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{
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"results": [
{
"id": "mp-1208769",
"created_at": "2022-09-04T14:39:13.404823Z",
"structure_string": "Sr4 Mn4 P8 O28\n1.0\n8.524768 0.000000 0.000000\n0.000000 5.450372 0.000000\n0.000000 5.424681 12.910115\nSr Mn P O\n4 4 8 28\ndirect\n0.329899 0.436614 0.776008 Sr\n0.670101 0.563386 0.223992 Sr\n0.829899 0.563386 0.723992 Sr\n0.170101 0.436614 0.276008 Sr\n0.645674 0.926594 0.896002 Mn\n0.354326 0.073406 0.103998 Mn\n0.145674 0.073406 0.603998 Mn\n0.854326 0.926594 0.396002 Mn\n0.296118 0.704905 0.979823 P\n0.703882 0.295095 0.020177 P\n0.796118 0.295095 0.520177 P\n0.203882 0.704905 0.479823 P\n0.033462 0.909132 0.838135 P\n0.966538 0.090868 0.161865 P\n0.533462 0.090868 0.661865 P\n0.466538 0.909132 0.338135 P\n0.117956 0.789850 0.768245 O\n0.882044 0.210150 0.231755 O\n0.617956 0.210150 0.731755 O\n0.382044 0.789850 0.268245 O\n0.362316 0.182044 0.649066 O\n0.637684 0.817956 0.350934 O\n0.862316 0.817956 0.850934 O\n0.137684 0.182044 0.149066 O\n0.332693 0.441712 0.968357 O\n0.667307 0.558288 0.031643 O\n0.832693 0.558288 0.531643 O\n0.167307 0.441712 0.468357 O\n0.185907 0.695147 0.590523 O\n0.814093 0.304853 0.409477 O\n0.685907 0.304853 0.909477 O\n0.314093 0.695147 0.090523 O\n0.111789 0.775081 0.952785 O\n0.888211 0.224919 0.047215 O\n0.611789 0.224919 0.547215 O\n0.388211 0.775081 0.452785 O\n0.053120 0.210441 0.799638 O\n0.946880 0.789559 0.200362 O\n0.553120 0.789559 0.700362 O\n0.446880 0.210441 0.299638 O\n0.391254 0.937884 0.902056 O\n0.608746 0.062116 0.097944 O\n0.891254 0.062116 0.597944 O\n0.108746 0.937884 0.402056 O\n",
"nsites": 44,
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"elements": [
"Sr",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sr",
"density": 3.5046597217423856,
"density_atomic": 0.07335231963651184,
"volume": 599.8446977278488,
"volume_molar": 8.209884554219904,
"formula_full": "Sr4 Mn4 P8 O28",
"formula_reduced": "SrMnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -353.72683937,
"energy_per_atom": -8.039246349318182,
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"band_gap": 3.933100000000001,
"is_gap_direct": true,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.798000Z",
"spacegroup": 14
},
{
"id": "mp-6891",
"created_at": "2022-09-04T14:40:59.530734Z",
"structure_string": "Sb4 Ru2 C12 O12 F24\n1.0\n8.449588 0.000000 0.000000\n0.000000 8.449588 0.000000\n0.000000 0.000000 12.671423\nSb Ru C O F\n4 2 12 12 24\ndirect\n0.500000 0.000000 0.750000 Sb\n0.000000 0.500000 0.750000 Sb\n0.500000 0.000000 0.250000 Sb\n0.000000 0.500000 0.250000 Sb\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.628958 0.700783 0.500000 C\n0.371042 0.299217 0.500000 C\n0.000000 0.000000 0.158684 C\n0.500000 0.500000 0.341316 C\n0.000000 0.000000 0.841316 C\n0.500000 0.500000 0.658684 C\n0.200783 0.128958 0.000000 C\n0.871042 0.200783 0.000000 C\n0.128958 0.799217 0.000000 C\n0.700783 0.371042 0.500000 C\n0.299217 0.628958 0.500000 C\n0.799217 0.871042 0.000000 C\n0.700248 0.814708 0.500000 O\n0.299752 0.185292 0.500000 O\n0.000000 0.000000 0.248360 O\n0.500000 0.500000 0.251640 O\n0.000000 0.000000 0.751640 O\n0.500000 0.500000 0.748360 O\n0.314708 0.200248 0.000000 O\n0.799752 0.314708 0.000000 O\n0.200248 0.685292 0.000000 O\n0.814708 0.299752 0.500000 O\n0.185292 0.700248 0.500000 O\n0.685292 0.799752 0.000000 O\n0.339675 0.160325 0.750000 F\n0.160325 0.660325 0.250000 F\n0.839675 0.339675 0.750000 F\n0.393048 0.880983 0.358116 F\n0.160325 0.660325 0.750000 F\n0.660325 0.839675 0.750000 F\n0.619017 0.106952 0.141884 F\n0.893048 0.619017 0.141884 F\n0.106952 0.380983 0.141884 F\n0.119017 0.393048 0.358116 F\n0.880983 0.606952 0.358116 F\n0.380983 0.893048 0.141884 F\n0.606952 0.119017 0.358116 F\n0.839675 0.339675 0.250000 F\n0.380983 0.893048 0.858116 F\n0.106952 0.380983 0.858116 F\n0.893048 0.619017 0.858116 F\n0.880983 0.606952 0.641884 F\n0.119017 0.393048 0.641884 F\n0.619017 0.106952 0.858116 F\n0.393048 0.880983 0.641884 F\n0.606952 0.119017 0.641884 F\n0.339675 0.160325 0.250000 F\n0.660325 0.839675 0.250000 F\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Sb",
"Ru",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Ru-Sb",
"density": 2.7188470736502692,
"density_atomic": 0.05968941248748173,
"volume": 904.6830543243337,
"volume_molar": 10.089127215421971,
"formula_full": "Sb4 Ru2 C12 O12 F24",
"formula_reduced": "Sb2RuC6(OF2)6",
"formula_anonymous": "AB2C6D6E12",
"energy": -353.73544008,
"energy_per_atom": -6.550656297777778,
"energy_above_hull": null,
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"energy_uncorrected": -334.40344008,
"band_gap": 4.7623,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.812000Z",
"spacegroup": 128
},
{
"id": "mp-1647282",
"created_at": "2022-09-04T14:39:27.186559Z",
"structure_string": "Co4 Sb4 P8 O32\n1.0\n0.134061 6.259999 4.933080\n0.228733 -6.313889 4.997950\n10.080521 -0.078222 0.374128\nCo Sb P O\n4 4 8 32\ndirect\n0.086518 0.328219 0.220237 Co\n0.917510 0.668419 0.783390 Co\n0.583446 0.831792 0.217280 Co\n0.413518 0.172375 0.779887 Co\n0.597103 0.341091 0.298614 Sb\n0.106074 0.855009 0.285336 Sb\n0.393764 0.644599 0.714330 Sb\n0.902920 0.159116 0.701727 Sb\n0.325315 0.074608 0.091789 P\n0.829261 0.579736 0.108775 P\n0.670228 0.920264 0.891006 P\n0.174937 0.425384 0.908620 P\n0.817556 0.043828 0.403909 P\n0.299386 0.571480 0.408997 P\n0.200687 0.927692 0.590907 P\n0.682626 0.456831 0.596080 P\n0.678510 0.928564 0.039029 O\n0.202053 0.452113 0.053898 O\n0.298738 0.048075 0.946422 O\n0.820415 0.571573 0.960776 O\n0.473038 0.223384 0.117198 O\n0.984197 0.731980 0.136332 O\n0.515483 0.768078 0.863211 O\n0.026883 0.276742 0.883572 O\n0.460879 0.711281 0.383096 O\n0.961811 0.205297 0.385818 O\n0.537653 0.295822 0.613961 O\n0.039418 0.787648 0.617040 O\n0.230940 0.974183 0.435627 O\n0.738630 0.498225 0.448630 O\n0.762589 0.002100 0.551529 O\n0.267910 0.525449 0.564278 O\n0.147478 0.085840 0.171853 O\n0.654490 0.594910 0.179806 O\n0.335990 0.897356 0.173145 O\n0.848306 0.406318 0.182689 O\n0.651408 0.093718 0.816803 O\n0.164295 0.602620 0.827178 O\n0.845357 0.905391 0.820231 O\n0.352445 0.413894 0.828151 O\n0.876359 0.880614 0.347686 O\n0.298547 0.407047 0.338990 O\n0.662415 0.054341 0.317330 O\n0.130875 0.627367 0.358272 O\n0.201840 0.091819 0.661380 O\n0.623541 0.620262 0.651572 O\n0.369691 0.871714 0.640242 O\n0.836971 0.445830 0.683372 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Co",
"Sb",
"P",
"O"
],
"chemical_system": "Co-O-P-Sb",
"density": 3.917105282991769,
"density_atomic": 0.07637476515837004,
"volume": 628.4798375545591,
"volume_molar": 7.884987597032269,
"formula_full": "Co4 Sb4 P8 O32",
"formula_reduced": "CoSb(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -353.74425818,
"energy_per_atom": -7.369672045416666,
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"energy_uncorrected": -325.20825818,
"band_gap": 1.899,
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"updated_at": "2021-11-28T01:34:33.035000Z",
"spacegroup": 2
},
{
"id": "mp-1984978",
"created_at": "2022-09-04T14:47:38.392744Z",
"structure_string": "Na2 V6 H12 S4 O28\n1.0\n3.706399 2.138199 5.726068\n-3.694546 2.138567 5.718012\n-3.693683 -10.681377 5.713876\nNa V H S O\n2 6 12 4 28\ndirect\n0.498763 0.004832 0.499974 Na\n0.000012 0.995343 0.998751 Na\n0.499573 0.500284 0.499690 V\n0.999911 0.000561 0.499900 V\n0.749882 0.000098 0.749875 V\n0.000336 0.499398 0.000394 V\n0.499986 0.999160 0.000184 V\n0.249876 0.999849 0.249908 V\n0.657870 0.298477 0.357426 H\n0.157144 0.297317 0.858252 H\n0.450285 0.713968 0.150399 H\n0.953328 0.714370 0.651458 H\n0.865275 0.299914 0.150235 H\n0.364643 0.299811 0.648726 H\n0.842041 0.701381 0.142597 H\n0.342855 0.702767 0.641744 H\n0.050222 0.285797 0.349765 H\n0.547148 0.285651 0.848934 H\n0.634831 0.700337 0.349959 H\n0.135539 0.700409 0.851482 H\n0.035251 0.690815 0.344741 S\n0.537226 0.688767 0.844981 S\n0.464618 0.309164 0.155191 S\n0.962745 0.311284 0.654998 S\n0.906059 0.605207 0.301491 O\n0.408769 0.602195 0.801901 O\n0.593875 0.394782 0.198429 O\n0.091272 0.397923 0.697952 O\n0.243874 0.499065 0.413467 O\n0.745990 0.497789 0.913789 O\n0.914082 0.828445 0.414895 O\n0.415292 0.826518 0.914951 O\n0.077285 0.830717 0.249077 O\n0.578722 0.829142 0.749227 O\n0.256040 0.500953 0.086452 O\n0.753945 0.502194 0.586206 O\n0.585797 0.171552 0.085034 O\n0.084628 0.173383 0.585075 O\n0.422521 0.169288 0.250850 O\n0.921273 0.171047 0.750827 O\n0.801950 0.741654 0.061103 O\n0.301555 0.742303 0.560480 O\n0.111046 0.122909 0.370242 O\n0.609384 0.122501 0.869623 O\n0.492593 0.740206 0.370238 O\n0.993174 0.741763 0.871743 O\n0.697935 0.258082 0.438934 O\n0.198394 0.257591 0.939535 O\n0.389279 0.876926 0.129901 O\n0.891059 0.877581 0.630584 O\n0.007546 0.259797 0.129912 O\n0.507007 0.258531 0.628418 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Na",
"V",
"H",
"S",
"O"
],
"chemical_system": "H-Na-O-S-V",
"density": 2.8753478149871845,
"density_atomic": 0.09579261238684361,
"volume": 542.8393558159377,
"volume_molar": 6.286644251521733,
"formula_full": "Na2 V6 H12 S4 O28",
"formula_reduced": "NaV3H6(SO7)2",
"formula_anonymous": "AB2C3D6E14",
"energy": -353.7647332,
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"updated_at": "2021-11-28T01:38:13.221000Z",
"spacegroup": 12
},
{
"id": "mp-567609",
"created_at": "2022-09-04T14:42:45.036223Z",
"structure_string": "Al2 Sn4 P2 H48 C16\n1.0\n9.703173 0.000000 0.000000\n4.238715 9.085887 0.000000\n1.381242 1.924654 9.963968\nAl Sn P H C\n2 4 2 48 16\ndirect\n0.016886 0.637900 0.068689 Al\n0.983114 0.362100 0.931311 Al\n0.165342 0.657722 0.667721 Sn\n0.711085 0.812481 0.762557 Sn\n0.288915 0.187519 0.237443 Sn\n0.834658 0.342278 0.332279 Sn\n0.969030 0.618017 0.844794 P\n0.030970 0.381983 0.155206 P\n0.186268 0.685374 0.394703 H\n0.254673 0.216598 0.504200 H\n0.257037 0.889247 0.597844 H\n0.660234 0.663152 0.592300 H\n0.688121 0.444969 0.975795 H\n0.574783 0.116093 0.123457 H\n0.426622 0.468885 0.802805 H\n0.384913 0.370371 0.699024 H\n0.265757 0.944819 0.175992 H\n0.742963 0.110753 0.402156 H\n0.750462 0.367178 0.828396 H\n0.469432 0.499416 0.626269 H\n0.201519 0.955719 0.346648 H\n0.175647 0.094223 0.910230 H\n0.533012 0.687092 0.928328 H\n0.144608 0.211111 0.749385 H\n0.904101 0.439349 0.535638 H\n0.425217 0.883907 0.876543 H\n0.061513 0.961750 0.655132 H\n0.989964 0.758613 0.446361 H\n0.813732 0.314626 0.605297 H\n0.311879 0.555031 0.024205 H\n0.745327 0.783402 0.495800 H\n0.217597 0.751758 0.012094 H\n0.207228 0.865558 0.773498 H\n0.555971 0.817573 0.007481 H\n0.400636 0.881335 0.303021 H\n0.938487 0.038250 0.344868 H\n0.573378 0.531115 0.197195 H\n0.734243 0.055181 0.824008 H\n0.792772 0.134442 0.226502 H\n0.782403 0.248242 0.987906 H\n0.444029 0.182427 0.992519 H\n0.730846 0.782684 0.142460 H\n0.269154 0.217316 0.857540 H\n0.095899 0.560651 0.464362 H\n0.466988 0.312908 0.071672 H\n0.339766 0.336848 0.407700 H\n0.548168 0.859646 0.546126 H\n0.798481 0.044281 0.653352 H\n0.824353 0.905777 0.089770 H\n0.249538 0.632822 0.171604 H\n0.010036 0.241387 0.553639 H\n0.599364 0.118665 0.696979 H\n0.855392 0.788889 0.250615 H\n0.451832 0.140354 0.453874 H\n0.530568 0.500584 0.373731 H\n0.615087 0.629629 0.300976 H\n0.464540 0.202122 0.087619 C\n0.161288 0.206970 0.854731 C\n0.101074 0.666384 0.469844 C\n0.611635 0.523128 0.295661 C\n0.838712 0.793030 0.145269 C\n0.173485 0.869317 0.674357 C\n0.826515 0.130683 0.325643 C\n0.288549 0.965838 0.269701 C\n0.898926 0.333616 0.530156 C\n0.711451 0.034162 0.730299 C\n0.218844 0.643722 0.068827 C\n0.338771 0.225359 0.423543 C\n0.388365 0.476872 0.704339 C\n0.781156 0.356278 0.931173 C\n0.661229 0.774641 0.576457 C\n0.535460 0.797878 0.912381 C\n",
"nsites": 72,
"nelements": 5,
"elements": [
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"Sn",
"P",
"H",
"C"
],
"chemical_system": "Al-C-H-P-Sn",
"density": 1.5714297618980082,
"density_atomic": 0.0819632303391077,
"volume": 878.4426834095402,
"volume_molar": 7.3473687348394,
"formula_full": "Al2 Sn4 P2 H48 C16",
"formula_reduced": "AlSn2P(H3C)8",
"formula_anonymous": "ABC2D8E24",
"energy": -353.76801899,
"energy_per_atom": -4.913444708194444,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:54.419000Z",
"spacegroup": 2
},
{
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"structure_string": "K32 Li16 Sn64\n1.0\n11.155796 11.161958 0.000000\n-11.155796 11.161958 0.000000\n0.000000 11.155274 15.609883\nK Li Sn\n32 16 64\ndirect\n0.877249 0.122751 0.750000 K\n0.927621 0.409109 0.135392 K\n0.636303 0.867789 0.250207 K\n0.409109 0.927621 0.635392 K\n0.604704 0.868797 0.743310 K\n0.590891 0.072379 0.364608 K\n0.461739 0.430507 0.628051 K\n0.910954 0.938509 0.633714 K\n0.388612 0.611388 0.750000 K\n0.122751 0.877249 0.250000 K\n0.353258 0.646742 0.250000 K\n0.646742 0.353258 0.750000 K\n0.611388 0.388612 0.250000 K\n0.885930 0.114070 0.250000 K\n0.395296 0.131203 0.256690 K\n0.938509 0.910954 0.133714 K\n0.061491 0.089046 0.866286 K\n0.089046 0.061491 0.366286 K\n0.363697 0.132211 0.749793 K\n0.538261 0.569493 0.371949 K\n0.867789 0.636303 0.750207 K\n0.569493 0.538261 0.871949 K\n0.131203 0.395296 0.756690 K\n0.438194 0.959559 0.132734 K\n0.132211 0.363697 0.249793 K\n0.114070 0.885930 0.750000 K\n0.430507 0.461739 0.128051 K\n0.040441 0.561806 0.367266 K\n0.959559 0.438194 0.632734 K\n0.561806 0.040441 0.867266 K\n0.868797 0.604704 0.243310 K\n0.072379 0.590891 0.864608 K\n0.248113 0.542369 0.998580 Li\n0.248419 0.042708 0.501246 Li\n0.751360 0.541200 0.502141 Li\n0.751581 0.957292 0.498754 Li\n0.957292 0.751581 0.998754 Li\n0.751887 0.457631 0.001420 Li\n0.242251 0.954046 0.003280 Li\n0.248640 0.458800 0.497859 Li\n0.954046 0.242251 0.503280 Li\n0.458800 0.248640 0.997859 Li\n0.757749 0.045954 0.996720 Li\n0.541200 0.751360 0.002141 Li\n0.045954 0.757749 0.496720 Li\n0.042708 0.248419 0.001246 Li\n0.457631 0.751887 0.501420 Li\n0.542369 0.248113 0.498580 Li\n0.761874 0.393122 0.872427 Sn\n0.148623 0.263346 0.635648 Sn\n0.693873 0.401513 0.447253 Sn\n0.632472 0.106023 0.128572 Sn\n0.596321 0.795149 0.572562 Sn\n0.106023 0.632472 0.628572 Sn\n0.807741 0.345983 0.552718 Sn\n0.133961 0.348933 0.466192 Sn\n0.602003 0.649229 0.138528 Sn\n0.872857 0.238904 0.871481 Sn\n0.113419 0.264258 0.117197 Sn\n0.348933 0.133961 0.966192 Sn\n0.764253 0.772457 0.616791 Sn\n0.772457 0.764253 0.116791 Sn\n0.235747 0.227543 0.383209 Sn\n0.851377 0.736654 0.364352 Sn\n0.227543 0.235747 0.883209 Sn\n0.345983 0.807741 0.052718 Sn\n0.359075 0.902763 0.450652 Sn\n0.736654 0.851377 0.864352 Sn\n0.393122 0.761874 0.372427 Sn\n0.262633 0.737573 0.867412 Sn\n0.238126 0.606878 0.127573 Sn\n0.140871 0.849949 0.556312 Sn\n0.761096 0.127143 0.628519 Sn\n0.306127 0.598487 0.552747 Sn\n0.127143 0.761096 0.128519 Sn\n0.262427 0.737367 0.632588 Sn\n0.859129 0.150051 0.443688 Sn\n0.903959 0.867174 0.426851 Sn\n0.367528 0.893977 0.871428 Sn\n0.192259 0.654017 0.447282 Sn\n0.634635 0.681420 0.469468 Sn\n0.238904 0.872857 0.371481 Sn\n0.097237 0.640925 0.049348 Sn\n0.132826 0.096041 0.073149 Sn\n0.350771 0.397997 0.361472 Sn\n0.737573 0.262633 0.367412 Sn\n0.401513 0.693873 0.947253 Sn\n0.737367 0.262427 0.132588 Sn\n0.902763 0.359075 0.950652 Sn\n0.204852 0.403679 0.927438 Sn\n0.886581 0.735742 0.882803 Sn\n0.866039 0.651067 0.533808 Sn\n0.150051 0.859129 0.943688 Sn\n0.640925 0.097237 0.549348 Sn\n0.598487 0.306127 0.052747 Sn\n0.403679 0.204852 0.427438 Sn\n0.096041 0.132826 0.573149 Sn\n0.681420 0.634635 0.969468 Sn\n0.735742 0.886581 0.382803 Sn\n0.849949 0.140871 0.056312 Sn\n0.893977 0.367528 0.371428 Sn\n0.651067 0.866039 0.033808 Sn\n0.397997 0.350771 0.861472 Sn\n0.264258 0.113419 0.617197 Sn\n0.263346 0.148623 0.135648 Sn\n0.606878 0.238126 0.627573 Sn\n0.867174 0.903959 0.926851 Sn\n0.318580 0.365365 0.030532 Sn\n0.365365 0.318580 0.530532 Sn\n0.795149 0.596321 0.072562 Sn\n0.654017 0.192259 0.947282 Sn\n0.649229 0.602003 0.638528 Sn\n",
"nsites": 112,
"nelements": 3,
"elements": [
"K",
"Li",
"Sn"
],
"chemical_system": "K-Li-Sn",
"density": 3.827094123783893,
"density_atomic": 0.028810276815022764,
"volume": 3887.5016966723133,
"volume_molar": 20.902752162588833,
"formula_full": "K32 Li16 Sn64",
"formula_reduced": "K2LiSn4",
"formula_anonymous": "AB2C4",
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"band_gap": 0.6936999999999998,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.284000Z",
"spacegroup": 15
},
{
"id": "mp-1225940",
"created_at": "2022-09-04T14:39:07.083417Z",
"structure_string": "K60 Ga18 As38\n1.0\n0.000712 0.000314 15.835991\n-8.480010 14.686088 -5.278755\n-8.479207 -14.685834 -5.279346\nK Ga As\n60 18 38\ndirect\n0.586319 0.116887 0.393131 K\n0.253391 0.116589 0.393493 K\n0.920596 0.116916 0.393122 K\n0.803727 0.276261 0.883157 K\n0.469419 0.276278 0.883152 K\n0.136829 0.276986 0.883481 K\n0.859941 0.606487 0.723080 K\n0.527635 0.606903 0.723825 K\n0.193267 0.606886 0.723794 K\n0.080350 0.883112 0.606870 K\n0.746066 0.883086 0.606880 K\n0.413275 0.883412 0.606505 K\n0.862942 0.723744 0.116849 K\n0.529835 0.723012 0.116521 K\n0.197253 0.723726 0.116852 K\n0.806724 0.393512 0.276922 K\n0.473404 0.393118 0.276209 K\n0.139033 0.393096 0.276178 K\n0.749885 0.333093 0.666624 K\n0.416721 0.333360 0.666856 K\n0.083296 0.333348 0.666573 K\n0.916780 0.666905 0.333373 K\n0.583370 0.666649 0.333424 K\n0.249950 0.666643 0.333149 K\n0.698356 0.008466 0.818650 K\n0.353194 0.008521 0.818716 K\n0.023974 0.009336 0.813142 K\n0.014722 0.803754 0.990645 K\n0.689805 0.810133 0.991493 K\n0.344655 0.810196 0.991456 K\n0.534458 0.181296 0.189836 K\n0.210997 0.186813 0.196182 K\n0.879664 0.181381 0.189897 K\n0.968306 0.991532 0.181344 K\n0.642698 0.990669 0.186871 K\n0.313475 0.991483 0.181289 K\n0.651940 0.196239 0.009344 K\n0.322009 0.189807 0.008541 K\n0.976864 0.189870 0.008510 K\n0.132212 0.818703 0.810165 K\n0.787003 0.818623 0.810102 K\n0.455661 0.813176 0.803806 K\n0.975104 0.064557 0.610900 K\n0.308659 0.064460 0.611861 K\n0.642196 0.064388 0.611796 K\n0.244223 0.547408 0.935555 K\n0.577845 0.547382 0.935614 K\n0.910578 0.546249 0.935463 K\n0.030370 0.388103 0.452497 K\n0.364166 0.389002 0.453568 K\n0.696712 0.388019 0.452478 K\n0.358011 0.935541 0.388138 K\n0.691569 0.935447 0.389101 K\n0.024464 0.935610 0.388203 K\n0.088820 0.452619 0.064387 K\n0.422444 0.452589 0.064443 K\n0.756092 0.453749 0.064538 K\n0.302498 0.610994 0.546435 K\n0.636293 0.611896 0.547499 K\n0.969960 0.611981 0.547523 K\n0.767609 0.775176 0.280442 Ga\n0.435893 0.774781 0.280244 Ga\n0.101622 0.775397 0.279309 Ga\n0.661126 0.505561 0.225253 Ga\n0.326211 0.503989 0.224646 Ga\n0.992444 0.505292 0.224819 Ga\n0.822249 0.720661 0.496022 Ga\n0.487175 0.719530 0.494715 Ga\n0.155606 0.719722 0.494474 Ga\n0.899056 0.224823 0.719556 Ga\n0.565046 0.224604 0.720693 Ga\n0.230774 0.225219 0.719756 Ga\n0.005540 0.494439 0.774747 Ga\n0.674222 0.494708 0.775179 Ga\n0.340456 0.496011 0.775354 Ga\n0.844418 0.279340 0.503980 Ga\n0.511063 0.280279 0.505527 Ga\n0.179492 0.280470 0.505285 Ga\n0.785477 0.882716 0.228047 As\n0.454846 0.882450 0.227944 As\n0.120029 0.883437 0.226635 As\n0.572321 0.345595 0.117584 As\n0.236522 0.343278 0.116663 As\n0.902744 0.345325 0.117323 As\n0.893357 0.773334 0.656757 As\n0.557451 0.771921 0.654679 As\n0.226830 0.772044 0.654469 As\n0.881189 0.117286 0.771954 As\n0.546639 0.116566 0.773366 As\n0.211820 0.117547 0.772055 As\n0.094346 0.654402 0.882414 As\n0.763923 0.654676 0.882678 As\n0.430143 0.656723 0.883338 As\n0.773308 0.226666 0.343243 As\n0.439835 0.227957 0.345530 As\n0.109214 0.228078 0.345320 As\n0.844087 0.835072 0.446671 As\n0.510099 0.834606 0.446227 As\n0.177001 0.835097 0.445742 As\n0.675493 0.611629 0.165310 As\n0.341949 0.610680 0.164887 As\n0.009049 0.611625 0.164923 As\n0.731157 0.554254 0.389344 As\n0.397327 0.553333 0.388394 As\n0.063787 0.553765 0.388395 As\n0.822580 0.164927 0.553330 As\n0.489666 0.164903 0.554257 As\n0.156568 0.165394 0.553772 As\n0.991174 0.388369 0.834688 As\n0.657618 0.388376 0.835077 As\n0.324717 0.389320 0.835113 As\n0.935509 0.445746 0.610658 As\n0.602878 0.446234 0.611602 As\n0.269338 0.446666 0.611605 As\n0.833334 0.000005 -0.000000 As\n0.333331 0.000002 -0.000001 As\n",
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"elements": [
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"Ga",
"As"
],
"chemical_system": "As-Ga-K",
"density": 2.7147406310125035,
"density_atomic": 0.029411470055174808,
"volume": 3944.039511877114,
"volume_molar": 20.475483709935926,
"formula_full": "K60 Ga18 As38",
"formula_reduced": "K30Ga9As19",
"formula_anonymous": "A9B19C30",
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"updated_at": "2021-11-28T01:34:27.431000Z",
"spacegroup": 148
},
{
"id": "mp-559758",
"created_at": "2022-09-04T14:39:39.673285Z",
"structure_string": "Rb8 Ca4 V8 O28\n1.0\n6.079765 0.000000 0.000000\n0.000000 10.498591 0.000000\n0.000000 6.820204 13.747032\nRb Ca V O\n8 4 8 28\ndirect\n0.765183 0.973376 0.169310 Rb\n0.724990 0.500684 0.869786 Rb\n0.234817 0.026624 0.830690 Rb\n0.265183 0.026624 0.330690 Rb\n0.734817 0.973376 0.669310 Rb\n0.275010 0.499316 0.130214 Rb\n0.224990 0.499316 0.630214 Rb\n0.775010 0.500684 0.369786 Rb\n0.239600 0.229887 0.021663 Ca\n0.260400 0.229887 0.521663 Ca\n0.739600 0.770113 0.478337 Ca\n0.760400 0.770113 0.978337 Ca\n0.734310 0.337868 0.639069 V\n0.728440 0.173010 0.877767 V\n0.271560 0.826990 0.122233 V\n0.265690 0.662132 0.360931 V\n0.771560 0.173010 0.377767 V\n0.765690 0.337868 0.139069 V\n0.234310 0.662132 0.860931 V\n0.228440 0.826990 0.622233 V\n0.187055 0.681484 0.239876 O\n0.945982 0.270200 0.598241 O\n0.270382 0.985772 0.130067 O\n0.770382 0.014228 0.369933 O\n0.916396 0.176078 0.959631 O\n0.729618 0.014228 0.869933 O\n0.490212 0.251806 0.643571 O\n0.469184 0.211735 0.904255 O\n0.083604 0.823922 0.040369 O\n0.554018 0.270200 0.098241 O\n0.509788 0.748194 0.356429 O\n0.990212 0.748194 0.856429 O\n0.054018 0.729800 0.401759 O\n0.969184 0.788265 0.595745 O\n0.030816 0.211735 0.404255 O\n0.583604 0.176078 0.459631 O\n0.445982 0.729800 0.901759 O\n0.291986 0.482424 0.432746 O\n0.708014 0.517576 0.567254 O\n0.812945 0.318516 0.760124 O\n0.416396 0.823922 0.540369 O\n0.791986 0.517576 0.067254 O\n0.009788 0.251806 0.143571 O\n0.229618 0.985772 0.630067 O\n0.312945 0.681484 0.739876 O\n0.687055 0.318516 0.260124 O\n0.208014 0.482424 0.932746 O\n0.530816 0.788265 0.095745 O\n",
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"formula_full": "Rb8 Ca4 V8 O28",
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}
]
}