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{
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"results": [
{
"id": "mp-28021",
"created_at": "2022-09-04T14:47:17.428542Z",
"structure_string": "Sr10 Br16 Cl4\n1.0\n11.601241 0.000000 0.000000\n0.000000 11.601241 0.000000\n0.000000 0.000000 7.158367\nSr Br Cl\n10 16 4\ndirect\n0.500000 0.000000 0.150008 Sr\n0.000000 0.500000 0.849992 Sr\n0.843219 0.859477 0.751753 Sr\n0.359477 0.656781 0.751753 Sr\n0.640523 0.343219 0.751753 Sr\n0.156781 0.140523 0.751753 Sr\n0.656781 0.640523 0.248247 Sr\n0.140523 0.843219 0.248247 Sr\n0.859477 0.156781 0.248247 Sr\n0.343219 0.359477 0.248247 Sr\n0.709215 0.089382 0.901841 Br\n0.589382 0.790785 0.901841 Br\n0.410618 0.209215 0.901841 Br\n0.290785 0.910618 0.901841 Br\n0.790785 0.410618 0.098159 Br\n0.910618 0.709215 0.098159 Br\n0.212429 0.403082 0.622939 Br\n0.903082 0.287571 0.622939 Br\n0.096918 0.712429 0.622939 Br\n0.787571 0.596918 0.622939 Br\n0.287571 0.096918 0.377061 Br\n0.596918 0.212429 0.377061 Br\n0.403082 0.787571 0.377061 Br\n0.712429 0.903082 0.377061 Br\n0.209215 0.589382 0.098159 Br\n0.089382 0.290785 0.098159 Br\n0.000000 0.000000 0.500000 Cl\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
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],
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"formula_full": "Sr10 Br16 Cl4",
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},
{
"id": "mp-541879",
"created_at": "2022-09-04T14:47:17.466253Z",
"structure_string": "Rb8 Ge8 S20\n1.0\n7.940418 7.909149 0.000000\n-7.940418 7.909149 0.000000\n0.000000 2.383030 8.995012\nRb Ge S\n8 8 20\ndirect\n0.474838 0.210590 0.874114 Rb\n0.789410 0.525162 0.625886 Rb\n0.525162 0.789410 0.125886 Rb\n0.210590 0.474838 0.374114 Rb\n0.791382 0.940404 0.627432 Rb\n0.059596 0.208618 0.872568 Rb\n0.208618 0.059596 0.372568 Rb\n0.940404 0.791382 0.127432 Rb\n0.527153 0.267164 0.399072 Ge\n0.732836 0.472847 0.100928 Ge\n0.472847 0.732836 0.600928 Ge\n0.267164 0.527153 0.899072 Ge\n0.270161 0.862184 0.885045 Ge\n0.137816 0.729839 0.614955 Ge\n0.729839 0.137816 0.114955 Ge\n0.862184 0.270161 0.385045 Ge\n0.544062 0.117516 0.260154 S\n0.882484 0.455938 0.239846 S\n0.455938 0.882484 0.739846 S\n0.117516 0.544062 0.760154 S\n0.322959 0.755152 0.462364 S\n0.244848 0.677041 0.037636 S\n0.677041 0.244848 0.537636 S\n0.755152 0.322959 0.962364 S\n0.354636 0.243618 0.545136 S\n0.756382 0.645364 0.954864 S\n0.645364 0.756382 0.454864 S\n0.243618 0.354636 0.045136 S\n0.752856 0.003801 0.975745 S\n0.996199 0.247144 0.524255 S\n0.247144 0.996199 0.024255 S\n0.003801 0.752856 0.475745 S\n0.881066 0.118934 0.250000 S\n0.118934 0.881066 0.750000 S\n0.547324 0.452676 0.250000 S\n0.452676 0.547324 0.750000 S\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Ge-Rb-S",
"density": 2.8015871121579154,
"density_atomic": 0.03186380499790068,
"volume": 1129.808571273011,
"volume_molar": 18.8996284668349,
"formula_full": "Rb8 Ge8 S20",
"formula_reduced": "Rb2Ge2S5",
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"energy": -165.5551246,
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"updated_at": "2021-11-28T01:38:00.738000Z",
"spacegroup": 15
},
{
"id": "mp-6941",
"created_at": "2022-09-04T14:47:18.037959Z",
"structure_string": "Y4 Si6 N8 O6\n1.0\n7.648634 0.000000 0.000000\n0.000000 7.648634 0.000000\n0.000000 0.000000 4.950047\nY Si N O\n4 6 8 6\ndirect\n0.670405 0.170405 0.504073 Y\n0.829595 0.670405 0.495927 Y\n0.170405 0.329595 0.495927 Y\n0.329595 0.829595 0.504073 Y\n0.854657 0.354657 0.945340 Si\n0.645343 0.854657 0.054660 Si\n0.354657 0.145343 0.054660 Si\n0.145343 0.645343 0.945340 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.667386 0.422901 0.792898 N\n0.332614 0.577099 0.792898 N\n0.422901 0.332614 0.207102 N\n0.577099 0.667386 0.207102 N\n0.922901 0.167386 0.792898 N\n0.832614 0.922901 0.207102 N\n0.167386 0.077099 0.207102 N\n0.077099 0.832614 0.792898 N\n0.868530 0.368530 0.278604 O\n0.631470 0.868530 0.721396 O\n0.500000 0.000000 0.184148 O\n0.000000 0.500000 0.815852 O\n0.131470 0.631470 0.278604 O\n0.368530 0.131470 0.721396 O\n",
"nsites": 24,
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"elements": [
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"N",
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],
"chemical_system": "N-O-Si-Y",
"density": 4.198495319469674,
"density_atomic": 0.0828770262964244,
"volume": 289.5856798017793,
"volume_molar": 7.266357191027515,
"formula_full": "Y4 Si6 N8 O6",
"formula_reduced": "Y2Si3N4O3",
"formula_anonymous": "A2B3C3D4",
"energy": -211.70425326000003,
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"updated_at": "2021-11-28T01:38:01.859000Z",
"spacegroup": 113
},
{
"id": "mp-675543",
"created_at": "2022-09-04T14:47:18.045614Z",
"structure_string": "Bi2 Pb1 Se4\n1.0\n13.451061 -2.122548 0.000000\n13.451061 2.122548 0.000000\n13.116128 0.000000 3.661073\nBi Pb Se\n2 1 4\ndirect\n0.427745 0.427745 0.427745 Bi\n0.572255 0.572255 0.572255 Bi\n0.000000 0.000000 0.000000 Pb\n0.132385 0.132385 0.132385 Se\n0.286917 0.286917 0.286917 Se\n0.713083 0.713083 0.713083 Se\n0.867615 0.867615 0.867615 Se\n",
"nsites": 7,
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"elements": [
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"Pb",
"Se"
],
"chemical_system": "Bi-Pb-Se",
"density": 7.47457739895918,
"density_atomic": 0.033484636849959816,
"volume": 209.05109502504283,
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"formula_full": "Bi2 Pb1 Se4",
"formula_reduced": "Bi2PbSe4",
"formula_anonymous": "AB2C4",
"energy": -30.42249331,
"energy_per_atom": -4.346070472857143,
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"updated_at": "2021-11-28T01:38:00.380000Z",
"spacegroup": 166
},
{
"id": "mp-1025358",
"created_at": "2022-09-04T14:47:18.408933Z",
"structure_string": "Er1 Al4 Mo2\n1.0\n-3.361794 3.361794 2.673696\n3.361794 -3.361794 2.673696\n3.361794 3.361794 -2.673696\nEr Al Mo\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.305527 0.305527 0.611055 Al\n0.694473 0.694473 0.388945 Al\n0.694473 0.305527 0.000000 Al\n0.305527 0.694473 0.000000 Al\n0.250000 0.750000 0.500000 Mo\n0.750000 0.250000 0.500000 Mo\n",
"nsites": 7,
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"elements": [
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"Al",
"Mo"
],
"chemical_system": "Al-Er-Mo",
"density": 6.416709114752262,
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"volume": 120.86880076045097,
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"formula_full": "Er1 Al4 Mo2",
"formula_reduced": "Er(Al2Mo)2",
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"energy": -43.89804698,
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"spacegroup": 139
},
{
"id": "mp-974527",
"created_at": "2022-09-04T14:47:18.523486Z",
"structure_string": "Nd1 Sm1 Zn2\n1.0\n0.000000 3.666812 3.666812\n3.666812 0.000000 3.666812\n3.666812 3.666812 0.000000\nNd Sm Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
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"density": 7.164255622669464,
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"volume": 98.60431661283341,
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"formula_full": "Nd1 Sm1 Zn2",
"formula_reduced": "NdSmZn2",
"formula_anonymous": "ABC2",
"energy": -13.29098067,
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"updated_at": "2021-11-28T01:38:05.053000Z",
"spacegroup": 225
},
{
"id": "mp-554769",
"created_at": "2022-09-04T14:47:19.801065Z",
"structure_string": "Mo4 S4 Br4\n1.0\n0.000000 5.040830 5.040830\n5.040830 0.000000 5.040830\n5.040830 5.040830 0.000000\nMo S Br\n4 4 4\ndirect\n0.544228 0.151924 0.151924 Mo\n0.151924 0.544228 0.151924 Mo\n0.151924 0.151924 0.151924 Mo\n0.151924 0.151924 0.544228 Mo\n0.380892 0.380892 0.380892 S\n0.857323 0.380892 0.380892 S\n0.380892 0.380892 0.857323 S\n0.380892 0.857323 0.380892 S\n0.364198 0.878601 0.878601 Br\n0.878601 0.878601 0.878601 Br\n0.878601 0.364198 0.878601 Br\n0.878601 0.878601 0.364198 Br\n",
"nsites": 12,
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],
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"density": 5.39071322494961,
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"volume": 256.1746488014795,
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"formula_full": "Mo4 S4 Br4",
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"updated_at": "2021-11-28T01:38:04.866000Z",
"spacegroup": 216
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{
"id": "mp-1232097",
"created_at": "2022-09-04T14:47:17.461504Z",
"structure_string": "Tb8 Mg4 S16\n1.0\n13.592834 0.000000 0.000000\n0.000000 7.946712 0.000000\n0.000000 0.000000 6.549446\nTb Mg S\n8 4 16\ndirect\n0.000000 0.000000 0.500000 Tb\n0.500000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.232057 0.750000 0.998926 Tb\n0.767943 0.250000 0.001074 Tb\n0.267943 0.250000 0.498926 Tb\n0.732057 0.750000 0.501074 Tb\n0.093412 0.250000 0.922405 Mg\n0.906588 0.750000 0.077595 Mg\n0.406588 0.750000 0.422405 Mg\n0.593412 0.250000 0.577595 Mg\n0.168655 0.010415 0.742120 S\n0.831345 0.989585 0.257880 S\n0.331345 0.989585 0.242120 S\n0.668655 0.010415 0.757880 S\n0.668655 0.489585 0.757880 S\n0.331345 0.510415 0.242120 S\n0.831345 0.510415 0.257880 S\n0.168655 0.489585 0.742120 S\n0.069968 0.750000 0.246866 S\n0.930032 0.250000 0.753134 S\n0.430032 0.250000 0.746866 S\n0.569968 0.750000 0.253134 S\n0.091616 0.250000 0.289152 S\n0.908384 0.750000 0.710848 S\n0.408384 0.750000 0.789152 S\n0.591616 0.250000 0.210848 S\n",
"nsites": 28,
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"density": 4.416607888126632,
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"volume": 707.4602655961102,
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"formula_full": "Tb8 Mg4 S16",
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"energy": -169.96064247,
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"spacegroup": 62
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{
"id": "mp-1190297",
"created_at": "2022-09-04T14:47:19.047095Z",
"structure_string": "Dy4 Ga12\n1.0\n9.474377 -3.108260 0.000000\n9.474377 3.108260 0.000000\n8.454649 0.000000 5.286209\nDy Ga\n4 12\ndirect\n0.870463 0.870463 0.870463 Dy\n0.129537 0.129537 0.129537 Dy\n0.712151 0.712151 0.712151 Dy\n0.287849 0.287849 0.287849 Dy\n0.397653 0.831256 0.397653 Ga\n0.397653 0.397653 0.831256 Ga\n0.831256 0.397653 0.397653 Ga\n0.602347 0.168744 0.602347 Ga\n0.602347 0.602347 0.168744 Ga\n0.168744 0.602347 0.602347 Ga\n0.207736 0.709932 0.207736 Ga\n0.207736 0.207736 0.709932 Ga\n0.709932 0.207736 0.207736 Ga\n0.792264 0.290068 0.792264 Ga\n0.792264 0.792264 0.290068 Ga\n0.290068 0.792264 0.792264 Ga\n",
"nsites": 16,
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"density": 7.929085501635418,
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"volume": 311.34530922480803,
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"formula_full": "Dy4 Ga12",
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{
"id": "mp-13568",
"created_at": "2022-09-04T14:47:19.061629Z",
"structure_string": "Nd4 S8\n1.0\n4.048716 0.000000 0.000000\n0.000000 8.067238 0.000000\n0.000000 0.018354 8.145956\nNd S\n4 8\ndirect\n0.288815 0.371183 0.275753 Nd\n0.788815 0.128817 0.724247 Nd\n0.711185 0.628817 0.724247 Nd\n0.211185 0.871183 0.275753 Nd\n0.844058 0.391950 0.002709 S\n0.344058 0.108050 0.997291 S\n0.155942 0.608050 0.997291 S\n0.655942 0.891950 0.002709 S\n0.239162 0.874368 0.632850 S\n0.739162 0.625632 0.367150 S\n0.760838 0.125632 0.367150 S\n0.260838 0.374368 0.632850 S\n",
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{
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