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{
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"results": [
{
"id": "mp-10371",
"created_at": "2022-09-04T14:47:24.277043Z",
"structure_string": "Cr4 Ga2 N2\n1.0\n1.470065 -2.546227 0.000000\n1.470065 2.546227 0.000000\n0.000000 0.000000 12.214343\nCr Ga N\n4 2 2\ndirect\n0.666667 0.333333 0.580045 Cr\n0.333333 0.666667 0.419955 Cr\n0.333333 0.666667 0.080045 Cr\n0.666667 0.333333 0.919955 Cr\n0.666667 0.333333 0.250000 Ga\n0.333333 0.666667 0.750000 Ga\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 8,
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"elements": [
"Cr",
"Ga",
"N"
],
"chemical_system": "Cr-Ga-N",
"density": 6.818051388298378,
"density_atomic": 0.08748955808232381,
"volume": 91.43948346924273,
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"formula_full": "Cr4 Ga2 N2",
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"spacegroup": 194
},
{
"id": "mp-32887",
"created_at": "2022-09-04T14:47:17.223693Z",
"structure_string": "Hf1 Te2\n1.0\n2.009130 -3.479916 0.000000\n2.009130 3.479916 0.000000\n0.000000 0.000000 7.628794\nHf Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666667 0.228088 Te\n0.666667 0.333333 0.771912 Te\n",
"nsites": 3,
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"elements": [
"Hf",
"Te"
],
"chemical_system": "Hf-Te",
"density": 6.750964479584526,
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"volume": 106.6750076928378,
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"formula_full": "Hf1 Te2",
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"formula_anonymous": "AB2",
"energy": -19.55599353,
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"is_magnetic": false,
"total_magnetization": 1.2e-06,
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"updated_at": "2021-11-28T01:38:03.093000Z",
"spacegroup": 164
},
{
"id": "mp-29066",
"created_at": "2022-09-04T14:47:25.676357Z",
"structure_string": "Al24 Fe16 Si24\n1.0\n8.357585 0.000000 0.000000\n0.000000 7.136225 0.000000\n0.000000 6.168558 14.366804\nAl Fe Si\n24 16 24\ndirect\n0.877848 0.925474 0.277058 Al\n0.377848 0.074526 0.222942 Al\n0.122152 0.074526 0.722942 Al\n0.622152 0.925474 0.777058 Al\n0.376755 0.624027 0.324763 Al\n0.876755 0.375973 0.175237 Al\n0.623245 0.375973 0.675237 Al\n0.123245 0.624027 0.824763 Al\n0.886449 0.102863 0.943941 Al\n0.386449 0.897137 0.556059 Al\n0.113551 0.897137 0.056059 Al\n0.613551 0.102863 0.443941 Al\n0.362835 0.100794 0.949772 Al\n0.862835 0.899206 0.550228 Al\n0.637165 0.899206 0.050228 Al\n0.137165 0.100794 0.449772 Al\n0.794937 0.489710 0.822201 Al\n0.294937 0.510290 0.677799 Al\n0.205063 0.510290 0.177799 Al\n0.705063 0.489710 0.322201 Al\n0.452852 0.492381 0.831209 Al\n0.952852 0.507619 0.668791 Al\n0.547148 0.507619 0.168791 Al\n0.047148 0.492381 0.331209 Al\n0.876585 0.704322 0.030188 Fe\n0.376585 0.295678 0.469812 Fe\n0.123415 0.295678 0.969812 Fe\n0.623415 0.704322 0.530188 Fe\n0.373469 0.702203 0.034643 Fe\n0.873469 0.297797 0.465357 Fe\n0.626531 0.297797 0.965357 Fe\n0.126531 0.702203 0.534643 Fe\n0.863136 0.174876 0.771139 Fe\n0.363136 0.825124 0.728861 Fe\n0.136864 0.825124 0.228861 Fe\n0.636864 0.174876 0.271139 Fe\n0.382849 0.171700 0.772861 Fe\n0.882849 0.828300 0.727139 Fe\n0.617151 0.828300 0.227139 Fe\n0.117151 0.171700 0.272861 Fe\n0.878857 0.639085 0.466411 Si\n0.378857 0.360915 0.033589 Si\n0.121143 0.360915 0.533589 Si\n0.621143 0.639085 0.966411 Si\n0.372386 0.611039 0.489219 Si\n0.872386 0.388961 0.010781 Si\n0.627614 0.388961 0.510781 Si\n0.127614 0.611039 0.989219 Si\n0.889020 0.831318 0.873232 Si\n0.389020 0.168682 0.626768 Si\n0.110980 0.168682 0.126768 Si\n0.610980 0.831318 0.373232 Si\n0.354369 0.830474 0.875782 Si\n0.854369 0.169526 0.624218 Si\n0.645631 0.169526 0.124218 Si\n0.145631 0.830474 0.375782 Si\n0.878215 0.183566 0.348449 Si\n0.378215 0.816434 0.151551 Si\n0.121785 0.816434 0.651551 Si\n0.621785 0.183566 0.848449 Si\n0.375251 0.262809 0.327604 Si\n0.875251 0.737191 0.172396 Si\n0.624749 0.737191 0.672396 Si\n0.124749 0.262809 0.827604 Si\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Si"
],
"chemical_system": "Al-Fe-Si",
"density": 4.292779705137738,
"density_atomic": 0.07469137771431394,
"volume": 856.859278252876,
"volume_molar": 8.062698726798168,
"formula_full": "Al24 Fe16 Si24",
"formula_reduced": "Al3Fe2Si3",
"formula_anonymous": "A2B3C3",
"energy": -376.18736802,
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"band_gap": 0.0,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:38:05.506000Z",
"spacegroup": 14
},
{
"id": "mp-667192",
"created_at": "2022-09-04T14:47:24.280586Z",
"structure_string": "La8 C10 Cl4\n1.0\n1.960338 11.340102 0.000000\n-1.960338 11.340102 0.000000\n0.000000 0.956738 10.221587\nLa C Cl\n8 10 4\ndirect\n0.174585 0.174585 0.976473 La\n0.825415 0.825415 0.023527 La\n0.617505 0.617505 0.646607 La\n0.382495 0.382495 0.353393 La\n0.274800 0.274800 0.666298 La\n0.725200 0.725200 0.333702 La\n0.953740 0.953740 0.650623 La\n0.046260 0.046260 0.349377 La\n0.144326 0.144326 0.452596 C\n0.855674 0.855674 0.547404 C\n0.703113 0.703113 0.796698 C\n0.296887 0.296887 0.203302 C\n0.189666 0.189666 0.523818 C\n0.810334 0.810334 0.476182 C\n0.250787 0.250787 0.132989 C\n0.749213 0.749213 0.867011 C\n0.523582 0.523582 0.534562 C\n0.476418 0.476418 0.465438 C\n0.057253 0.057253 0.836024 Cl\n0.942747 0.942747 0.163976 Cl\n0.602660 0.602660 0.149968 Cl\n0.397340 0.397340 0.850032 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"La",
"C",
"Cl"
],
"chemical_system": "C-Cl-La",
"density": 5.017355455921995,
"density_atomic": 0.048409036216294936,
"volume": 454.46060734823294,
"volume_molar": 12.440117033300679,
"formula_full": "La8 C10 Cl4",
"formula_reduced": "La4C5Cl2",
"formula_anonymous": "A2B4C5",
"energy": -159.97520372999998,
"energy_per_atom": -7.2716001695454535,
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"updated_at": "2021-11-28T01:38:05.614000Z",
"spacegroup": 12
},
{
"id": "mp-555117",
"created_at": "2022-09-04T14:47:24.856544Z",
"structure_string": "Cs16 Bi32 O56\n1.0\n6.615732 11.190891 0.000000\n-6.615732 11.190891 0.000000\n0.000000 1.521645 16.075489\nCs Bi O\n16 32 56\ndirect\n0.377554 0.979153 0.204665 Cs\n0.031786 0.121644 0.294709 Cs\n0.134850 0.544058 0.793802 Cs\n0.121644 0.031786 0.794709 Cs\n0.020847 0.622446 0.295335 Cs\n0.361871 0.466876 0.211356 Cs\n0.544058 0.134850 0.293802 Cs\n0.968214 0.878356 0.705291 Cs\n0.455942 0.865150 0.706198 Cs\n0.638129 0.533124 0.788644 Cs\n0.466876 0.361871 0.711356 Cs\n0.622446 0.020847 0.795335 Cs\n0.865150 0.455942 0.206198 Cs\n0.979153 0.377554 0.704665 Cs\n0.878356 0.968214 0.205291 Cs\n0.533124 0.638129 0.288644 Cs\n0.697723 0.297240 0.380565 Bi\n0.459532 0.401523 0.966528 Bi\n0.905846 0.886120 0.458044 Bi\n0.389741 0.905870 0.956823 Bi\n0.540468 0.598477 0.033472 Bi\n0.599154 0.036943 0.538040 Bi\n0.207820 0.300488 0.113645 Bi\n0.094130 0.610259 0.543177 Bi\n0.886120 0.905846 0.958044 Bi\n0.094154 0.113880 0.541956 Bi\n0.598477 0.540468 0.533472 Bi\n0.297240 0.697723 0.880565 Bi\n0.241027 0.792419 0.120554 Bi\n0.302277 0.702760 0.619435 Bi\n0.207476 0.264813 0.371676 Bi\n0.758973 0.207581 0.879446 Bi\n0.792180 0.699512 0.886355 Bi\n0.401523 0.459532 0.466528 Bi\n0.792419 0.241027 0.620554 Bi\n0.735187 0.792524 0.128324 Bi\n0.300488 0.207820 0.613645 Bi\n0.610259 0.094130 0.043177 Bi\n0.963057 0.400846 0.961960 Bi\n0.699512 0.792180 0.386355 Bi\n0.792524 0.735187 0.628324 Bi\n0.207581 0.758973 0.379446 Bi\n0.264813 0.207476 0.871676 Bi\n0.702760 0.302277 0.119435 Bi\n0.400846 0.963057 0.461960 Bi\n0.113880 0.094154 0.041956 Bi\n0.905870 0.389741 0.456823 Bi\n0.036943 0.599154 0.038040 Bi\n0.585063 0.231203 0.898708 O\n0.434855 0.740548 0.881515 O\n0.085560 0.778198 0.524833 O\n0.615627 0.414737 0.972570 O\n0.024446 0.845427 0.348301 O\n0.652993 0.975855 0.154996 O\n0.414737 0.615627 0.472570 O\n0.116561 0.416800 0.973007 O\n0.259452 0.565145 0.618485 O\n0.268175 0.246293 0.241403 O\n0.740548 0.434855 0.381515 O\n0.347007 0.024145 0.845004 O\n0.749586 0.250414 0.250000 O\n0.221802 0.914440 0.975167 O\n0.845427 0.024446 0.848301 O\n0.281872 0.085156 0.022087 O\n0.761000 0.912038 0.612129 O\n0.914844 0.718128 0.477913 O\n0.517696 0.900163 0.353360 O\n0.414937 0.768797 0.101292 O\n0.914440 0.221802 0.475167 O\n0.085156 0.281872 0.522087 O\n0.416800 0.116561 0.473007 O\n0.753707 0.731825 0.258597 O\n0.401486 0.513145 0.854295 O\n0.024145 0.347007 0.345004 O\n0.731825 0.753707 0.758597 O\n0.246293 0.268175 0.741403 O\n0.253176 0.072319 0.618915 O\n0.900163 0.517696 0.853360 O\n0.912038 0.761000 0.112129 O\n0.239000 0.087962 0.387871 O\n0.585263 0.384373 0.527430 O\n0.768797 0.414937 0.601292 O\n0.975855 0.652993 0.654996 O\n0.746824 0.927681 0.381085 O\n0.271499 0.728501 0.250000 O\n0.250414 0.749586 0.750000 O\n0.384373 0.585263 0.027430 O\n0.728501 0.271499 0.750000 O\n0.718128 0.914844 0.977913 O\n0.486855 0.598514 0.645705 O\n0.482304 0.099837 0.646640 O\n0.072319 0.253176 0.118915 O\n0.927681 0.746824 0.881085 O\n0.778198 0.085560 0.024833 O\n0.513145 0.401486 0.354295 O\n0.565145 0.259452 0.118485 O\n0.154573 0.975554 0.151699 O\n0.087962 0.239000 0.887871 O\n0.598514 0.486855 0.145705 O\n0.975554 0.154573 0.651699 O\n0.099837 0.482304 0.146640 O\n0.883439 0.583200 0.026993 O\n0.231203 0.585063 0.398708 O\n0.583200 0.883439 0.526993 O\n",
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],
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"volume": 2380.3277398104783,
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"formula_full": "Cs16 Bi32 O56",
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"energy": -590.56672436,
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"spacegroup": 15
},
{
"id": "mp-557863",
"created_at": "2022-09-04T14:47:24.265748Z",
"structure_string": "K4 Ag8 Pt6 N24 O48\n1.0\n24.140786 0.000000 0.000000\n0.000000 7.286332 0.000000\n0.000000 6.039532 7.753382\nK Ag Pt N O\n4 8 6 24 48\ndirect\n0.634038 0.668803 0.935770 K\n0.865962 0.668803 0.435770 K\n0.365962 0.331197 0.064230 K\n0.134038 0.331197 0.564230 K\n0.526161 0.234050 0.393992 Ag\n0.817363 0.426648 0.183761 Ag\n0.473839 0.765950 0.606008 Ag\n0.317363 0.573352 0.316239 Ag\n0.682637 0.426648 0.683761 Ag\n0.182637 0.573352 0.816239 Ag\n0.026161 0.765950 0.106008 Ag\n0.973839 0.234050 0.893992 Ag\n0.323979 0.178114 0.707064 Pt\n0.000000 0.000000 0.500000 Pt\n0.823979 0.821886 0.792936 Pt\n0.676021 0.821886 0.292936 Pt\n0.500000 0.000000 0.000000 Pt\n0.176021 0.178114 0.207064 Pt\n0.266500 0.927667 0.778981 N\n0.766500 0.072333 0.721019 N\n0.377304 0.022940 0.642316 N\n0.270483 0.332829 0.768537 N\n0.229517 0.332829 0.268537 N\n0.382948 0.423869 0.644310 N\n0.568020 0.213209 0.904027 N\n0.117052 0.423869 0.144310 N\n0.068020 0.786791 0.595973 N\n0.931980 0.213209 0.404027 N\n0.622696 0.977060 0.357684 N\n0.005225 0.988595 0.713353 N\n0.733500 0.072333 0.221019 N\n0.617052 0.576131 0.355690 N\n0.505225 0.011405 0.786647 N\n0.122696 0.022940 0.142316 N\n0.494775 0.988595 0.213353 N\n0.431980 0.786791 0.095973 N\n0.877304 0.977060 0.857684 N\n0.233500 0.927667 0.278981 N\n0.729517 0.667171 0.231463 N\n0.882948 0.576131 0.855690 N\n0.994775 0.011405 0.286647 N\n0.770483 0.667171 0.731463 N\n0.022239 0.162651 0.698573 O\n0.410734 0.409791 0.757779 O\n0.609792 0.407054 0.511185 O\n0.890208 0.407054 0.011185 O\n0.089266 0.409791 0.257779 O\n0.227756 0.734246 0.421574 O\n0.390208 0.592946 0.488815 O\n0.492309 0.194536 0.641527 O\n0.007691 0.194536 0.141527 O\n0.935181 0.416610 0.353492 O\n0.897545 0.172555 0.740206 O\n0.977761 0.837349 0.301427 O\n0.280894 0.299525 0.273984 O\n0.288085 0.466596 0.797480 O\n0.788085 0.533404 0.702520 O\n0.272244 0.734246 0.921574 O\n0.435181 0.583390 0.146508 O\n0.589266 0.590209 0.242221 O\n0.719106 0.700475 0.726016 O\n0.109792 0.592946 0.988815 O\n0.522239 0.837349 0.801427 O\n0.602455 0.172555 0.240206 O\n0.387213 0.865633 0.106799 O\n0.564819 0.416610 0.853492 O\n0.780894 0.700475 0.226016 O\n0.273604 0.967631 0.183112 O\n0.219106 0.299525 0.773984 O\n0.890602 0.875690 0.010722 O\n0.397545 0.827445 0.759794 O\n0.910734 0.590209 0.742221 O\n0.102455 0.827445 0.259794 O\n0.211915 0.466596 0.297480 O\n0.992309 0.805464 0.858473 O\n0.109398 0.124310 0.989278 O\n0.773604 0.032369 0.316888 O\n0.226396 0.967631 0.683112 O\n0.064819 0.583390 0.646508 O\n0.887213 0.134367 0.393201 O\n0.390602 0.124310 0.489278 O\n0.612787 0.134367 0.893201 O\n0.772244 0.265754 0.578426 O\n0.112787 0.865633 0.606799 O\n0.711915 0.533404 0.202520 O\n0.477761 0.162651 0.198573 O\n0.727756 0.265754 0.078426 O\n0.507691 0.805464 0.358473 O\n0.726396 0.032369 0.816888 O\n0.609398 0.875690 0.510722 O\n",
"nsites": 90,
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"elements": [
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"N",
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],
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"volume_molar": 9.125568652632108,
"formula_full": "K4 Ag8 Pt6 N24 O48",
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"energy": -569.93750891,
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"updated_at": "2021-11-28T01:38:02.677000Z",
"spacegroup": 14
},
{
"id": "mp-1077075",
"created_at": "2022-09-04T14:47:17.204721Z",
"structure_string": "Ce1 Ir5\n1.0\n0.000000 3.723391 3.723391\n3.723391 0.000000 3.723391\n3.723391 3.723391 0.000000\nCe Ir\n1 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Ir\n0.624034 0.624034 0.127898 Ir\n0.624034 0.127898 0.624034 Ir\n0.127898 0.624034 0.624034 Ir\n0.624034 0.624034 0.624034 Ir\n",
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