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{
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"results": [
{
"id": "mp-1191103",
"created_at": "2022-09-04T14:48:31.010668Z",
"structure_string": "Te2 C4 Se4 Br4 N8\n1.0\n7.278187 0.000000 0.000000\n-0.146965 7.352285 0.000000\n-0.280849 -2.942293 10.907656\nTe C Se Br N\n2 4 4 4 8\ndirect\n0.171278 0.082200 0.108816 Te\n0.828722 0.917800 0.891184 Te\n0.686677 0.814653 0.182339 C\n0.313323 0.185347 0.817661 C\n0.317149 0.550276 0.330247 C\n0.682851 0.449724 0.669753 C\n0.062562 0.063488 0.321447 Se\n0.937438 0.936512 0.678553 Se\n0.983226 0.385021 0.256233 Se\n0.016774 0.614979 0.743767 Se\n0.309343 0.751633 0.988479 Br\n0.690657 0.248367 0.011521 Br\n0.273023 0.203503 0.483110 Br\n0.726977 0.796497 0.516890 Br\n0.817702 0.740581 0.122487 N\n0.182298 0.259419 0.877513 N\n0.558482 0.895380 0.243024 N\n0.441518 0.104620 0.756976 N\n0.480107 0.554579 0.326246 N\n0.519893 0.445421 0.673754 N\n0.140013 0.557739 0.346103 N\n0.859987 0.442261 0.653897 N\n",
"nsites": 22,
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"volume": 583.6829082214169,
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"formula_full": "Te2 C4 Se4 Br4 N8",
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{
"id": "mp-23278",
"created_at": "2022-09-04T14:48:31.009738Z",
"structure_string": "Np2 Cl6\n1.0\n3.721233 -6.445365 0.000000\n3.721233 6.445365 0.000000\n0.000000 0.000000 4.308629\nNp Cl\n2 6\ndirect\n0.666667 0.333333 0.750000 Np\n0.333333 0.666667 0.250000 Np\n0.608727 0.694439 0.750000 Cl\n0.914288 0.608727 0.250000 Cl\n0.391273 0.305561 0.250000 Cl\n0.085712 0.391273 0.750000 Cl\n0.305561 0.914288 0.750000 Cl\n0.694439 0.085712 0.250000 Cl\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.5172676496231094,
"density_atomic": 0.03870673249643299,
"volume": 206.682390479156,
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"formula_full": "Np2 Cl6",
"formula_reduced": "NpCl3",
"formula_anonymous": "AB3",
"energy": -54.85961096,
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"updated_at": "2021-11-28T01:39:55.439000Z",
"spacegroup": 176
},
{
"id": "mp-1246062",
"created_at": "2022-09-04T14:48:31.009687Z",
"structure_string": "Ti2 Cd8 N8\n1.0\n5.889179 -0.085979 -0.273038\n2.114573 5.443607 0.130787\n1.196612 2.688799 8.459878\nTi Cd N\n2 8 8\ndirect\n0.714001 0.847974 0.767459 Ti\n0.285999 0.152026 0.232541 Ti\n0.723393 0.637690 0.188083 Cd\n0.276607 0.362310 0.811917 Cd\n0.759860 0.241216 0.996117 Cd\n0.240140 0.758784 0.003883 Cd\n0.751018 0.469790 0.581248 Cd\n0.248982 0.530210 0.418752 Cd\n0.253644 0.931152 0.589828 Cd\n0.746356 0.068848 0.410172 Cd\n0.966256 0.705441 0.625074 N\n0.033744 0.294559 0.374926 N\n0.838879 0.851678 0.957533 N\n0.161121 0.148322 0.042467 N\n0.496644 0.646566 0.811483 N\n0.503356 0.353434 0.188517 N\n0.469288 0.799804 0.367735 N\n0.530712 0.200196 0.632265 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Cd",
"N"
],
"chemical_system": "Cd-N-Ti",
"density": 6.786312383561775,
"density_atomic": 0.06644770345645219,
"volume": 270.8897232512581,
"volume_molar": 9.062978021425119,
"formula_full": "Ti2 Cd8 N8",
"formula_reduced": "Ti(CdN)4",
"formula_anonymous": "AB4C4",
"energy": -91.4741556,
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"updated_at": "2021-11-28T01:39:57.692000Z",
"spacegroup": 2
},
{
"id": "mp-1191275",
"created_at": "2022-09-04T14:48:31.002869Z",
"structure_string": "Ho6 Si4 Ni12\n1.0\n-4.367238 4.367238 4.367238\n4.367238 -4.367238 4.367238\n4.367238 4.367238 -4.367238\nHo Si Ni\n6 4 12\ndirect\n0.716252 0.716252 0.000000 Ho\n0.283748 0.000000 0.283748 Ho\n0.000000 0.283748 0.283748 Ho\n0.283748 0.283748 0.000000 Ho\n0.716252 0.000000 0.716252 Ho\n0.000000 0.716252 0.716252 Ho\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.331058 0.331058 0.662116 Ni\n0.668942 0.000000 0.331058 Ni\n0.000000 0.668942 0.331058 Ni\n0.668942 0.331058 0.000000 Ni\n0.331058 0.662116 0.331058 Ni\n0.000000 0.331058 0.668942 Ni\n0.331058 0.668942 0.000000 Ni\n0.331058 0.000000 0.668942 Ni\n0.662116 0.331058 0.331058 Ni\n0.668942 0.668942 0.337884 Ni\n0.668942 0.337884 0.668942 Ni\n0.337884 0.668942 0.668942 Ni\n",
"nsites": 22,
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"elements": [
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"density": 9.002126598047333,
"density_atomic": 0.06603012340948693,
"volume": 333.1812643082102,
"volume_molar": 9.120293055721845,
"formula_full": "Ho6 Si4 Ni12",
"formula_reduced": "Ho3(SiNi3)2",
"formula_anonymous": "A2B3C6",
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"updated_at": "2021-11-28T01:39:55.249000Z",
"spacegroup": 229
},
{
"id": "mp-7774",
"created_at": "2022-09-04T14:48:31.001500Z",
"structure_string": "Na4 Sb2 Au2\n1.0\n3.797492 -4.695866 0.000000\n3.797492 4.695866 0.000000\n0.000000 0.000000 5.929431\nNa Sb Au\n4 2 2\ndirect\n0.015517 0.656409 0.250000 Na\n0.984483 0.343591 0.750000 Na\n0.656409 0.015517 0.250000 Na\n0.343591 0.984483 0.750000 Na\n0.798126 0.798126 0.750000 Sb\n0.201874 0.201874 0.250000 Sb\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.03782983164938018,
"volume": 211.47331751689345,
"volume_molar": 15.919026063386326,
"formula_full": "Na4 Sb2 Au2",
"formula_reduced": "Na2SbAu",
"formula_anonymous": "ABC2",
"energy": -24.17032216,
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"updated_at": "2021-11-28T01:39:55.815000Z",
"spacegroup": 63
},
{
"id": "mp-4431",
"created_at": "2022-09-04T14:48:30.997809Z",
"structure_string": "Ag6 As2 S6\n1.0\n4.456593 -5.382380 0.000000\n4.456593 5.382380 0.000000\n-2.043893 0.000000 6.682346\nAg As S\n6 2 6\ndirect\n0.918307 0.257643 0.472095 Ag\n0.472095 0.918307 0.257643 Ag\n0.257643 0.472095 0.918307 Ag\n0.972095 0.757643 0.418307 Ag\n0.757643 0.418307 0.972095 Ag\n0.418307 0.972095 0.757643 Ag\n0.993997 0.993997 0.993997 As\n0.493997 0.493997 0.493997 As\n0.773764 0.097598 0.767697 S\n0.767697 0.773764 0.097598 S\n0.267697 0.597598 0.273764 S\n0.097598 0.767697 0.773764 S\n0.273764 0.267697 0.597598 S\n0.597598 0.273764 0.267697 S\n",
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"elements": [
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],
"chemical_system": "Ag-As-S",
"density": 5.12511164070851,
"density_atomic": 0.04367086068923068,
"volume": 320.57989650413344,
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"formula_full": "Ag6 As2 S6",
"formula_reduced": "Ag3AsS3",
"formula_anonymous": "AB3C3",
"energy": -55.52075238,
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},
{
"id": "mp-1101145",
"created_at": "2022-09-04T14:48:30.995718Z",
"structure_string": "Te16 Rh15\n1.0\n8.035723 0.000000 0.000000\n0.000000 9.092456 0.000000\n0.000000 1.955456 8.912133\nTe Rh\n16 15\ndirect\n0.246869 0.543639 0.286004 Te\n0.000000 0.284133 0.051114 Te\n0.747134 0.039619 0.790768 Te\n0.500000 0.793650 0.534944 Te\n0.000000 0.715867 0.948886 Te\n0.753131 0.456361 0.713996 Te\n0.500000 0.206350 0.465056 Te\n0.252866 0.960381 0.209232 Te\n0.500000 0.294722 0.036515 Te\n0.252866 0.039619 0.790768 Te\n0.000000 0.789276 0.539773 Te\n0.753131 0.543639 0.286004 Te\n0.747134 0.960381 0.209232 Te\n0.500000 0.705278 0.963485 Te\n0.246869 0.456361 0.713996 Te\n0.000000 0.210724 0.460227 Te\n0.234302 0.500000 0.000000 Rh\n0.000000 0.256345 0.764305 Rh\n0.739299 0.000000 0.500000 Rh\n0.500000 0.739153 0.261150 Rh\n0.000000 0.743655 0.235695 Rh\n0.765698 0.500000 0.000000 Rh\n0.500000 0.260847 0.738850 Rh\n0.260701 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.742072 0.256306 0.258551 Rh\n0.500000 0.000000 0.000000 Rh\n0.257928 0.743694 0.741449 Rh\n0.257928 0.256306 0.258551 Rh\n0.000000 0.000000 0.000000 Rh\n0.742072 0.743694 0.741449 Rh\n",
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{
"id": "mp-1018714",
"created_at": "2022-09-04T14:48:30.995079Z",
"structure_string": "Hf2 Ga2 Cu2\n1.0\n2.113414 -3.660541 0.000000\n2.113414 3.660541 0.000000\n0.000000 0.000000 6.311468\nHf Ga Cu\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n",
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"formula_full": "Hf2 Ga2 Cu2",
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{
"id": "mp-1214786",
"created_at": "2022-09-04T14:48:30.990563Z",
"structure_string": "As4 Ru4 S4\n1.0\n5.950923 0.000000 0.000000\n0.000000 5.964659 0.000000\n0.000000 2.173931 5.600368\nAs Ru S\n4 4 4\ndirect\n0.873658 0.649031 0.628571 As\n0.126342 0.350969 0.371429 As\n0.373658 0.350969 0.871429 As\n0.626342 0.649031 0.128571 As\n0.494574 0.784326 0.703745 Ru\n0.505426 0.215674 0.296255 Ru\n0.994574 0.215674 0.796255 Ru\n0.005426 0.784326 0.203745 Ru\n0.127658 0.842849 0.815824 S\n0.872342 0.157151 0.184176 S\n0.627658 0.157151 0.684176 S\n0.372342 0.842849 0.315824 S\n",
"nsites": 12,
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"volume": 198.78633025276554,
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"formula_full": "As4 Ru4 S4",
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{
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"created_at": "2022-09-04T14:48:30.988195Z",
"structure_string": "V1 Se2\n1.0\n1.676903 -2.904481 0.000000\n1.676903 2.904481 0.000000\n0.000000 0.000000 7.000427\nV Se\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.666667 0.333333 0.774935 Se\n0.333333 0.666667 0.225065 Se\n",
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"volume": 68.1916200679006,
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{
"id": "mp-1096683",
"created_at": "2022-09-04T14:48:30.979479Z",
"structure_string": "Li1 Pd1 Pb2\n1.0\n-5.401484 5.876082 8.311409\n5.401484 -5.876082 8.311409\n5.401484 5.876082 -8.311409\nLi Pd Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Pd\n0.000000 0.262797 0.262797 Pb\n0.000000 0.737203 0.737203 Pb\n",
"nsites": 4,
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"volume": 1055.2019551616056,
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"formula_full": "Li1 Pd1 Pb2",
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{
"id": "mp-1147532",
"created_at": "2022-09-04T14:48:30.977769Z",
"structure_string": "Cu1 Br2\n1.0\n-2.413633 2.413633 7.836689\n2.413633 -2.413633 7.836689\n2.413633 2.413633 -7.836689\nCu Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Br\n0.000000 0.500000 0.500000 Br\n",
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"total_magnetization": 0.0002911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:56.924000Z",
"spacegroup": 139
}
]
}