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{
"id": "mp-1096052",
"created_at": "2022-09-04T14:48:20.565974Z",
"structure_string": "Li1 Al2 Ru1\n1.0\n-5.109272 5.142555 7.092815\n5.109272 -5.142555 7.092815\n5.109272 5.142555 -7.092815\nLi Al Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.729359 0.000000 0.729359 Al\n0.270641 0.000000 0.270641 Al\n0.500000 0.000000 0.500000 Ru\n",
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{
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"structure_string": "Na2 Nd2 Co2 W2 O12\n1.0\n5.609452 0.000000 0.000000\n0.000000 5.543292 0.000000\n0.000000 0.025172 7.955597\nNa Nd Co W O\n2 2 2 2 12\ndirect\n0.499775 0.745389 0.500095 Na\n0.999775 0.254611 0.499905 Na\n0.440495 0.758594 0.001062 Nd\n0.940495 0.241406 0.998938 Nd\n0.977926 0.749592 0.744162 Co\n0.477926 0.250408 0.255838 Co\n0.984922 0.744736 0.263220 W\n0.484922 0.255264 0.736780 W\n0.275577 0.563658 0.281056 O\n0.775577 0.436342 0.718944 O\n0.008743 0.662243 0.007048 O\n0.508743 0.337757 0.992952 O\n0.961926 0.829882 0.489482 O\n0.461926 0.170118 0.510518 O\n0.694547 0.977030 0.807734 O\n0.194547 0.022970 0.192266 O\n0.718031 0.957885 0.192122 O\n0.218031 0.042115 0.807878 O\n0.789660 0.465706 0.277662 O\n0.289660 0.534294 0.722338 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Co-Na-Nd-O-W",
"density": 6.793128240383168,
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"volume": 247.37793941379914,
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"formula_full": "Na2 Nd2 Co2 W2 O12",
"formula_reduced": "NaNdCoWO6",
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"updated_at": "2021-11-28T01:38:52.083000Z",
"spacegroup": 4
},
{
"id": "mp-977436",
"created_at": "2022-09-04T14:48:25.987149Z",
"structure_string": "Zr1 Al1 Ru2\n1.0\n0.000000 3.155206 3.155206\n3.155206 0.000000 3.155206\n3.155206 3.155206 0.000000\nZr Al Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Ru-Zr",
"density": 8.46748867474463,
"density_atomic": 0.06367175759461619,
"volume": 62.82220172823097,
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"formula_full": "Zr1 Al1 Ru2",
"formula_reduced": "ZrAlRu2",
"formula_anonymous": "ABC2",
"energy": -33.52499239,
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"energy_uncorrected": -33.52499239,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:35.906000Z",
"spacegroup": 225
},
{
"id": "mp-1217313",
"created_at": "2022-09-04T14:48:18.471497Z",
"structure_string": "Ti8 Ga3 Co4 Si1\n1.0\n-3.044676 -3.044676 0.000000\n0.000000 3.044676 -3.044676\n9.053100 -6.008424 -9.053100\nTi Ga Co Si\n8 3 4 1\ndirect\n0.250154 0.749846 0.750463 Ti\n0.500222 0.499778 0.500667 Ti\n0.999226 0.000774 0.997679 Ti\n0.749825 0.250175 0.249474 Ti\n0.312513 0.687487 0.937540 Ti\n0.563447 0.436553 0.690340 Ti\n0.062874 0.937126 0.188622 Ti\n0.812653 0.187347 0.437959 Ti\n0.687196 0.312804 0.061588 Ga\n0.437460 0.562540 0.312380 Ga\n0.187656 0.812344 0.562968 Ga\n0.374920 0.625080 0.124761 Co\n0.125188 0.874812 0.375565 Co\n0.876706 0.123294 0.630118 Co\n0.623513 0.376487 0.870539 Co\n0.936446 0.063554 0.809338 Si\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Ga",
"Co",
"Si"
],
"chemical_system": "Co-Ga-Si-Ti",
"density": 6.3580109832801295,
"density_atomic": 0.07157433476172442,
"volume": 223.54381711356496,
"volume_molar": 8.413827079284907,
"formula_full": "Ti8 Ga3 Co4 Si1",
"formula_reduced": "Ti8Ga3Co4Si",
"formula_anonymous": "AB3C4D8",
"energy": -110.69630673,
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"updated_at": "2021-11-28T01:39:05.979000Z",
"spacegroup": 160
},
{
"id": "mp-1247089",
"created_at": "2022-09-04T14:48:25.942075Z",
"structure_string": "Mg2 Mn2 W2 S8\n1.0\n5.951095 -0.002213 3.431785\n1.839552 6.140431 3.677111\n-0.298034 0.090449 7.378917\nMg Mn W S\n2 2 2 8\ndirect\n0.861784 0.886935 0.885784 Mg\n0.104437 0.147151 0.146214 Mg\n0.511636 0.497813 0.978689 Mn\n0.512699 0.976869 0.497156 Mn\n0.450159 0.501355 0.501166 W\n0.047846 0.501243 0.501039 W\n0.770874 0.725865 0.726086 S\n0.261478 0.228831 0.748655 S\n0.261265 0.749033 0.228879 S\n0.694093 0.275159 0.275970 S\n0.745906 0.289554 0.718940 S\n0.275478 0.726348 0.726590 S\n0.255889 0.275335 0.276005 S\n0.746462 0.718504 0.288828 S\n",
"nsites": 14,
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"elements": [
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"Mn",
"W",
"S"
],
"chemical_system": "Mg-Mn-S-W",
"density": 4.733909148052525,
"density_atomic": 0.050993079667822086,
"volume": 274.54705797724847,
"volume_molar": 11.809721631306223,
"formula_full": "Mg2 Mn2 W2 S8",
"formula_reduced": "MgMnWS4",
"formula_anonymous": "ABCD4",
"energy": -94.26736691,
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"updated_at": "2021-11-28T01:39:45.953000Z",
"spacegroup": 44
},
{
"id": "mp-704235",
"created_at": "2022-09-04T14:48:25.287617Z",
"structure_string": "Ni7 P6 O24\n1.0\n8.678344 -0.029112 -1.455897\n3.034387 8.130620 1.455897\n0.031195 -0.045100 6.571330\nNi P O\n7 6 24\ndirect\n0.007211 0.355625 0.191964 Ni\n0.003017 0.996983 0.001354 Ni\n0.644375 0.992789 0.191964 Ni\n0.363477 0.997011 0.813897 Ni\n0.674800 0.665903 0.003497 Ni\n0.334097 0.325200 0.003497 Ni\n0.002989 0.636523 0.813897 Ni\n0.725520 0.906786 0.708183 P\n0.917355 0.717717 0.297252 P\n0.328995 0.671005 0.070833 P\n0.282283 0.082645 0.297252 P\n0.093214 0.274480 0.708183 P\n0.678743 0.321257 0.938558 P\n0.247207 0.572199 0.936727 O\n0.657931 0.018141 0.491366 O\n0.393882 0.031466 0.137205 O\n0.095622 0.107912 0.208820 O\n0.427801 0.752793 0.936727 O\n0.260522 0.270932 0.281411 O\n0.750207 0.717895 0.725013 O\n0.029007 0.653255 0.514151 O\n0.968534 0.606118 0.137205 O\n0.729068 0.739478 0.281411 O\n0.981859 0.342069 0.491366 O\n0.552041 0.447958 0.750342 O\n0.614226 0.956326 0.869362 O\n0.199683 0.800317 0.140251 O\n0.911360 0.885003 0.794693 O\n0.806305 0.193695 0.863946 O\n0.762735 0.418364 0.073436 O\n0.114997 0.088640 0.794693 O\n0.892088 0.904378 0.208820 O\n0.043674 0.385774 0.869362 O\n0.346745 0.970993 0.514151 O\n0.282105 0.249793 0.725013 O\n0.453828 0.546172 0.263310 O\n0.581636 0.237265 0.073436 O\n",
"nsites": 37,
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"elements": [
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"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 3.4991115126854933,
"density_atomic": 0.07950276225222523,
"volume": 465.39263481960836,
"volume_molar": 7.574756636624214,
"formula_full": "Ni7 P6 O24",
"formula_reduced": "Ni7(PO4)6",
"formula_anonymous": "A6B7C24",
"energy": -262.71207921,
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"updated_at": "2021-11-28T01:39:16.781000Z",
"spacegroup": 12
},
{
"id": "mp-1247014",
"created_at": "2022-09-04T14:48:18.483833Z",
"structure_string": "Ca9 Mn2 N8\n1.0\n9.609609 -0.165423 0.521843\n1.334301 4.722443 0.000000\n2.396257 -0.677050 7.466138\nCa Mn N\n9 2 8\ndirect\n0.000000 0.500000 0.500000 Ca\n0.075128 0.962436 0.762910 Ca\n0.924872 0.037564 0.237090 Ca\n0.654535 0.672733 0.448076 Ca\n0.345465 0.327267 0.551924 Ca\n0.826149 0.586926 0.986429 Ca\n0.173851 0.413074 0.013571 Ca\n0.387801 0.806100 0.179967 Ca\n0.612199 0.193900 0.820033 Ca\n0.385847 0.807077 0.799981 Mn\n0.614153 0.192923 0.200019 Mn\n0.218322 0.890839 0.997774 N\n0.781678 0.109161 0.002226 N\n0.365035 0.817482 0.593700 N\n0.634965 0.182518 0.406300 N\n0.568636 0.715682 0.811473 N\n0.431364 0.284318 0.188527 N\n0.927163 0.536418 0.248208 N\n0.072837 0.463582 0.751792 N\n",
"nsites": 19,
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"elements": [
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"Mn",
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],
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"density": 2.8958674667870805,
"density_atomic": 0.05687076663357232,
"volume": 334.0908013851847,
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"formula_full": "Ca9 Mn2 N8",
"formula_reduced": "Ca9(MnN4)2",
"formula_anonymous": "A2B8C9",
"energy": -121.08786270000002,
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"spacegroup": 12
},
{
"id": "mp-1303020",
"created_at": "2022-09-04T14:48:25.976256Z",
"structure_string": "Li4 Mn6 Te2 O16\n1.0\n-0.002901 -3.419367 4.835799\n6.287001 0.001201 -0.003215\n-0.001964 7.333434 5.185852\nLi Mn Te O\n4 6 2 16\ndirect\n0.000437 0.291796 0.131245 Li\n0.499211 0.792292 0.630897 Li\n0.999469 0.707614 0.869147 Li\n0.500715 0.208292 0.368753 Li\n0.500246 0.000064 0.999977 Mn\n0.750028 0.748909 0.251203 Mn\n0.249868 0.251130 0.748960 Mn\n0.000550 0.500131 0.499690 Mn\n0.250055 0.750854 0.248832 Mn\n0.749840 0.249067 0.751049 Mn\n0.999935 0.000175 0.499922 Te\n0.499968 0.499880 0.000110 Te\n0.000684 0.554237 0.259909 O\n0.499190 0.054261 0.759876 O\n0.999301 0.445902 0.740166 O\n0.500787 0.945756 0.240132 O\n0.228177 0.777174 0.497552 O\n0.729305 0.277915 0.997860 O\n0.770965 0.777707 0.498654 O\n0.272068 0.276578 0.998674 O\n0.998933 0.981439 0.275587 O\n0.499234 0.481192 0.775751 O\n0.000969 0.018760 0.724275 O\n0.500652 0.518462 0.224427 O\n0.229041 0.222465 0.501230 O\n0.727849 0.723100 0.001520 O\n0.771807 0.223039 0.502295 O\n0.270716 0.721810 0.002306 O\n",
"nsites": 28,
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"volume": 334.43908427074143,
"volume_molar": 7.192997289728239,
"formula_full": "Li4 Mn6 Te2 O16",
"formula_reduced": "Li2Mn3TeO8",
"formula_anonymous": "AB2C3D8",
"energy": -203.90878583,
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{
"id": "mp-1185386",
"created_at": "2022-09-04T14:48:25.322073Z",
"structure_string": "Li1 Gd1 Tl2\n1.0\n0.000000 3.678768 3.678768\n3.678768 0.000000 3.678768\n3.678768 3.678768 0.000000\nLi Gd Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Gd\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
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"elements": [
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],
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"density_atomic": 0.0401719390772471,
"volume": 99.57199208901399,
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"formula_full": "Li1 Gd1 Tl2",
"formula_reduced": "LiGdTl2",
"formula_anonymous": "ABC2",
"energy": -21.89793848,
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"updated_at": "2021-11-28T01:39:22.504000Z",
"spacegroup": 225
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{
"id": "mp-1222226",
"created_at": "2022-09-04T14:48:18.510594Z",
"structure_string": "Pr12 Cd72\n1.0\n-7.903838 7.974023 8.135388\n7.903838 -7.974023 8.135388\n7.903838 7.974023 -8.135388\nPr Cd\n12 72\ndirect\n0.804015 0.506087 0.702072 Pr\n0.195985 0.493913 0.297928 Pr\n0.195985 0.898058 0.702072 Pr\n0.804015 0.101942 0.297928 Pr\n0.110492 0.301309 0.809183 Pr\n0.889508 0.698691 0.190817 Pr\n0.492126 0.301309 0.190817 Pr\n0.507874 0.698691 0.809183 Pr\n0.297216 0.188332 0.485548 Pr\n0.702784 0.811668 0.514452 Pr\n0.297216 0.811668 0.108884 Pr\n0.702784 0.188332 0.891116 Pr\n0.998178 0.677014 0.999633 Cd\n0.322619 0.322986 0.321165 Cd\n0.001822 0.001455 0.678835 Cd\n0.677381 0.998545 0.000367 Cd\n0.001822 0.322986 0.000367 Cd\n0.677381 0.677014 0.678835 Cd\n0.998178 0.998545 0.321165 Cd\n0.322619 0.001455 0.999633 Cd\n0.743530 0.647454 0.903925 Cd\n0.256470 0.352546 0.096075 Cd\n0.256470 0.160395 0.903925 Cd\n0.743530 0.839605 0.096075 Cd\n0.854554 0.090261 0.764293 Cd\n0.145446 0.909739 0.235707 Cd\n0.325967 0.090261 0.235707 Cd\n0.674033 0.909739 0.764293 Cd\n0.094499 0.242190 0.336689 Cd\n0.905501 0.757810 0.663311 Cd\n0.094499 0.757810 0.852309 Cd\n0.905501 0.242190 0.147691 Cd\n0.596363 0.242614 0.646251 Cd\n0.403637 0.757386 0.353749 Cd\n0.403637 0.049888 0.646251 Cd\n0.596363 0.950112 0.353749 Cd\n0.948411 0.352795 0.595616 Cd\n0.051589 0.647205 0.404384 Cd\n0.757179 0.352795 0.404384 Cd\n0.242821 0.647205 0.595616 Cd\n0.350013 0.403699 0.753712 Cd\n0.649987 0.596301 0.246288 Cd\n0.350013 0.596301 0.946314 Cd\n0.649987 0.403699 0.053686 Cd\n0.591873 0.591873 0.000000 Cd\n0.408127 0.408127 0.000000 Cd\n0.595736 0.000000 0.595736 Cd\n0.404264 0.000000 0.404264 Cd\n0.000000 0.404671 0.404671 Cd\n0.000000 0.595329 0.595329 Cd\n0.772492 0.452492 0.914658 Cd\n0.462166 0.547508 0.320000 Cd\n0.227508 0.142166 0.680000 Cd\n0.537834 0.857834 0.085342 Cd\n0.860149 0.089702 0.548520 Cd\n0.139851 0.688371 0.229553 Cd\n0.541182 0.311629 0.451480 Cd\n0.458818 0.910298 0.770447 Cd\n0.315674 0.455913 0.540519 Cd\n0.915394 0.775155 0.459481 Cd\n0.084606 0.544087 0.859761 Cd\n0.684326 0.224845 0.140239 Cd\n0.227508 0.547508 0.085342 Cd\n0.537834 0.452492 0.680000 Cd\n0.772492 0.857834 0.320000 Cd\n0.462166 0.142166 0.914658 Cd\n0.139851 0.910298 0.451480 Cd\n0.860149 0.311629 0.770447 Cd\n0.458818 0.688371 0.548520 Cd\n0.541182 0.089702 0.229553 Cd\n0.684326 0.544087 0.459481 Cd\n0.084606 0.224845 0.540519 Cd\n0.915394 0.455913 0.140239 Cd\n0.315674 0.775155 0.859761 Cd\n0.500000 0.301961 0.801961 Cd\n0.500000 0.698039 0.198039 Cd\n0.698743 0.198743 0.500000 Cd\n0.301257 0.801257 0.500000 Cd\n0.193611 0.500000 0.693611 Cd\n0.806389 0.500000 0.306389 Cd\n0.915267 0.820999 0.905732 Cd\n0.084733 0.179001 0.094268 Cd\n0.084733 0.990465 0.905732 Cd\n0.915267 0.009535 0.094268 Cd\n",
"nsites": 84,
"nelements": 2,
"elements": [
"Pr",
"Cd"
],
"chemical_system": "Cd-Pr",
"density": 7.921970848518262,
"density_atomic": 0.040956752151625385,
"volume": 2050.9438758479882,
"volume_molar": 14.703657989543512,
"formula_full": "Pr12 Cd72",
"formula_reduced": "PrCd6",
"formula_anonymous": "AB6",
"energy": -141.44674384,
"energy_per_atom": -1.6838898076190478,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.44674384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.003000Z",
"spacegroup": 71
},
{
"id": "mp-760964",
"created_at": "2022-09-04T14:48:25.323328Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n-9.712999 0.000000 0.000000\n4.853101 8.485175 0.000000\n-0.017133 -0.322111 -14.261696\nLi V P O\n6 6 16 58\ndirect\n0.653255 0.315114 0.102734 Li\n0.769413 0.687554 0.936342 Li\n0.093658 0.327755 0.561049 Li\n0.902702 0.667783 0.440987 Li\n0.042487 0.059968 0.005037 Li\n0.997153 0.996673 0.500971 Li\n0.995833 0.433890 0.757056 V\n0.005328 0.567769 0.246427 V\n0.431617 0.429563 0.251526 V\n0.556829 0.563565 0.747360 V\n0.439948 0.999838 0.749332 V\n0.564571 0.999294 0.255626 V\n0.302351 0.082524 0.157393 P\n0.303823 0.216197 0.661357 P\n0.782936 0.081581 0.657893 P\n0.664267 0.337352 0.869321 P\n0.671193 0.340417 0.368482 P\n0.907276 0.214295 0.162158 P\n0.085398 0.313272 0.343192 P\n0.772075 0.679096 0.153403 P\n0.224368 0.308530 0.844756 P\n0.909610 0.681077 0.657101 P\n0.089601 0.784247 0.836367 P\n0.325095 0.661310 0.632695 P\n0.338704 0.665986 0.132006 P\n0.218084 0.920292 0.342661 P\n0.697362 0.779141 0.335569 P\n0.698780 0.918936 0.842590 P\n0.190203 0.991161 0.427668 O\n0.349596 0.086052 0.666629 O\n0.204827 0.221735 0.931009 O\n0.344437 0.260069 0.169114 O\n0.466026 0.090321 0.168516 O\n0.522455 0.189426 0.822411 O\n0.618429 0.072899 0.669910 O\n0.793025 0.993059 0.928344 O\n0.730554 0.081254 0.168544 O\n0.522506 0.337230 0.321763 O\n0.459707 0.379401 0.672405 O\n0.667555 0.190403 0.322867 O\n0.670610 0.337638 0.973727 O\n0.674476 0.349919 0.472118 O\n0.815904 0.338397 0.826344 O\n0.623635 0.515522 0.169304 O\n0.668112 0.488114 0.833116 O\n0.914551 0.259359 0.667971 O\n0.985407 0.196034 0.258432 O\n0.021888 0.241103 0.435030 O\n0.990948 0.198445 0.080508 O\n0.902280 0.372492 0.171141 O\n0.819356 0.488179 0.326217 O\n0.091330 0.352534 0.830210 O\n0.912625 0.527048 0.674199 O\n0.736740 0.646272 0.674419 O\n0.204305 0.197114 0.755294 O\n0.202041 0.203330 0.580001 O\n0.806209 0.798625 0.414364 O\n0.258632 0.346756 0.329541 O\n0.084531 0.468218 0.324400 O\n0.917200 0.652521 0.168737 O\n0.179041 0.511343 0.672206 O\n0.085842 0.622257 0.826347 O\n0.996150 0.792078 0.916256 O\n0.968981 0.754942 0.564984 O\n0.014424 0.803075 0.739094 O\n0.086505 0.741038 0.333606 O\n0.349262 0.527461 0.178188 O\n0.384241 0.462868 0.830304 O\n0.183586 0.655525 0.177030 O\n0.336619 0.664510 0.028965 O\n0.329795 0.656693 0.529090 O\n0.330920 0.810641 0.679257 O\n0.543404 0.618481 0.327550 O\n0.474318 0.661254 0.680419 O\n0.264331 0.917271 0.833181 O\n0.198977 0.999182 0.249253 O\n0.204904 0.009405 0.072532 O\n0.382498 0.929951 0.330338 O\n0.474252 0.817728 0.181730 O\n0.542299 0.925425 0.827488 O\n0.652748 0.740720 0.834094 O\n0.779809 0.752815 0.062806 O\n0.787987 0.798275 0.237131 O\n0.655663 0.914360 0.333745 O\n0.810178 0.009821 0.572839 O\n0.801683 0.999022 0.750196 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5017458862273303,
"density_atomic": 0.07316664287451942,
"volume": 1175.399015470612,
"volume_molar": 8.230718977127259,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -656.7305515400001,
"energy_per_atom": -7.6364017620930245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -606.68455154,
"band_gap": 1.2594,
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"is_magnetic": false,
"total_magnetization": 0.0015461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:40.722000Z",
"spacegroup": 1
},
{
"id": "mp-676036",
"created_at": "2022-09-04T14:48:18.728005Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n-3.938216 3.938216 2.607380\n3.938216 -3.938216 2.607380\n3.938216 3.938216 -2.607380\nBa Fe S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.402911 0.902911 0.805823 S\n0.597089 0.402911 0.500000 S\n0.902911 0.097089 0.500000 S\n0.097089 0.597089 0.194177 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"S"
],
"chemical_system": "Ba-Fe-S",
"density": 3.8729870218197155,
"density_atomic": 0.043274758627157704,
"volume": 161.75711250777601,
"volume_molar": 13.916058577899769,
"formula_full": "Ba1 Fe2 S4",
"formula_reduced": "Ba(FeS2)2",
"formula_anonymous": "AB2C4",
"energy": -43.27034563,
"energy_per_atom": -6.181477947142858,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -41.25834563,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.045000Z",
"spacegroup": 97
}
]
}