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"results": [
{
"id": "mp-1034910",
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{
"id": "mp-972328",
"created_at": "2022-09-04T14:39:10.215762Z",
"structure_string": "Ti2 Ir1 Rh1\n1.0\n0.000000 3.117759 3.117759\n3.117759 0.000000 3.117759\n3.117759 3.117759 0.000000\nTi Ir Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "mp-1212594",
"created_at": "2022-09-04T14:39:08.081747Z",
"structure_string": "In12 Te12 Br4\n1.0\n4.423242 0.000000 0.000000\n0.000000 11.911994 0.000000\n0.000000 0.000000 21.049380\nIn Te Br\n12 12 4\ndirect\n0.250000 0.673235 0.990174 In\n0.750000 0.326765 0.009826 In\n0.750000 0.826765 0.490174 In\n0.250000 0.173235 0.509826 In\n0.250000 0.546387 0.103650 In\n0.750000 0.453613 0.896350 In\n0.750000 0.953613 0.603650 In\n0.250000 0.046387 0.396350 In\n0.250000 0.660816 0.633816 In\n0.750000 0.339184 0.366184 In\n0.750000 0.839184 0.133816 In\n0.250000 0.160816 0.866184 In\n0.250000 0.728800 0.194605 Te\n0.750000 0.271200 0.805395 Te\n0.750000 0.771200 0.694605 Te\n0.250000 0.228800 0.305395 Te\n0.250000 0.669497 0.498715 Te\n0.750000 0.330503 0.501285 Te\n0.750000 0.830503 0.998715 Te\n0.250000 0.169497 0.001285 Te\n0.250000 0.596796 0.861356 Te\n0.750000 0.403204 0.138644 Te\n0.750000 0.903204 0.361356 Te\n0.250000 0.096796 0.638644 Te\n0.250000 0.955057 0.831972 Br\n0.750000 0.044943 0.168028 Br\n0.750000 0.544943 0.331972 Br\n0.250000 0.455057 0.668028 Br\n",
"nsites": 28,
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"elements": [
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"formula_full": "In12 Te12 Br4",
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"spacegroup": 62
},
{
"id": "mp-1028379",
"created_at": "2022-09-04T14:39:05.895323Z",
"structure_string": "Mg14 Ni1 Mo1\n1.0\n6.259023 -0.000000 -0.000000\n-3.129512 5.420473 0.000000\n0.000000 -0.000000 9.730772\nMg Ni Mo\n14 1 1\ndirect\n0.164823 0.832411 0.125000 Mg\n0.171683 0.835841 0.625000 Mg\n0.667589 0.335177 0.125000 Mg\n0.664159 0.328317 0.625000 Mg\n0.667589 0.832411 0.125000 Mg\n0.664159 0.835841 0.625000 Mg\n0.323145 0.176854 0.371759 Mg\n0.323145 0.176854 0.878241 Mg\n0.323145 0.646292 0.371759 Mg\n0.323145 0.646292 0.878241 Mg\n0.853708 0.176854 0.371759 Mg\n0.853708 0.176854 0.878241 Mg\n0.833333 0.666667 0.378367 Mg\n0.833333 0.666667 0.871633 Mg\n0.166667 0.333333 0.125000 Ni\n0.166667 0.333333 0.625000 Mo\n",
"nsites": 16,
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"elements": [
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"density": 2.4893072567418018,
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"volume": 330.13458972068,
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"formula_full": "Mg14 Ni1 Mo1",
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"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:34:36.544000Z",
"spacegroup": 187
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{
"id": "mp-11193",
"created_at": "2022-09-04T14:39:08.096502Z",
"structure_string": "V2 Au2 S4\n1.0\n1.612737 -2.793343 0.000000\n1.612737 2.793343 0.000000\n0.000000 0.000000 15.188637\nV Au S\n2 2 4\ndirect\n0.333333 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.344196 S\n0.000000 0.000000 0.844196 S\n0.000000 0.000000 0.155804 S\n0.000000 0.000000 0.655804 S\n",
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"elements": [
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"chemical_system": "Au-S-V",
"density": 7.5726879250650985,
"density_atomic": 0.05845926784280166,
"volume": 136.8474203527863,
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"formula_full": "V2 Au2 S4",
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"updated_at": "2021-11-28T01:34:30.842000Z",
"spacegroup": 194
},
{
"id": "mp-8560",
"created_at": "2022-09-04T14:39:05.649044Z",
"structure_string": "S1 F6\n1.0\n-2.994852 2.994852 2.994852\n2.994852 -2.994852 2.994852\n2.994852 2.994852 -2.994852\nS F\n1 6\ndirect\n0.000000 0.000000 0.000000 S\n0.733370 0.000000 0.733370 F\n0.266630 0.000000 0.266630 F\n0.000000 0.266630 0.266630 F\n0.000000 0.733370 0.733370 F\n0.266630 0.266630 0.000000 F\n0.733370 0.733370 0.000000 F\n",
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"spacegroup": 229
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{
"id": "mp-1100452",
"created_at": "2022-09-04T14:39:06.697327Z",
"structure_string": "Mg6 Si6\n1.0\n2.272683 4.963296 0.000000\n-2.272683 4.963296 0.000000\n0.000000 1.203176 9.692496\nMg Si\n6 6\ndirect\n0.090108 0.090108 0.874229 Mg\n0.909892 0.909892 0.125771 Mg\n0.442683 0.442683 0.355578 Mg\n0.557317 0.557317 0.644422 Mg\n0.206550 0.206550 0.165720 Mg\n0.793450 0.793450 0.834280 Mg\n0.258596 0.258596 0.634501 Si\n0.117633 0.117633 0.450033 Si\n0.414318 0.414318 0.915321 Si\n0.585682 0.585682 0.084679 Si\n0.741404 0.741404 0.365499 Si\n0.882367 0.882367 0.549967 Si\n",
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"density": 2.387141842461987,
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"volume": 218.66267958082412,
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"formula_full": "Mg6 Si6",
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"spacegroup": 12
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{
"id": "mp-1074347",
"created_at": "2022-09-04T14:39:05.765410Z",
"structure_string": "Mg16 Si12\n1.0\n6.825505 0.000000 0.000000\n-2.163278 6.964237 0.000000\n-1.078979 -0.647881 11.457124\nMg Si\n16 12\ndirect\n0.634164 0.875949 0.945166 Mg\n0.695424 0.485736 0.871764 Mg\n0.134868 0.872958 0.462783 Mg\n0.117634 0.581796 0.256005 Mg\n0.164542 0.867635 0.862849 Mg\n0.026909 0.231112 0.895592 Mg\n0.550882 0.848577 0.399384 Mg\n0.345541 0.267852 0.355709 Mg\n0.411268 0.806861 0.664442 Mg\n0.304121 0.233579 0.686988 Mg\n0.913344 0.936180 0.223697 Mg\n0.762463 0.251014 0.314254 Mg\n0.971891 0.479753 0.665407 Mg\n0.868148 0.910756 0.660584 Mg\n0.615448 0.510333 0.139882 Mg\n0.384968 0.958148 0.156271 Mg\n0.629640 0.173881 0.546917 Si\n0.247095 0.524902 0.494504 Si\n0.425015 0.195261 0.979305 Si\n0.962260 0.718435 0.043946 Si\n0.317661 0.553104 0.831054 Si\n0.658066 0.146704 0.760494 Si\n0.774676 0.614627 0.364110 Si\n0.197617 0.279509 0.125015 Si\n0.618712 0.541184 0.546966 Si\n0.001807 0.190896 0.494196 Si\n0.256170 0.596843 0.032003 Si\n0.790622 0.203254 0.084843 Si\n",
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{
"id": "mp-1206353",
"created_at": "2022-09-04T14:39:09.367208Z",
"structure_string": "Zn2 Ga1 Ag1 Se4\n1.0\n-2.942301 2.942301 5.709244\n2.942301 -2.942301 5.709244\n2.942301 2.942301 -5.709244\nZn Ga Ag Se\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ag\n0.893003 0.364854 0.000000 Se\n0.364854 0.893003 0.000000 Se\n0.635146 0.635146 0.528149 Se\n0.106997 0.106997 0.471851 Se\n",
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"formula_full": "Zn2 Ga1 Ag1 Se4",
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{
"id": "mp-552185",
"created_at": "2022-09-04T14:39:06.697596Z",
"structure_string": "Ag2 N2 O6\n1.0\n5.928524 -2.619199 0.000000\n5.928524 2.619199 0.000000\n4.771372 0.000000 4.386526\nAg N O\n2 2 6\ndirect\n0.999109 0.999109 0.999109 Ag\n0.499109 0.499109 0.499109 Ag\n0.222373 0.222373 0.222373 N\n0.722373 0.722373 0.722373 N\n0.988580 0.663248 0.513598 O\n0.163248 0.488580 0.013598 O\n0.663248 0.513598 0.988580 O\n0.513598 0.988580 0.663248 O\n0.013598 0.163248 0.488580 O\n0.488580 0.013598 0.163248 O\n",
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{
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{
"id": "mp-1222754",
"created_at": "2022-09-04T14:39:11.786033Z",
"structure_string": "La1 Y1 Mg6\n1.0\n8.722024 -2.615764 0.000000\n8.722024 2.615764 0.000000\n7.937548 0.000000 4.462204\nLa Y Mg\n1 1 6\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Y\n0.623409 0.623409 0.623409 Mg\n0.126105 0.126105 0.126105 Mg\n0.873895 0.873895 0.873895 Mg\n0.376591 0.376591 0.376591 Mg\n0.249233 0.249233 0.249233 Mg\n0.750767 0.750767 0.750767 Mg\n",
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.8466626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.779000Z",
"spacegroup": 166
}
]
}