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{
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{
"id": "mp-1189259",
"created_at": "2022-09-04T14:48:13.168079Z",
"structure_string": "Rb4 Sb4 Se8\n1.0\n6.916541 0.000000 0.000000\n-1.745510 6.694138 0.000000\n-2.498936 -2.813862 12.320126\nRb Sb Se\n4 4 8\ndirect\n0.563832 0.324269 0.153674 Rb\n0.887845 0.718248 0.578506 Rb\n0.436168 0.675731 0.846326 Rb\n0.112155 0.281752 0.421494 Rb\n0.409368 0.810869 0.346217 Sb\n0.010267 0.212860 0.913232 Sb\n0.989733 0.787140 0.086768 Sb\n0.590632 0.189131 0.653783 Sb\n0.017422 0.759169 0.317302 Se\n0.982578 0.240831 0.682698 Se\n0.624149 0.205182 0.877596 Se\n0.575890 0.200876 0.410975 Se\n0.375851 0.794818 0.122404 Se\n0.424110 0.799124 0.589025 Se\n0.022502 0.176179 0.133004 Se\n0.977498 0.823821 0.866996 Se\n",
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"formula_full": "Rb4 Sb4 Se8",
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"spacegroup": 2
},
{
"id": "mp-1025710",
"created_at": "2022-09-04T14:39:21.049215Z",
"structure_string": "Te4 Mo1 W2 S2\n1.0\n1.710096 -2.961973 0.000000\n1.710096 2.961973 0.000000\n0.000000 0.000000 31.673628\nTe Mo W S\n4 1 2 2\ndirect\n0.333333 0.666667 0.056837 Te\n0.333333 0.666667 0.519157 Te\n0.333333 0.666667 0.174500 Te\n0.333333 0.666667 0.637465 Te\n0.000000 0.000000 0.115634 Mo\n0.000000 0.000000 0.578325 W\n0.333333 0.666667 0.346965 W\n0.000000 0.000000 0.394330 S\n0.000000 0.000000 0.299628 S\n",
"nsites": 9,
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"elements": [
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"Mo",
"W",
"S"
],
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"density": 5.372541908060795,
"density_atomic": 0.02804872442177894,
"volume": 320.8702065970525,
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"formula_full": "Te4 Mo1 W2 S2",
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"formula_anonymous": "AB2C2D4",
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"updated_at": "2021-11-28T01:34:26.764000Z",
"spacegroup": 156
},
{
"id": "mp-652621",
"created_at": "2022-09-04T14:40:20.033574Z",
"structure_string": "In40 Br56\n1.0\n9.465727 9.474597 0.000000\n-9.465727 9.474597 0.000000\n0.000000 4.774038 19.082124\nIn Br\n40 56\ndirect\n0.337898 0.176549 0.559462 In\n0.711872 0.194064 0.614802 In\n0.623743 0.769401 0.221992 In\n0.727740 0.889366 0.891342 In\n0.396693 0.269944 0.224747 In\n0.269944 0.396693 0.724747 In\n0.211471 0.880421 0.616098 In\n0.230222 0.050531 0.888062 In\n0.686277 0.203006 0.341888 In\n0.559615 0.465570 0.376930 In\n0.203006 0.686277 0.841888 In\n0.514087 0.193783 0.841499 In\n0.699916 0.282915 0.843120 In\n0.893012 0.503789 0.231352 In\n0.380775 0.622389 0.111840 In\n0.769401 0.623743 0.721992 In\n0.696325 0.122786 0.110041 In\n0.440821 0.000097 0.078295 In\n0.000097 0.440821 0.578295 In\n0.889366 0.727740 0.391342 In\n0.503789 0.893012 0.731352 In\n0.122786 0.696325 0.610041 In\n0.938927 0.849059 0.076442 In\n0.282915 0.699916 0.343120 In\n0.622389 0.380775 0.611841 In\n0.193783 0.514087 0.341499 In\n0.965608 0.393530 0.881426 In\n0.015782 0.774479 0.842351 In\n0.849059 0.938927 0.576442 In\n0.880421 0.211471 0.116098 In\n0.003588 0.127352 0.731403 In\n0.511829 0.673289 0.564784 In\n0.393530 0.965608 0.381426 In\n0.127352 0.003588 0.231403 In\n0.194064 0.711872 0.114802 In\n0.050531 0.230222 0.388062 In\n0.176549 0.337898 0.059462 In\n0.673289 0.511828 0.064784 In\n0.465570 0.559615 0.876930 In\n0.774479 0.015782 0.342351 In\n0.433862 0.181447 0.730630 Br\n0.069210 0.641980 0.046610 Br\n0.901804 0.403079 0.056039 Br\n0.995920 0.939319 0.899950 Br\n0.266242 0.360045 0.415367 Br\n0.666372 0.861643 0.415860 Br\n0.658913 0.784966 0.629987 Br\n0.934565 0.843765 0.732145 Br\n0.731198 0.535496 0.538204 Br\n0.403079 0.901804 0.556039 Br\n0.861643 0.666372 0.915860 Br\n0.065337 0.717830 0.231567 Br\n0.235868 0.117080 0.328530 Br\n0.827063 0.178642 0.909916 Br\n0.199399 0.490838 0.888896 Br\n0.740462 0.618303 0.328596 Br\n0.492357 0.001290 0.901244 Br\n0.059477 0.561368 0.724207 Br\n0.641980 0.069210 0.546610 Br\n0.338481 0.685069 0.727042 Br\n0.219451 0.961959 0.727106 Br\n0.832323 0.347557 0.727586 Br\n0.685069 0.338481 0.227042 Br\n0.572719 0.226022 0.040389 Br\n0.360045 0.266242 0.915367 Br\n0.906713 0.201456 0.563209 Br\n0.324704 0.756292 0.912673 Br\n0.843765 0.934565 0.232145 Br\n0.784966 0.658913 0.129987 Br\n0.158633 0.283635 0.628828 Br\n0.490838 0.199399 0.388896 Br\n0.347557 0.832323 0.227586 Br\n0.283635 0.158633 0.128828 Br\n0.939319 0.995920 0.399950 Br\n0.756292 0.324704 0.412673 Br\n0.140781 0.033508 0.539719 Br\n0.618303 0.740462 0.828596 Br\n0.178642 0.827063 0.409916 Br\n0.201456 0.906713 0.063209 Br\n0.695145 0.452803 0.893118 Br\n0.717830 0.065337 0.731567 Br\n0.181447 0.433862 0.230630 Br\n0.949719 0.705253 0.562941 Br\n0.961959 0.219451 0.227106 Br\n0.463036 0.401490 0.549240 Br\n0.401490 0.463036 0.049240 Br\n0.452803 0.695145 0.393118 Br\n0.226022 0.572719 0.540389 Br\n0.535496 0.731198 0.038204 Br\n0.561368 0.059477 0.224207 Br\n0.705253 0.949719 0.062941 Br\n0.462806 0.554182 0.222323 Br\n0.033508 0.140781 0.039719 Br\n0.554182 0.462806 0.722323 Br\n0.001290 0.492357 0.401244 Br\n0.117080 0.235868 0.828530 Br\n",
"nsites": 96,
"nelements": 2,
"elements": [
"In",
"Br"
],
"chemical_system": "Br-In",
"density": 4.3990384636108475,
"density_atomic": 0.02804786461376855,
"volume": 3422.7204574024545,
"volume_molar": 21.47094205896788,
"formula_full": "In40 Br56",
"formula_reduced": "In5Br7",
"formula_anonymous": "A5B7",
"energy": -301.84838745,
"energy_per_atom": -3.1442540359375,
"energy_above_hull": null,
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"energy_uncorrected": -271.94438745,
"band_gap": 2.1487,
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"is_magnetic": false,
"total_magnetization": 0.4320688,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.640000Z",
"spacegroup": 9
},
{
"id": "mp-1209970",
"created_at": "2022-09-04T14:48:31.405205Z",
"structure_string": "Nd8 Ir2\n1.0\n-5.628043 -5.628043 0.000000\n-5.628043 0.000000 -5.628043\n0.000000 -5.628043 -5.628043\nNd Ir\n8 2\ndirect\n0.611827 0.611827 0.611827 Nd\n0.164519 0.611827 0.611827 Nd\n0.611827 0.164519 0.611827 Nd\n0.585481 0.138173 0.138173 Nd\n0.138173 0.138173 0.138173 Nd\n0.611827 0.611827 0.164519 Nd\n0.138173 0.585481 0.138173 Nd\n0.138173 0.138173 0.585481 Nd\n0.000000 0.000000 0.000000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Nd",
"Ir"
],
"chemical_system": "Ir-Nd",
"density": 7.164859576364942,
"density_atomic": 0.02804773423130626,
"volume": 356.53503835750917,
"volume_molar": 21.471041868609195,
"formula_full": "Nd8 Ir2",
"formula_reduced": "Nd4Ir",
"formula_anonymous": "AB4",
"energy": -54.56638193,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:58.290000Z",
"spacegroup": 227
},
{
"id": "mp-9263",
"created_at": "2022-09-04T14:46:35.956924Z",
"structure_string": "K1 Er1 Te2\n1.0\n8.345229 -2.234582 0.000000\n8.345229 2.234582 0.000000\n7.746880 0.000000 3.823878\nK Er Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Er\n0.264447 0.264447 0.264447 Te\n0.735553 0.735553 0.735553 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Er",
"Te"
],
"chemical_system": "Er-K-Te",
"density": 5.37410495093269,
"density_atomic": 0.028047322821858723,
"volume": 142.61610726292187,
"volume_molar": 21.471356814514344,
"formula_full": "K1 Er1 Te2",
"formula_reduced": "KErTe2",
"formula_anonymous": "ABC2",
"energy": -18.30528316,
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"band_gap": 1.3304000000000005,
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"updated_at": "2021-11-28T01:37:38.503000Z",
"spacegroup": 166
},
{
"id": "mp-1200444",
"created_at": "2022-09-04T14:43:04.910225Z",
"structure_string": "Ba32 Si24 Sn4\n1.0\n8.826677 0.000000 0.000000\n0.000000 8.834765 0.000000\n0.000000 0.000000 27.433037\nBa Si Sn\n32 24 4\ndirect\n0.179586 0.550252 0.413840 Ba\n0.320414 0.949748 0.913840 Ba\n0.320414 0.050252 0.586160 Ba\n0.179586 0.449748 0.086160 Ba\n0.820414 0.449748 0.586160 Ba\n0.679586 0.050252 0.086160 Ba\n0.679586 0.949748 0.413840 Ba\n0.820414 0.550252 0.913840 Ba\n0.491517 0.685365 0.185863 Ba\n0.008483 0.814635 0.685863 Ba\n0.008483 0.185365 0.814137 Ba\n0.491517 0.314635 0.314137 Ba\n0.508483 0.314635 0.814137 Ba\n0.991517 0.185365 0.314137 Ba\n0.991517 0.814635 0.185863 Ba\n0.508483 0.685365 0.685863 Ba\n0.493198 0.711785 0.021835 Ba\n0.006802 0.788215 0.521835 Ba\n0.006802 0.211785 0.978165 Ba\n0.493198 0.288215 0.478165 Ba\n0.506802 0.288215 0.978165 Ba\n0.993198 0.211785 0.478165 Ba\n0.993198 0.788215 0.021835 Ba\n0.506802 0.711785 0.521835 Ba\n0.369562 0.825268 0.324828 Ba\n0.130438 0.674732 0.824828 Ba\n0.130438 0.325268 0.675172 Ba\n0.369562 0.174732 0.175172 Ba\n0.630438 0.174732 0.675172 Ba\n0.869562 0.325268 0.175172 Ba\n0.869562 0.674732 0.324828 Ba\n0.630438 0.825268 0.824828 Ba\n0.267545 0.868638 0.107668 Si\n0.232455 0.631362 0.607668 Si\n0.232455 0.368638 0.892332 Si\n0.267545 0.131362 0.392332 Si\n0.732455 0.131362 0.892332 Si\n0.767545 0.368638 0.392332 Si\n0.767545 0.631362 0.107668 Si\n0.732455 0.868638 0.607668 Si\n0.292860 0.059919 0.045960 Si\n0.207140 0.440081 0.545960 Si\n0.207140 0.559919 0.954040 Si\n0.292860 0.940081 0.454040 Si\n0.707140 0.940081 0.954040 Si\n0.792860 0.559919 0.454040 Si\n0.792860 0.440081 0.045960 Si\n0.707140 0.059919 0.545960 Si\n0.076482 0.070062 0.100608 Si\n0.423518 0.429938 0.600608 Si\n0.423518 0.570062 0.899392 Si\n0.076482 0.929938 0.399392 Si\n0.923518 0.929938 0.899392 Si\n0.576482 0.570062 0.399392 Si\n0.576482 0.429938 0.100608 Si\n0.923518 0.070062 0.600608 Si\n0.174025 0.500000 0.250000 Sn\n0.325975 0.000000 0.750000 Sn\n0.825975 0.500000 0.750000 Sn\n0.674025 0.000000 0.250000 Sn\n",
"nsites": 60,
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"elements": [
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"Si",
"Sn"
],
"chemical_system": "Ba-Si-Sn",
"density": 4.302845397912483,
"density_atomic": 0.028046916702122615,
"volume": 2139.272585191482,
"volume_molar": 21.47166772005366,
"formula_full": "Ba32 Si24 Sn4",
"formula_reduced": "Ba8Si6Sn",
"formula_anonymous": "AB6C8",
"energy": -235.0179549,
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"updated_at": "2021-11-28T01:36:05.413000Z",
"spacegroup": 60
},
{
"id": "mp-1226409",
"created_at": "2022-09-04T14:40:11.353230Z",
"structure_string": "Cs6 Cl10 O2\n1.0\n5.177111 -8.967020 0.000000\n5.177111 8.967020 0.000000\n0.000000 0.000000 6.912427\nCs Cl O\n6 10 2\ndirect\n0.987634 0.629694 0.750849 Cs\n0.642060 0.012366 0.750849 Cs\n0.370306 0.357940 0.750849 Cs\n0.012366 0.370306 0.250849 Cs\n0.357940 0.987634 0.250849 Cs\n0.629694 0.642060 0.250849 Cs\n0.333333 0.666667 0.941807 Cl\n0.666667 0.333333 0.441807 Cl\n0.666667 0.333333 0.057068 Cl\n0.333333 0.666667 0.557068 Cl\n0.005549 0.238863 0.761324 Cl\n0.233314 0.994451 0.761324 Cl\n0.761137 0.766686 0.761324 Cl\n0.994451 0.761137 0.261324 Cl\n0.766686 0.005549 0.261324 Cl\n0.238863 0.233314 0.261324 Cl\n0.000000 0.000000 0.854472 O\n0.000000 0.000000 0.354472 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cs",
"Cl",
"O"
],
"chemical_system": "Cl-Cs-O",
"density": 3.0633069296574242,
"density_atomic": 0.02804634916795149,
"volume": 641.7947623845661,
"volume_molar": 21.472102211725613,
"formula_full": "Cs6 Cl10 O2",
"formula_reduced": "Cs3Cl5O",
"formula_anonymous": "AB3C5",
"energy": -52.09253985,
"energy_per_atom": -2.8940299916666667,
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"updated_at": "2021-11-28T01:34:56.161000Z",
"spacegroup": 173
},
{
"id": "mp-1211220",
"created_at": "2022-09-04T14:43:20.733960Z",
"structure_string": "Mg3 H12 Se1 O9\n1.0\n8.910554 0.000000 0.000000\n1.273685 10.191565 0.000000\n4.074262 0.190310 9.815681\nMg H Se O\n3 12 1 9\ndirect\n0.898853 0.439915 0.956497 Mg\n0.992916 0.998203 0.480451 Mg\n0.484864 0.008579 0.510582 Mg\n0.921008 0.269165 0.092867 H\n0.869855 0.188035 0.793402 H\n0.698499 0.101865 0.153615 H\n0.515813 0.081012 0.191305 H\n0.696994 0.477064 0.206855 H\n0.967991 0.197393 0.639802 H\n0.541056 0.285719 0.286730 H\n0.933228 0.376389 0.726453 H\n0.578001 0.129169 0.976911 H\n0.540237 0.312848 0.428598 H\n0.945305 0.538047 0.700111 H\n0.664889 0.029073 0.865774 H\n0.014221 0.062019 0.975303 Se\n0.922213 0.048126 0.866964 O\n0.885353 0.030879 0.133210 O\n0.978335 0.258886 0.993534 O\n0.520941 0.356891 0.351350 O\n0.953703 0.465359 0.760833 O\n0.564699 0.088554 0.901300 O\n0.796888 0.494134 0.130856 O\n0.886999 0.251208 0.713732 O\n0.589050 0.149560 0.162965 O\n",
"nsites": 25,
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"elements": [
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"H",
"Se",
"O"
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"density": 0.5736992331118407,
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"volume": 891.3864353747317,
"volume_molar": 21.472218341525114,
"formula_full": "Mg3 H12 Se1 O9",
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"formula_anonymous": "AB3C9D12",
"energy": -119.2203464,
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"updated_at": "2021-11-28T01:36:07.989000Z",
"spacegroup": 1
},
{
"id": "mp-1202504",
"created_at": "2022-09-04T14:41:15.358768Z",
"structure_string": "Rb28 Na4 Si32\n1.0\n13.165460 0.000000 0.000000\n0.000000 13.165460 0.000000\n0.000000 0.000000 13.165460\nRb Na Si\n28 4 32\ndirect\n0.226055 0.685704 0.457088 Rb\n0.773945 0.185704 0.042912 Rb\n0.273945 0.314296 0.957088 Rb\n0.726055 0.814296 0.542912 Rb\n0.457088 0.226055 0.685704 Rb\n0.042912 0.773945 0.185704 Rb\n0.957088 0.273945 0.314296 Rb\n0.542912 0.726055 0.814296 Rb\n0.685704 0.457088 0.226055 Rb\n0.185704 0.042912 0.773945 Rb\n0.314296 0.957088 0.273945 Rb\n0.814296 0.542912 0.726055 Rb\n0.773945 0.314296 0.542912 Rb\n0.226055 0.814296 0.957088 Rb\n0.726055 0.685704 0.042912 Rb\n0.273945 0.185704 0.457088 Rb\n0.542912 0.773945 0.314296 Rb\n0.957088 0.226055 0.814296 Rb\n0.042912 0.726055 0.685704 Rb\n0.457088 0.273945 0.185704 Rb\n0.314296 0.542912 0.773945 Rb\n0.814296 0.957088 0.226055 Rb\n0.685704 0.042912 0.726055 Rb\n0.185704 0.457088 0.273945 Rb\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.300897 0.699103 0.199103 Si\n0.699103 0.199103 0.300897 Si\n0.199103 0.300897 0.699103 Si\n0.800897 0.800897 0.800897 Si\n0.699103 0.300897 0.800897 Si\n0.300897 0.800897 0.699103 Si\n0.800897 0.699103 0.300897 Si\n0.199103 0.199103 0.199103 Si\n0.422500 0.561551 0.201966 Si\n0.577500 0.061551 0.298034 Si\n0.077500 0.438449 0.701966 Si\n0.922500 0.938449 0.798034 Si\n0.201966 0.422500 0.561551 Si\n0.298034 0.577500 0.061551 Si\n0.701966 0.077500 0.438449 Si\n0.798034 0.922500 0.938449 Si\n0.561551 0.201966 0.422500 Si\n0.061551 0.298034 0.577500 Si\n0.438449 0.701966 0.077500 Si\n0.938449 0.798034 0.922500 Si\n0.577500 0.438449 0.798034 Si\n0.422500 0.938449 0.701966 Si\n0.922500 0.561551 0.298034 Si\n0.077500 0.061551 0.201966 Si\n0.798034 0.577500 0.438449 Si\n0.701966 0.422500 0.938449 Si\n0.298034 0.922500 0.561551 Si\n0.201966 0.077500 0.061551 Si\n0.438449 0.798034 0.577500 Si\n0.938449 0.701966 0.422500 Si\n0.561551 0.298034 0.922500 Si\n0.061551 0.201966 0.077500 Si\n",
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"elements": [
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],
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"density": 2.4623219276454686,
"density_atomic": 0.02804606009222179,
"volume": 2281.960453252739,
"volume_molar": 21.472323528502177,
"formula_full": "Rb28 Na4 Si32",
"formula_reduced": "Rb7NaSi8",
"formula_anonymous": "AB7C8",
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"energy_uncorrected": -209.56980634,
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"total_magnetization": 5.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.204000Z",
"spacegroup": 205
},
{
"id": "mp-1112490",
"created_at": "2022-09-04T14:44:04.948034Z",
"structure_string": "Cs2 Tl1 In1 Cl6\n1.0\n0.000000 5.628159 5.628159\n5.628159 0.000000 5.628159\n5.628159 5.628159 0.000000\nCs Tl In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.773022 0.226978 0.226978 Cl\n0.226978 0.226978 0.773022 Cl\n0.226978 0.773022 0.773022 Cl\n0.226978 0.773022 0.226978 Cl\n0.773022 0.226978 0.773022 Cl\n0.773022 0.773022 0.226978 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Tl",
"In",
"Cl"
],
"chemical_system": "Cl-Cs-In-Tl",
"density": 3.7151475192249466,
"density_atomic": 0.02804600002117798,
"volume": 356.55708452003284,
"volume_molar": 21.472369519548543,
"formula_full": "Cs2 Tl1 In1 Cl6",
"formula_reduced": "Cs2TlInCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.52978592,
"energy_per_atom": -3.652978592,
"energy_above_hull": null,
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"energy_uncorrected": -32.84578592,
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"updated_at": "2021-11-28T01:36:36.855000Z",
"spacegroup": 225
},
{
"id": "mp-1039531",
"created_at": "2022-09-04T14:46:38.728450Z",
"structure_string": "Ca4 Mg2\n1.0\n1.852767 6.977367 0.000000\n-1.852767 6.977367 0.000000\n0.000000 2.010144 8.274782\nCa Mg\n4 2\ndirect\n0.007498 0.007498 0.009184 Ca\n0.335322 0.335322 0.344716 Ca\n0.653322 0.653322 0.653934 Ca\n0.280248 0.280248 0.939028 Ca\n0.613497 0.613497 0.275621 Mg\n0.943446 0.943446 0.610851 Mg\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ca-Mg",
"density": 1.62156492448412,
"density_atomic": 0.02804479824076971,
"volume": 213.94341825849148,
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"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
"energy": -11.01942539,
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"updated_at": "2021-11-28T01:37:40.136000Z",
"spacegroup": 8
},
{
"id": "mp-1212556",
"created_at": "2022-09-04T14:40:34.907720Z",
"structure_string": "K8 Co4 Br16\n1.0\n0.000000 -7.667523 0.000000\n-9.791350 0.000000 0.000000\n0.000000 0.000000 -13.299106\nK Co Br\n8 4 16\ndirect\n0.750000 0.515023 0.321298 K\n0.250000 0.484977 0.678702 K\n0.250000 0.984977 0.821298 K\n0.750000 0.015023 0.178702 K\n0.750000 0.845696 0.582505 K\n0.250000 0.154304 0.417495 K\n0.250000 0.654304 0.082505 K\n0.750000 0.345696 0.917495 K\n0.750000 0.769919 0.923599 Co\n0.250000 0.230081 0.076401 Co\n0.250000 0.730081 0.423599 Co\n0.750000 0.269919 0.576401 Co\n0.005568 0.684999 0.842515 Br\n0.994432 0.315001 0.157485 Br\n0.994432 0.815001 0.342515 Br\n0.505568 0.315001 0.157485 Br\n0.005568 0.184999 0.657485 Br\n0.494432 0.684999 0.842515 Br\n0.494432 0.184999 0.657485 Br\n0.505568 0.815001 0.342515 Br\n0.750000 0.014331 0.918910 Br\n0.250000 0.985669 0.081090 Br\n0.250000 0.485669 0.418910 Br\n0.750000 0.514331 0.581090 Br\n0.750000 0.186284 0.406844 Br\n0.250000 0.813716 0.593156 Br\n0.250000 0.313716 0.906844 Br\n0.750000 0.686284 0.093156 Br\n",
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"elements": [
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],
"chemical_system": "Br-Co-K",
"density": 3.0385300555145287,
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"volume": 998.4357202276796,
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"formula_full": "K8 Co4 Br16",
"formula_reduced": "K2CoBr4",
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"updated_at": "2021-11-28T01:34:59.224000Z",
"spacegroup": 62
}
]
}