-11-28T01:39:01.304000Z",
"spacegroup": 216
},
{
"id": "mp-1193468",
"created_at": "2022-09-04T14:43:06.090489Z",
"structure_string": "Na4 Mn4 V4 O16\n1.0\n0.000230 0.000355 -5.383004\n-0.000064 -6.954611 0.000461\n-9.712214 -0.000086 0.000414\nNa Mn V O\n4 4 4 16\ndirect\n0.014428 0.249875 0.351913 Na\n0.485609 0.250084 0.851952 Na\n0.985714 0.750024 0.648057 Na\n0.514264 0.749898 0.148072 Na\n0.499990 0.499955 0.500101 Mn\n0.999761 0.500210 0.999901 Mn\n0.999895 0.000100 0.000091 Mn\n0.500285 0.999924 0.499954 Mn\n0.020580 0.749956 0.319919 V\n0.479239 0.750070 0.819949 V\n0.979384 0.250050 0.680109 V\n0.520706 0.249949 0.180049 V\n0.061390 0.750041 0.137198 O\n0.438622 0.749959 0.637240 O\n0.938536 0.250131 0.862779 O\n0.561451 0.249935 0.362731 O\n0.709673 0.749876 0.377878 O\n0.790271 0.750038 0.877852 O\n0.290339 0.250116 0.622190 O\n0.209731 0.249907 0.122151 O\n0.174862 0.552704 0.385112 O\n0.325033 0.947312 0.885177 O\n0.825258 0.052784 0.614812 O\n0.674835 0.447256 0.114784 O\n0.825287 0.447258 0.614842 O\n0.674766 0.052710 0.114822 O\n0.174902 0.947035 0.385199 O\n0.325189 0.552843 0.885167 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"V",
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],
"chemical_system": "Mn-Na-O-V",
"density": 3.5233114475925826,
"density_atomic": 0.07700913500734233,
"volume": 363.593228223254,
"volume_molar": 7.820034284797287,
"formula_full": "Na4 Mn4 V4 O16",
"formula_reduced": "NaMnVO4",
"formula_anonymous": "ABCD4",
"energy": -222.16500087,
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"updated_at": "2021-11-28T01:35:59.019000Z",
"spacegroup": 62
},
{
"id": "mp-1516529",
"created_at": "2022-09-04T14:43:56.118488Z",
"structure_string": "Ba1 Na1 Sm1 W1 O6\n1.0\n0.000000 -4.258718 -4.258718\n4.258718 -0.000000 -4.258718\n4.258718 -4.258718 -0.000000\nBa Na Sm W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n-0.000000 -0.000000 -0.000000 Sm\n0.500000 0.500000 0.500000 W\n0.729571 0.270429 0.270429 O\n0.270429 0.729571 0.729571 O\n0.729571 0.270429 0.729571 O\n0.270429 0.729571 0.270429 O\n0.729571 0.729571 0.270429 O\n0.270429 0.270429 0.729571 O\n",
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"elements": [
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"O"
],
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"density": 6.347636362552537,
"density_atomic": 0.06473413578295731,
"volume": 154.47800266505945,
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"formula_full": "Ba1 Na1 Sm1 W1 O6",
"formula_reduced": "BaNaSmWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.34494208,
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"spacegroup": 216
},
{
"id": "mp-756653",
"created_at": "2022-09-04T14:44:42.724672Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n9.334967 0.013508 0.183318\n0.946411 5.547462 -0.164538\n-1.685987 -1.327854 6.023786\nLi V Si O\n4 4 4 16\ndirect\n0.137841 0.196385 0.383372 Li\n0.220602 0.698239 0.431761 Li\n0.779423 0.301890 0.568103 Li\n0.862071 0.803850 0.616667 Li\n0.206157 0.707450 0.928888 V\n0.425525 0.215161 0.165243 V\n0.574450 0.784829 0.834657 V\n0.793706 0.292550 0.071291 V\n0.095433 0.164683 0.827840 Si\n0.462418 0.322281 0.709480 Si\n0.537618 0.677701 0.290451 Si\n0.904604 0.835250 0.172085 Si\n0.146860 0.364342 0.726505 O\n0.100706 0.868673 0.676107 O\n0.075957 0.753569 0.142395 O\n0.212641 0.115766 0.059691 O\n0.446536 0.126038 0.846500 O\n0.385651 0.617140 0.777624 O\n0.387758 0.221060 0.451408 O\n0.360936 0.613405 0.217516 O\n0.639083 0.386605 0.782491 O\n0.612302 0.778917 0.548703 O\n0.614363 0.382798 0.222429 O\n0.553490 0.873950 0.153600 O\n0.787348 0.884216 0.940298 O\n0.924029 0.246355 0.857562 O\n0.899343 0.131309 0.323867 O\n0.853149 0.635588 0.273467 O\n",
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"formula_full": "Li4 V4 Si4 O16",
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"spacegroup": 2
},
{
"id": "mp-1211814",
"created_at": "2022-09-04T14:42:53.636183Z",
"structure_string": "K8 Nb8 P8 O40\n1.0\n6.619106 0.000000 0.000000\n0.000000 11.221340 0.000000\n0.000000 0.000000 13.366355\nK Nb P O\n8 8 8 40\ndirect\n0.188561 0.589432 0.102431 K\n0.811439 0.089432 0.897569 K\n0.311439 0.589432 0.602431 K\n0.688561 0.089432 0.397569 K\n0.772512 0.325869 0.124486 K\n0.227488 0.825869 0.875514 K\n0.727488 0.325869 0.624486 K\n0.272512 0.825869 0.375514 K\n0.249304 0.273291 0.253346 Nb\n0.750696 0.773291 0.746654 Nb\n0.250696 0.273291 0.753346 Nb\n0.749304 0.773291 0.246654 Nb\n0.497711 0.025772 0.127761 Nb\n0.502289 0.525772 0.872239 Nb\n0.002289 0.025772 0.627761 Nb\n0.997711 0.525772 0.372239 Nb\n0.002342 0.024857 0.179915 P\n0.997658 0.524857 0.820085 P\n0.497658 0.024857 0.679915 P\n0.502342 0.524857 0.320085 P\n0.339168 0.277250 0.001416 P\n0.660832 0.777250 0.998584 P\n0.160832 0.277250 0.501416 P\n0.839168 0.777250 0.498584 P\n0.185970 0.006231 0.109080 O\n0.814030 0.506231 0.890920 O\n0.314030 0.006231 0.609080 O\n0.685970 0.506231 0.390920 O\n0.198547 0.293669 0.094352 O\n0.801453 0.793669 0.905648 O\n0.301453 0.293669 0.594352 O\n0.698547 0.793669 0.405648 O\n0.032088 0.393092 0.489148 O\n0.967912 0.893092 0.510852 O\n0.467912 0.393092 0.989148 O\n0.532088 0.893092 0.010852 O\n0.032616 0.132074 0.251980 O\n0.967384 0.632074 0.748020 O\n0.467384 0.132074 0.751980 O\n0.532616 0.632074 0.248020 O\n0.488723 0.171166 0.016098 O\n0.511277 0.671166 0.983902 O\n0.011277 0.171166 0.516098 O\n0.988723 0.671166 0.483902 O\n0.315462 0.551369 0.387956 O\n0.684538 0.051369 0.612044 O\n0.184538 0.551369 0.887956 O\n0.815462 0.051369 0.112044 O\n0.044330 0.400567 0.276286 O\n0.955670 0.900567 0.723714 O\n0.455670 0.400567 0.776286 O\n0.544330 0.900567 0.223714 O\n0.299022 0.255113 0.409154 O\n0.700978 0.755113 0.590846 O\n0.200978 0.255113 0.909154 O\n0.799022 0.755113 0.090846 O\n0.470248 0.412885 0.253776 O\n0.529752 0.912885 0.746224 O\n0.029752 0.412885 0.753776 O\n0.970248 0.912885 0.246224 O\n0.459055 0.149961 0.224511 O\n0.540945 0.649961 0.775489 O\n0.040945 0.149961 0.724511 O\n0.959055 0.649961 0.275489 O\n",
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"formula_full": "K8 Nb8 P8 O40",
"formula_reduced": "KNbPO5",
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},
{
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