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{
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{
"id": "mp-857359",
"created_at": "2022-09-04T14:46:29.450143Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.155624 -0.464772 -0.000099\n0.243839 10.452469 -0.000673\n-0.000163 -0.000398 5.882333\nLi Mn P O\n4 4 4 16\ndirect\n0.217470 0.975107 0.656242 Li\n0.282708 0.524815 0.156505 Li\n0.717622 0.475093 0.843708 Li\n0.782527 0.024905 0.343503 Li\n0.284801 0.828751 0.100348 Mn\n0.784596 0.328850 0.399688 Mn\n0.215438 0.671125 0.600386 Mn\n0.715407 0.171146 0.899604 Mn\n0.245330 0.387432 0.673575 P\n0.254634 0.112601 0.173337 P\n0.745380 0.887397 0.826464 P\n0.754624 0.612591 0.326623 P\n0.000719 0.818545 0.795026 O\n0.500653 0.318578 0.705029 O\n0.499288 0.681443 0.295070 O\n0.999312 0.181465 0.204919 O\n0.003848 0.696338 0.265121 O\n0.503875 0.196329 0.234991 O\n0.496124 0.803634 0.764970 O\n0.996041 0.303701 0.735033 O\n0.210847 0.428170 0.424058 O\n0.289116 0.072021 0.923733 O\n0.710835 0.928124 0.075993 O\n0.789006 0.571917 0.576173 O\n0.268465 0.510331 0.827523 O\n0.231421 0.989644 0.327100 O\n0.768530 0.010283 0.672543 O\n0.731384 0.489661 0.172734 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "mp-559311",
"created_at": "2022-09-04T14:46:29.391849Z",
"structure_string": "Rb8 Mn8 V8 O32\n1.0\n5.754227 -9.966613 0.000000\n5.754227 9.966613 0.000000\n0.000000 0.000000 9.208440\nRb Mn V O\n8 8 8 32\ndirect\n0.000000 0.000000 0.386207 Rb\n0.000000 0.000000 0.886207 Rb\n0.472525 0.517354 0.400535 Rb\n0.955171 0.472525 0.900535 Rb\n0.482646 0.955171 0.400535 Rb\n0.527475 0.482646 0.900535 Rb\n0.044829 0.527475 0.400535 Rb\n0.517354 0.044829 0.900535 Rb\n0.835036 0.164246 0.203580 Mn\n0.835754 0.670790 0.203580 Mn\n0.670790 0.835036 0.703580 Mn\n0.164246 0.329210 0.703580 Mn\n0.666667 0.333333 0.567933 Mn\n0.329210 0.164964 0.203580 Mn\n0.333333 0.666667 0.067933 Mn\n0.164964 0.835754 0.703580 Mn\n0.172665 0.840187 0.095241 V\n0.827335 0.159813 0.595241 V\n0.332478 0.172665 0.595241 V\n0.667522 0.827335 0.095241 V\n0.666667 0.333333 0.159558 V\n0.159813 0.332478 0.095241 V\n0.333333 0.666667 0.659558 V\n0.840187 0.667522 0.595241 V\n0.232159 0.503989 0.591884 O\n0.307417 0.484058 0.133945 O\n0.818796 0.806060 0.621944 O\n0.503989 0.271830 0.091884 O\n0.012736 0.818796 0.121944 O\n0.667186 0.781026 0.915060 O\n0.289207 0.971089 0.204220 O\n0.271830 0.767841 0.591884 O\n0.728170 0.232159 0.091884 O\n0.823359 0.307417 0.633945 O\n0.666667 0.333333 0.346678 O\n0.781026 0.113839 0.415060 O\n0.028911 0.318118 0.204220 O\n0.333333 0.666667 0.846678 O\n0.886161 0.667186 0.415060 O\n0.318118 0.289207 0.704220 O\n0.484058 0.176641 0.633945 O\n0.332814 0.218974 0.415060 O\n0.218974 0.886161 0.915060 O\n0.767841 0.496011 0.091884 O\n0.681882 0.710793 0.204220 O\n0.515942 0.823359 0.133945 O\n0.987264 0.181204 0.621944 O\n0.806060 0.987264 0.121944 O\n0.496011 0.728170 0.591884 O\n0.181204 0.193940 0.121944 O\n0.710793 0.028911 0.704220 O\n0.971089 0.681882 0.704220 O\n0.692583 0.515942 0.633945 O\n0.113839 0.332814 0.915060 O\n0.193940 0.012736 0.621944 O\n0.176641 0.692583 0.133945 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
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"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Rb-V",
"density": 3.2115575230790223,
"density_atomic": 0.05301971428747777,
"volume": 1056.2108972591373,
"volume_molar": 11.358304813465042,
"formula_full": "Rb8 Mn8 V8 O32",
"formula_reduced": "RbMnVO4",
"formula_anonymous": "ABCD4",
"energy": -443.25123225,
"energy_per_atom": -7.9152005758928565,
"energy_above_hull": null,
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"band_gap": 2.7323,
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"updated_at": "2021-11-28T01:37:40.977000Z",
"spacegroup": 173
},
{
"id": "mp-989618",
"created_at": "2022-09-04T14:46:29.397724Z",
"structure_string": "Cs2 Rb1 Ga1 F6\n1.0\n0.000000 4.664895 4.664895\n4.664895 0.000000 4.664895\n4.664895 4.664895 0.000000\nCs Rb Ga F\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 Rb\n0.000000 0.000000 0.000000 Ga\n0.792166 0.207834 0.207834 F\n0.207834 0.207834 0.792166 F\n0.207834 0.792166 0.792166 F\n0.207834 0.792166 0.207834 F\n0.792166 0.207834 0.792166 F\n0.792166 0.792166 0.207834 F\n",
"nsites": 10,
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"elements": [
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"Rb",
"Ga",
"F"
],
"chemical_system": "Cs-F-Ga-Rb",
"density": 4.375632817758823,
"density_atomic": 0.049254326594496974,
"volume": 203.02784935683738,
"volume_molar": 12.226622870269502,
"formula_full": "Cs2 Rb1 Ga1 F6",
"formula_reduced": "Cs2RbGaF6",
"formula_anonymous": "ABC2D6",
"energy": -47.85911789,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.077000Z",
"spacegroup": 225
},
{
"id": "mp-1326513",
"created_at": "2022-09-04T14:46:30.909162Z",
"structure_string": "Mg4 W4 O12\n1.0\n5.305195 0.000000 0.000000\n0.000000 5.425326 0.000000\n0.000000 0.000000 7.898059\nMg W O\n4 4 12\ndirect\n0.011096 0.032535 0.250000 Mg\n0.488904 0.532535 0.250000 Mg\n0.988904 0.967465 0.750000 Mg\n0.511096 0.467465 0.750000 Mg\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.667861 0.321839 0.427872 O\n0.832139 0.821839 0.072128 O\n0.332139 0.678161 0.572128 O\n0.167861 0.178161 0.927872 O\n0.167861 0.178161 0.572128 O\n0.332139 0.678161 0.927872 O\n0.832139 0.821839 0.427872 O\n0.667861 0.321839 0.072128 O\n0.127091 0.404756 0.250000 O\n0.372909 0.904756 0.250000 O\n0.627091 0.095244 0.750000 O\n0.872909 0.595244 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"W",
"O"
],
"chemical_system": "Mg-O-W",
"density": 7.484182255044539,
"density_atomic": 0.08797969071392087,
"volume": 227.32519104929563,
"volume_molar": 6.844921493963752,
"formula_full": "Mg4 W4 O12",
"formula_reduced": "MgWO3",
"formula_anonymous": "ABC3",
"energy": -165.19373006,
"energy_per_atom": -8.259686503000001,
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"updated_at": "2021-11-28T01:37:35.653000Z",
"spacegroup": 62
},
{
"id": "mp-1080267",
"created_at": "2022-09-04T14:46:39.599901Z",
"structure_string": "Ce4 Se8\n1.0\n8.488831 0.000000 0.000000\n1.006514 8.808126 0.000000\n3.498770 3.871813 10.402558\nCe Se\n4 8\ndirect\n0.865870 0.699635 0.236111 Ce\n0.383083 0.716046 0.592709 Ce\n0.444020 0.631436 0.046329 Ce\n0.174223 0.280990 0.455444 Ce\n0.892494 0.387681 0.385924 Se\n0.159541 0.959356 0.598438 Se\n0.733961 0.737656 0.041868 Se\n0.406354 0.332275 0.227751 Se\n0.181159 0.811712 0.124911 Se\n0.656701 0.838921 0.397409 Se\n0.248326 0.464121 0.575330 Se\n0.468719 0.608631 0.815097 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 2.5451082739448005,
"density_atomic": 0.015428002268618134,
"volume": 777.8064710561405,
"volume_molar": 39.03383377282453,
"formula_full": "Ce4 Se8",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy": -68.65104619,
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"updated_at": "2021-11-28T01:37:45.434000Z",
"spacegroup": 1
},
{
"id": "mp-1097215",
"created_at": "2022-09-04T14:46:52.392782Z",
"structure_string": "Sr1 Cd1 Au2\n1.0\n-5.792116 6.381748 9.014437\n5.792116 -6.381748 9.014437\n5.792116 6.381748 -9.014437\nSr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Cd\n0.000000 0.248151 0.248151 Au\n0.000000 0.751849 0.751849 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Cd-Sr",
"density": 0.7400035795885637,
"density_atomic": 0.003001127802585436,
"volume": 1332.8322761043523,
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"formula_full": "Sr1 Cd1 Au2",
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"formula_anonymous": "ABC2",
"energy": -7.10514096,
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"updated_at": "2021-11-28T01:37:38.324000Z",
"spacegroup": 71
},
{
"id": "mp-1258162",
"created_at": "2022-09-04T14:46:29.412754Z",
"structure_string": "Zn12 Fe8 Si12 O48\n1.0\n-5.928966 5.928966 5.928966\n5.928966 -5.928966 5.928966\n5.928966 5.928966 -5.928966\nZn Fe Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.250000 0.875000 0.625000 Zn\n0.125000 0.250000 0.375000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.875000 0.750000 Zn\n0.375000 0.750000 0.125000 Zn\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.586613 0.894973 0.376245 O\n0.376245 0.586613 0.894973 O\n0.289632 0.308360 0.913387 O\n0.481272 0.605027 0.191640 O\n0.308360 0.894973 0.018728 O\n0.123755 0.018728 0.210368 O\n0.376245 0.289632 0.481272 O\n0.894973 0.376245 0.586613 O\n0.191640 0.210368 0.586613 O\n0.481272 0.376245 0.289632 O\n0.894973 0.018728 0.308360 O\n0.605027 0.913387 0.123755 O\n0.913387 0.123755 0.605027 O\n0.289632 0.481272 0.376245 O\n0.586613 0.191640 0.210368 O\n0.210368 0.586613 0.191640 O\n0.018728 0.308360 0.894973 O\n0.913387 0.289632 0.308360 O\n0.018728 0.210368 0.123755 O\n0.808360 0.789632 0.413387 O\n0.191640 0.481272 0.605027 O\n0.605027 0.191640 0.481272 O\n0.210368 0.123755 0.018728 O\n0.123755 0.605027 0.913387 O\n0.413387 0.105027 0.623755 O\n0.623755 0.413387 0.105027 O\n0.710368 0.691640 0.086613 O\n0.518728 0.394973 0.808360 O\n0.691640 0.105027 0.981272 O\n0.876245 0.981272 0.789632 O\n0.623755 0.710368 0.518728 O\n0.105027 0.623755 0.413387 O\n0.876245 0.394973 0.086613 O\n0.789632 0.876245 0.981272 O\n0.394973 0.808360 0.518728 O\n0.691640 0.086613 0.710368 O\n0.808360 0.518728 0.394973 O\n0.981272 0.789632 0.876245 O\n0.086613 0.710368 0.691640 O\n0.981272 0.691640 0.105027 O\n0.789632 0.413387 0.808360 O\n0.413387 0.808360 0.789632 O\n0.710368 0.518728 0.623755 O\n0.086613 0.876245 0.394973 O\n0.394973 0.086613 0.876245 O\n0.105027 0.981272 0.691640 O\n0.518728 0.623755 0.710368 O\n0.308360 0.913387 0.289632 O\n",
"nsites": 80,
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"elements": [
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"density": 4.654239387916921,
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"volume": 833.6751779975189,
"volume_molar": 6.275636587523891,
"formula_full": "Zn12 Fe8 Si12 O48",
"formula_reduced": "Zn3Fe2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -570.89525401,
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"spacegroup": 230
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{
"id": "mp-1517218",
"created_at": "2022-09-04T14:46:38.017710Z",
"structure_string": "Sr2 Tb1 Sb1 O6\n1.0\n0.000000 -4.207982 -4.207982\n4.207982 0.000000 -4.207982\n4.207982 -4.207982 0.000000\nSr Tb Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n0.763073 0.236927 0.236927 O\n0.236927 0.763073 0.763073 O\n0.763073 0.236927 0.763073 O\n0.236927 0.763073 0.236927 O\n0.763073 0.763073 0.236927 O\n0.236927 0.236927 0.763073 O\n",
"nsites": 10,
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"volume": 149.02242144766836,
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"formula_full": "Sr2 Tb1 Sb1 O6",
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{
"id": "mp-1078520",
"created_at": "2022-09-04T14:46:28.134581Z",
"structure_string": "Al2 H2 O4\n1.0\n2.862746 0.000000 0.000000\n0.000000 4.186247 0.000000\n0.000000 0.000000 4.734166\nAl H O\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.739083 0.145168 O\n0.500000 0.260917 0.854832 O\n0.000000 0.760917 0.645168 O\n0.000000 0.239083 0.354832 O\n",
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"formula_full": "Al2 H2 O4",
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{
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"created_at": "2022-09-04T14:46:37.001661Z",
"structure_string": "Ca8 Mn8 Si16 O48\n1.0\n5.485102 0.000000 0.000000\n0.000000 9.831449 0.000000\n0.000000 0.000000 19.229276\nCa Mn Si O\n8 8 16 48\ndirect\n0.611862 0.145085 0.377443 Ca\n0.388138 0.854915 0.622557 Ca\n0.611862 0.645085 0.122557 Ca\n0.111862 0.854915 0.122557 Ca\n0.888138 0.145085 0.877443 Ca\n0.388138 0.354915 0.877443 Ca\n0.111862 0.354915 0.377443 Ca\n0.888138 0.645085 0.622557 Ca\n0.385680 0.989473 0.873062 Mn\n0.614320 0.010527 0.126938 Mn\n0.885680 0.010527 0.626938 Mn\n0.114320 0.989473 0.373062 Mn\n0.385680 0.489473 0.626938 Mn\n0.614320 0.510527 0.373062 Mn\n0.885680 0.510527 0.873062 Mn\n0.114320 0.489473 0.126938 Mn\n0.557381 0.666022 0.773292 Si\n0.741216 0.831878 0.475377 Si\n0.758784 0.831878 0.975377 Si\n0.942619 0.166022 0.226708 Si\n0.057381 0.333978 0.726708 Si\n0.442619 0.833978 0.273292 Si\n0.241216 0.668122 0.475377 Si\n0.741216 0.331878 0.024623 Si\n0.758784 0.331878 0.524623 Si\n0.942619 0.666022 0.273292 Si\n0.442619 0.333978 0.226708 Si\n0.557381 0.166022 0.726708 Si\n0.258784 0.168122 0.524623 Si\n0.057381 0.833978 0.773292 Si\n0.258784 0.668122 0.975377 Si\n0.241216 0.168122 0.024623 Si\n0.927156 0.521554 0.313407 O\n0.306852 0.032791 0.068289 O\n0.072844 0.478446 0.686593 O\n0.745448 0.346771 0.939600 O\n0.245448 0.153229 0.939600 O\n0.955598 0.216183 0.045616 O\n0.957596 0.657034 0.188445 O\n0.042404 0.842966 0.688445 O\n0.745448 0.846771 0.560400 O\n0.957596 0.157034 0.311555 O\n0.427156 0.478446 0.186593 O\n0.754552 0.346771 0.439600 O\n0.693148 0.967209 0.931711 O\n0.457596 0.842966 0.188445 O\n0.572844 0.021554 0.686593 O\n0.306852 0.532791 0.431711 O\n0.427156 0.978446 0.313407 O\n0.181228 0.758847 0.298887 O\n0.318772 0.758847 0.798887 O\n0.544402 0.716183 0.954384 O\n0.754552 0.846771 0.060400 O\n0.542404 0.657034 0.688445 O\n0.806852 0.467209 0.068289 O\n0.181228 0.258847 0.201113 O\n0.254552 0.153229 0.439600 O\n0.542404 0.157034 0.811555 O\n0.693148 0.467209 0.568289 O\n0.245448 0.653229 0.560400 O\n0.193148 0.532791 0.931711 O\n0.681228 0.741153 0.298887 O\n0.072844 0.978446 0.813407 O\n0.818772 0.741153 0.798887 O\n0.818772 0.241153 0.701113 O\n0.806852 0.967209 0.431711 O\n0.254552 0.653229 0.060400 O\n0.193148 0.032791 0.568289 O\n0.318772 0.258847 0.701113 O\n0.044402 0.783817 0.954384 O\n0.455598 0.783817 0.454384 O\n0.681228 0.241153 0.201113 O\n0.455598 0.283817 0.045616 O\n0.544402 0.216183 0.545616 O\n0.044402 0.283817 0.545616 O\n0.457596 0.342966 0.311555 O\n0.572844 0.521554 0.813407 O\n0.955598 0.716183 0.454384 O\n0.042404 0.342966 0.811555 O\n0.927156 0.021554 0.186593 O\n",
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"elements": [
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"O"
],
"chemical_system": "Ca-Mn-O-Si",
"density": 3.166600627401342,
"density_atomic": 0.0771480254897543,
"volume": 1036.9675632284907,
"volume_molar": 7.805955786645213,
"formula_full": "Ca8 Mn8 Si16 O48",
"formula_reduced": "CaMn(SiO3)2",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:37:42.596000Z",
"spacegroup": 61
},
{
"id": "mp-28851",
"created_at": "2022-09-04T14:46:35.828612Z",
"structure_string": "Na16 Cd12 Se20\n1.0\n4.314518 0.000000 0.000000\n0.000000 14.290135 0.000000\n0.000000 0.000000 20.503626\nNa Cd Se\n16 12 20\ndirect\n0.250000 0.276016 0.833873 Na\n0.750000 0.723984 0.166127 Na\n0.250000 0.776016 0.666127 Na\n0.750000 0.223984 0.333873 Na\n0.250000 0.111603 0.948078 Na\n0.750000 0.888397 0.051922 Na\n0.250000 0.611603 0.551922 Na\n0.750000 0.388397 0.448078 Na\n0.250000 0.006951 0.418541 Na\n0.750000 0.993049 0.581459 Na\n0.250000 0.506951 0.081459 Na\n0.750000 0.493049 0.918541 Na\n0.250000 0.501141 0.733085 Na\n0.750000 0.498859 0.266915 Na\n0.250000 0.001141 0.766915 Na\n0.750000 0.998859 0.233085 Na\n0.250000 0.575732 0.369978 Cd\n0.750000 0.424268 0.630022 Cd\n0.250000 0.075732 0.130022 Cd\n0.750000 0.924268 0.869978 Cd\n0.250000 0.317158 0.216962 Cd\n0.750000 0.682842 0.783038 Cd\n0.250000 0.817158 0.283038 Cd\n0.750000 0.182842 0.716962 Cd\n0.250000 0.206232 0.535395 Cd\n0.750000 0.793768 0.464605 Cd\n0.250000 0.706232 0.964605 Cd\n0.750000 0.293768 0.035395 Cd\n0.250000 0.115296 0.651439 Se\n0.750000 0.361313 0.752751 Se\n0.750000 0.861313 0.747249 Se\n0.250000 0.138687 0.252751 Se\n0.750000 0.146266 0.468400 Se\n0.250000 0.853734 0.531600 Se\n0.750000 0.646266 0.031600 Se\n0.250000 0.353734 0.968400 Se\n0.750000 0.114403 0.843495 Se\n0.250000 0.885597 0.156505 Se\n0.750000 0.614403 0.656505 Se\n0.250000 0.385597 0.343495 Se\n0.750000 0.107202 0.054431 Se\n0.250000 0.892798 0.945569 Se\n0.750000 0.607202 0.445569 Se\n0.250000 0.392798 0.554431 Se\n0.250000 0.615296 0.848561 Se\n0.750000 0.384704 0.151439 Se\n0.250000 0.638687 0.247249 Se\n0.750000 0.884704 0.348561 Se\n",
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"formula_full": "Na16 Cd12 Se20",
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{
"id": "mp-555773",
"created_at": "2022-09-04T14:46:39.840195Z",
"structure_string": "Zn18 S18\n1.0\n1.927004 -3.337669 0.000000\n1.927004 3.337669 0.000000\n0.000000 0.000000 56.689725\nZn S\n18 18\ndirect\n0.000000 0.000000 0.166667 Zn\n0.333333 0.666667 0.222223 Zn\n0.333333 0.666667 0.722217 Zn\n0.666667 0.333333 0.277772 Zn\n0.666667 0.333333 0.777776 Zn\n0.333333 0.666667 0.555571 Zn\n0.000000 0.000000 0.666668 Zn\n0.333333 0.666667 0.055561 Zn\n0.666667 0.333333 0.611110 Zn\n0.666667 0.333333 0.111113 Zn\n0.333333 0.666667 0.444442 Zn\n0.666667 0.333333 0.388912 Zn\n0.666667 0.333333 0.944439 Zn\n0.000000 0.000000 0.333328 Zn\n0.333333 0.666667 0.833345 Zn\n0.000000 0.000000 0.000013 Zn\n0.000000 0.000000 0.888886 Zn\n0.000000 0.000000 0.499997 Zn\n0.666667 0.333333 0.986143 S\n0.000000 0.000000 0.041669 S\n0.666667 0.333333 0.152779 S\n0.333333 0.666667 0.097228 S\n0.333333 0.666667 0.763855 S\n0.000000 0.000000 0.541702 S\n0.000000 0.000000 0.708330 S\n0.666667 0.333333 0.819479 S\n0.000000 0.000000 0.375035 S\n0.666667 0.333333 0.319408 S\n0.000000 0.000000 0.930522 S\n0.333333 0.666667 0.597220 S\n0.666667 0.333333 0.652778 S\n0.333333 0.666667 0.263889 S\n0.666667 0.333333 0.430568 S\n0.000000 0.000000 0.208331 S\n0.333333 0.666667 0.874996 S\n0.333333 0.666667 0.486077 S\n",
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}
]
}