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{
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"results": [
{
"id": "mp-14797",
"created_at": "2022-09-04T14:47:39.963766Z",
"structure_string": "Rb2 Pt4 Se6\n1.0\n7.227000 -3.777777 0.000000\n7.227000 3.777777 0.000000\n5.252239 0.000000 6.238197\nRb Pt Se\n2 4 6\ndirect\n0.800452 0.800452 0.800452 Rb\n0.199548 0.199548 0.199548 Rb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n0.769630 0.769630 0.282886 Se\n0.282886 0.769630 0.769630 Se\n0.769630 0.282886 0.769630 Se\n0.717114 0.230370 0.230370 Se\n0.230370 0.230370 0.717114 Se\n0.230370 0.717114 0.230370 Se\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Pt-Rb-Se",
"density": 6.9468854600062535,
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"volume": 340.63043885818934,
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"formula_full": "Rb2 Pt4 Se6",
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"spacegroup": 166
},
{
"id": "mp-4941",
"created_at": "2022-09-04T14:47:57.492564Z",
"structure_string": "Sr4 Sn2 O8\n1.0\n2.899967 -6.290473 0.000000\n2.899967 6.290473 0.000000\n0.000000 0.000000 5.919036\nSr Sn O\n4 2 8\ndirect\n0.147216 0.852784 0.485404 Sr\n0.852784 0.147216 0.514596 Sr\n0.352784 0.647216 0.985404 Sr\n0.647216 0.352784 0.014596 Sr\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.336821 0.663179 0.557197 O\n0.663179 0.336821 0.442803 O\n0.163179 0.836821 0.057197 O\n0.836821 0.163179 0.942803 O\n0.228352 0.271648 0.250000 O\n0.271648 0.228352 0.750000 O\n0.728352 0.771648 0.250000 O\n0.771648 0.728352 0.750000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Sn",
"O"
],
"chemical_system": "O-Sn-Sr",
"density": 5.504795786656763,
"density_atomic": 0.06482920563130103,
"volume": 215.95205222197694,
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"formula_full": "Sr4 Sn2 O8",
"formula_reduced": "Sr2SnO4",
"formula_anonymous": "AB2C4",
"energy": -93.33707028,
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"updated_at": "2021-11-28T01:38:20.656000Z",
"spacegroup": 64
},
{
"id": "mp-1190459",
"created_at": "2022-09-04T14:47:57.842366Z",
"structure_string": "Na2 As2 O12\n1.0\n0.000000 -4.603540 0.000000\n-6.237031 0.000000 -0.093254\n-1.137323 0.000000 -8.565383\nNa As O\n2 2 12\ndirect\n0.088294 0.734326 0.049460 Na\n0.588294 0.265674 0.950540 Na\n0.358166 0.865028 0.426723 As\n0.858166 0.134972 0.573277 As\n0.309690 0.948795 0.219483 O\n0.809690 0.051205 0.780517 O\n0.488472 0.108541 0.504024 O\n0.988472 0.891459 0.495976 O\n0.105319 0.296891 0.053825 O\n0.605319 0.703109 0.946175 O\n0.016529 0.121152 0.145329 O\n0.516529 0.878848 0.854671 O\n0.103150 0.508204 0.758411 O\n0.603150 0.491796 0.241589 O\n0.864380 0.493791 0.284325 O\n0.364380 0.506209 0.715675 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"As",
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],
"chemical_system": "As-Na-O",
"density": 2.623739751825297,
"density_atomic": 0.06518781652629503,
"volume": 245.44463755042366,
"volume_molar": 9.238138475723956,
"formula_full": "Na2 As2 O12",
"formula_reduced": "NaAsO6",
"formula_anonymous": "ABC6",
"energy": -82.2534948,
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"energy_above_hull": null,
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"energy_uncorrected": -80.3214948,
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"updated_at": "2021-11-28T01:38:12.092000Z",
"spacegroup": 4
},
{
"id": "mp-1180644",
"created_at": "2022-09-04T14:47:39.868019Z",
"structure_string": "Li4 Sn2 O12\n1.0\n5.739224 0.000000 0.000000\n0.000000 3.712031 0.000000\n0.000000 3.067156 9.980087\nLi Sn O\n4 2 12\ndirect\n0.497756 0.487892 0.149057 Li\n0.002244 0.487892 0.649057 Li\n0.502244 0.512108 0.850943 Li\n0.997756 0.512108 0.350943 Li\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.599677 0.460675 0.336751 O\n0.900323 0.460675 0.836751 O\n0.400323 0.539325 0.663249 O\n0.099677 0.539325 0.163249 O\n0.800771 0.726369 0.466520 O\n0.699229 0.726369 0.966520 O\n0.199229 0.273631 0.533480 O\n0.300771 0.273631 0.033480 O\n0.296965 0.785298 0.369722 O\n0.203035 0.785298 0.869722 O\n0.703035 0.214702 0.630278 O\n0.796965 0.214702 0.130278 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Sn",
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],
"chemical_system": "Li-O-Sn",
"density": 3.57054231096085,
"density_atomic": 0.08465905336498004,
"volume": 212.61754395479525,
"volume_molar": 7.113404320784801,
"formula_full": "Li4 Sn2 O12",
"formula_reduced": "Li2SnO6",
"formula_anonymous": "AB2C6",
"energy": -92.71721026,
"energy_per_atom": -5.150956125555556,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:14.233000Z",
"spacegroup": 14
},
{
"id": "mp-6208",
"created_at": "2022-09-04T14:47:39.887028Z",
"structure_string": "Ca4 Be2 Si4 O14\n1.0\n7.485009 0.000000 0.000000\n0.000000 7.485009 0.000000\n0.000000 0.000000 5.043979\nCa Be Si O\n4 2 4 14\ndirect\n0.835567 0.664433 0.514552 Ca\n0.335567 0.835567 0.485448 Ca\n0.664433 0.164433 0.485448 Ca\n0.164433 0.335567 0.514552 Ca\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.647319 0.852681 0.961393 Si\n0.147319 0.647319 0.038607 Si\n0.852681 0.352681 0.038607 Si\n0.352681 0.147319 0.961393 Si\n0.164471 0.086774 0.819804 O\n0.835529 0.913226 0.819804 O\n0.913226 0.164471 0.180196 O\n0.086774 0.835529 0.180196 O\n0.664471 0.413226 0.180196 O\n0.586774 0.664471 0.819804 O\n0.413226 0.335529 0.819804 O\n0.335529 0.586774 0.180196 O\n0.500000 0.000000 0.833323 O\n0.000000 0.500000 0.166677 O\n0.359854 0.140146 0.281941 O\n0.859854 0.359854 0.718059 O\n0.140146 0.640146 0.718059 O\n0.640146 0.859854 0.281941 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Be",
"Si",
"O"
],
"chemical_system": "Be-Ca-O-Si",
"density": 3.024266074109632,
"density_atomic": 0.08492847350357366,
"volume": 282.59073794597424,
"volume_molar": 7.0908383390955425,
"formula_full": "Ca4 Be2 Si4 O14",
"formula_reduced": "Ca2BeSi2O7",
"formula_anonymous": "AB2C2D7",
"energy": -187.83805211,
"energy_per_atom": -7.826585504583334,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:13.972000Z",
"spacegroup": 113
},
{
"id": "mp-733840",
"created_at": "2022-09-04T14:47:44.908317Z",
"structure_string": "Ga2 H24 N6 O6 F12\n1.0\n6.608008 0.000000 0.000000\n2.657372 6.877609 0.000000\n2.017520 0.025934 9.946316\nGa H N O F\n2 24 6 6 12\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.365569 0.198842 0.893102 H\n0.634431 0.801158 0.106898 H\n0.435314 0.389465 0.815582 H\n0.564686 0.610535 0.184418 H\n0.612492 0.222679 0.900448 H\n0.387508 0.777321 0.099552 H\n0.245958 0.543832 0.990743 H\n0.754042 0.456168 0.009257 H\n0.770215 0.661935 0.672300 H\n0.229785 0.338065 0.327700 H\n0.974445 0.731039 0.710447 H\n0.025555 0.268961 0.289553 H\n0.787437 0.680544 0.836089 H\n0.212563 0.319456 0.163911 H\n0.154453 0.428550 0.681500 H\n0.845547 0.571450 0.318500 H\n0.681541 0.888162 0.345732 H\n0.318459 0.111838 0.654268 H\n0.909593 0.950238 0.286007 H\n0.090407 0.049762 0.713993 H\n0.669858 0.119525 0.367839 H\n0.330142 0.880475 0.632161 H\n0.986194 0.813684 0.474445 H\n0.013806 0.186316 0.525555 H\n0.445262 0.299883 0.898931 N\n0.554738 0.700117 0.101069 N\n0.877878 0.646615 0.738257 N\n0.122122 0.353385 0.261743 N\n0.771485 0.971153 0.363692 N\n0.228515 0.028847 0.636308 N\n0.341914 0.406604 0.019250 O\n0.658086 0.593396 0.980750 O\n0.011419 0.449005 0.746845 O\n0.988581 0.550995 0.253155 O\n0.832918 0.916040 0.490822 O\n0.167082 0.083960 0.509178 O\n0.876815 0.059574 0.836624 F\n0.123185 0.940426 0.163376 F\n0.735733 0.962729 0.096605 F\n0.264267 0.037271 0.903395 F\n0.875127 0.268901 0.055851 F\n0.124873 0.731099 0.944149 F\n0.587820 0.677658 0.369679 F\n0.412180 0.322342 0.630321 F\n0.808318 0.354269 0.490462 F\n0.191682 0.645731 0.509538 F\n0.498106 0.345936 0.355581 F\n0.501894 0.654064 0.644419 F\n",
"nsites": 50,
"nelements": 5,
"elements": [
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"H",
"N",
"O",
"F"
],
"chemical_system": "F-Ga-H-N-O",
"density": 2.0999649588363134,
"density_atomic": 0.11061135418405019,
"volume": 452.03316032821743,
"volume_molar": 5.444414639368346,
"formula_full": "Ga2 H24 N6 O6 F12",
"formula_reduced": "GaH12N3(OF2)3",
"formula_anonymous": "AB3C3D6E12",
"energy": -255.10769558,
"energy_per_atom": -5.1021539116,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:20.335000Z",
"spacegroup": 2
},
{
"id": "mp-5454",
"created_at": "2022-09-04T14:47:45.274097Z",
"structure_string": "Er3 Cu4 Si4\n1.0\n-2.056147 3.256579 6.796182\n2.056147 -3.256579 6.796182\n2.056147 3.256579 -6.796182\nEr Cu Si\n3 4 4\ndirect\n0.871670 0.871670 0.000000 Er\n0.128330 0.128330 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.522974 0.331730 0.191244 Cu\n0.859514 0.668270 0.191244 Cu\n0.140486 0.331730 0.808756 Cu\n0.477026 0.668270 0.808756 Cu\n0.815276 0.500000 0.315276 Si\n0.184724 0.500000 0.684724 Si\n0.284287 0.784287 0.500000 Si\n0.715713 0.215713 0.500000 Si\n",
"nsites": 11,
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"elements": [
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"Cu",
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],
"chemical_system": "Cu-Er-Si",
"density": 7.920992983325923,
"density_atomic": 0.060429905451380654,
"volume": 182.02907844775854,
"volume_molar": 9.965497571140768,
"formula_full": "Er3 Cu4 Si4",
"formula_reduced": "Er3(CuSi)4",
"formula_anonymous": "A3B4C4",
"energy": -58.53994856999999,
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"updated_at": "2021-11-28T01:38:18.105000Z",
"spacegroup": 71
},
{
"id": "mp-1105776",
"created_at": "2022-09-04T14:47:45.285126Z",
"structure_string": "Rb4 Mn6 S8\n1.0\n-6.083005 0.000000 0.000000\n-3.041502 -5.714242 6.875199\n-3.041502 5.714242 6.875199\nRb Mn S\n4 6 8\ndirect\n0.736863 0.378533 0.621467 Rb\n0.263137 0.621467 0.378533 Rb\n0.763137 0.878533 0.121467 Rb\n0.236863 0.121467 0.878533 Rb\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.250000 0.525596 0.974404 Mn\n0.250000 0.974404 0.525596 Mn\n0.750000 0.474404 0.025596 Mn\n0.750000 0.025596 0.474404 Mn\n0.566635 0.285744 0.016941 S\n0.130680 0.016941 0.285744 S\n0.933365 0.483059 0.214256 S\n0.369320 0.214256 0.483059 S\n0.433365 0.714256 0.983059 S\n0.869320 0.983059 0.714256 S\n0.066635 0.516941 0.785744 S\n0.630680 0.785744 0.516941 S\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Mn-Rb-S",
"density": 3.2241416515324754,
"density_atomic": 0.037660010249947765,
"volume": 477.96057092217507,
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"formula_full": "Rb4 Mn6 S8",
"formula_reduced": "Rb2Mn3S4",
"formula_anonymous": "A2B3C4",
"energy": -110.10062283,
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"updated_at": "2021-11-28T01:38:18.766000Z",
"spacegroup": 72
},
{
"id": "mp-6402",
"created_at": "2022-09-04T14:47:37.049129Z",
"structure_string": "Na4 Zn2 Ge2 O8\n1.0\n5.680003 0.000000 0.000000\n0.000000 5.427784 0.000000\n0.000000 5.443408 7.201115\nNa Zn Ge O\n4 2 2 8\ndirect\n0.178046 0.496463 0.996575 Na\n0.675914 0.238760 0.251838 Na\n0.821954 0.496463 0.496575 Na\n0.324086 0.238760 0.751838 Na\n0.812928 0.999472 0.002041 Zn\n0.187072 0.999472 0.502041 Zn\n0.314329 0.755737 0.249381 Ge\n0.685671 0.755737 0.749381 Ge\n0.705695 0.056638 0.774732 O\n0.294305 0.056638 0.274732 O\n0.204538 0.409198 0.455448 O\n0.795462 0.409198 0.955448 O\n0.152870 0.872856 0.046283 O\n0.382993 0.696876 0.723702 O\n0.617007 0.696876 0.223702 O\n0.847130 0.872856 0.546283 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Ge-Na-O-Zn",
"density": 3.7102713852034173,
"density_atomic": 0.072069102641975,
"volume": 222.00914696391914,
"volume_molar": 8.356064581401549,
"formula_full": "Na4 Zn2 Ge2 O8",
"formula_reduced": "Na2ZnGeO4",
"formula_anonymous": "ABC2D4",
"energy": -89.80330203,
"energy_per_atom": -5.612706376875,
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"spacegroup": 7
},
{
"id": "mp-2566",
"created_at": "2022-09-04T14:47:57.845572Z",
"structure_string": "Pu1 Sb1\n1.0\n0.000000 3.134345 3.134345\n3.134345 0.000000 3.134345\n3.134345 3.134345 0.000000\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
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"updated_at": "2021-11-28T01:38:21.476000Z",
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{
"id": "mp-1079093",
"created_at": "2022-09-04T14:47:37.168334Z",
"structure_string": "Tm3 Si3 Ag3\n1.0\n3.505635 -6.071938 0.000000\n3.505635 6.071938 0.000000\n0.000000 0.000000 4.135553\nTm Si Ag\n3 3 3\ndirect\n0.418674 0.418674 0.500000 Tm\n0.581326 0.000000 0.500000 Tm\n0.000000 0.581326 0.500000 Tm\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.748204 0.748204 0.000000 Ag\n0.251796 0.000000 0.000000 Ag\n0.000000 0.251796 0.000000 Ag\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Ag-Si-Tm",
"density": 8.626863853572777,
"density_atomic": 0.051119300002605735,
"volume": 176.058748839308,
"volume_molar": 11.780561861553329,
"formula_full": "Tm3 Si3 Ag3",
"formula_reduced": "TmSiAg",
"formula_anonymous": "ABC",
"energy": -43.28119174,
"energy_per_atom": -4.809021304444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.49419174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028345,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.571000Z",
"spacegroup": 189
},
{
"id": "mp-614489",
"created_at": "2022-09-04T14:47:57.849091Z",
"structure_string": "Gd1 In1 Cu2\n1.0\n0.000000 3.338077 3.338077\n3.338077 0.000000 3.338077\n3.338077 3.338077 0.000000\nGd In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"In",
"Cu"
],
"chemical_system": "Cu-Gd-In",
"density": 8.909986880078243,
"density_atomic": 0.05377011241620123,
"volume": 74.39076877947494,
"volume_molar": 11.199792020865287,
"formula_full": "Gd1 In1 Cu2",
"formula_reduced": "GdInCu2",
"formula_anonymous": "ABC2",
"energy": -21.05745181,
"energy_per_atom": -5.2643629525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.05745181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2529959,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.868000Z",
"spacegroup": 225
}
]
}