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{
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"results": [
{
"id": "mp-1218413",
"created_at": "2022-09-04T14:42:23.234922Z",
"structure_string": "Sr3 Nb2 Zn1 O9\n1.0\n2.875882 -4.981174 0.000000\n2.875882 4.981174 0.000000\n0.000000 0.000000 7.058750\nSr Nb Zn O\n3 2 1 9\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.835176 Sr\n0.333333 0.666667 0.164824 Sr\n0.666667 0.333333 0.320424 Nb\n0.333333 0.666667 0.679576 Nb\n0.000000 0.000000 0.000000 Zn\n0.660558 0.830279 0.828554 O\n0.339442 0.169721 0.171446 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.169721 0.339442 0.828554 O\n0.830279 0.660558 0.171446 O\n0.500000 0.500000 0.500000 O\n0.169721 0.830279 0.828554 O\n0.830279 0.169721 0.171446 O\n",
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"volume_molar": 8.11933040702626,
"formula_full": "Sr3 Nb2 Zn1 O9",
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"updated_at": "2021-11-28T01:35:44.773000Z",
"spacegroup": 164
},
{
"id": "mp-1020594",
"created_at": "2022-09-04T14:48:00.083959Z",
"structure_string": "Zn8 Si4 O16\n1.0\n5.142864 0.000000 0.000000\n0.000000 6.743913 0.000000\n0.000000 0.000000 10.435498\nZn Si O\n8 4 16\ndirect\n0.674034 0.999367 0.655626 Zn\n0.825966 0.500633 0.155626 Zn\n0.325966 0.499367 0.344374 Zn\n0.174034 0.000633 0.844374 Zn\n0.325966 0.000633 0.344374 Zn\n0.174034 0.499367 0.844374 Zn\n0.674034 0.500633 0.655626 Zn\n0.825966 0.999367 0.155626 Zn\n0.176534 0.250000 0.593018 Si\n0.323466 0.250000 0.093018 Si\n0.823466 0.750000 0.406982 Si\n0.676534 0.750000 0.906982 Si\n0.857779 0.250000 0.612045 O\n0.642221 0.250000 0.112045 O\n0.142221 0.750000 0.387955 O\n0.357779 0.750000 0.887955 O\n0.235940 0.250000 0.941418 O\n0.264060 0.250000 0.441418 O\n0.764060 0.750000 0.058582 O\n0.735940 0.750000 0.558582 O\n0.294214 0.050631 0.663964 O\n0.205786 0.449369 0.163964 O\n0.705786 0.550631 0.336036 O\n0.794214 0.949369 0.836036 O\n0.705786 0.949369 0.336036 O\n0.794214 0.550631 0.836036 O\n0.294214 0.449369 0.663964 O\n0.205786 0.050631 0.163964 O\n",
"nsites": 28,
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"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 4.090638697520787,
"density_atomic": 0.07736202930492696,
"volume": 361.9346629292306,
"volume_molar": 7.78436245029636,
"formula_full": "Zn8 Si4 O16",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
"energy": -179.18405183,
"energy_per_atom": -6.399430422499999,
"energy_above_hull": null,
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"band_gap": 2.677,
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"updated_at": "2021-11-28T01:38:31.624000Z",
"spacegroup": 62
},
{
"id": "mp-1209364",
"created_at": "2022-09-04T14:43:40.923676Z",
"structure_string": "Rb6 Mn2 Br10\n1.0\n-4.719985 4.719985 7.710359\n4.719985 -4.719985 7.710359\n4.719985 4.719985 -7.710359\nRb Mn Br\n6 2 10\ndirect\n0.250000 0.250000 0.000000 Rb\n0.750000 0.750000 0.000000 Rb\n0.167127 0.667127 0.834253 Rb\n0.832873 0.332873 0.165747 Rb\n0.667127 0.832873 0.500000 Rb\n0.332873 0.167127 0.500000 Rb\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.797705 0.297705 0.792603 Br\n0.202295 0.702295 0.207397 Br\n0.505102 0.005102 0.207397 Br\n0.297705 0.505102 0.500000 Br\n0.994898 0.202295 0.500000 Br\n0.494898 0.994898 0.792603 Br\n0.702295 0.494898 0.500000 Br\n0.005102 0.797705 0.500000 Br\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mn",
"Br"
],
"chemical_system": "Br-Mn-Rb",
"density": 3.4359609969207696,
"density_atomic": 0.02619730867360476,
"volume": 687.0934806420019,
"volume_molar": 22.98763142058039,
"formula_full": "Rb6 Mn2 Br10",
"formula_reduced": "Rb3MnBr5",
"formula_anonymous": "AB3C5",
"energy": -72.26274229,
"energy_per_atom": -4.014596793888889,
"energy_above_hull": null,
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"energy_uncorrected": -66.92274229,
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"updated_at": "2021-11-28T01:36:20.760000Z",
"spacegroup": 140
},
{
"id": "mp-27878",
"created_at": "2022-09-04T14:41:48.153745Z",
"structure_string": "Na2 Sb10 O16\n1.0\n-7.375737 0.000000 0.000000\n-0.478369 -7.521290 0.000000\n2.723212 2.437595 9.134931\nNa Sb O\n2 10 16\ndirect\n0.255863 0.560957 0.967256 Na\n0.744137 0.439043 0.032744 Na\n0.536568 0.821077 0.277474 Sb\n0.463432 0.178923 0.722526 Sb\n0.743042 0.945148 0.030242 Sb\n0.256958 0.054852 0.969758 Sb\n0.537446 0.401152 0.334350 Sb\n0.462554 0.598848 0.665650 Sb\n0.102032 0.761928 0.329046 Sb\n0.897968 0.238072 0.670954 Sb\n0.978228 0.688735 0.661341 Sb\n0.021772 0.311265 0.338659 Sb\n0.060907 0.490126 0.230490 O\n0.939093 0.509874 0.769510 O\n0.822326 0.457464 0.426047 O\n0.177674 0.542536 0.573953 O\n0.809220 0.196893 0.161145 O\n0.190780 0.803107 0.838855 O\n0.854135 0.810868 0.195747 O\n0.145865 0.189132 0.804253 O\n0.539982 0.554465 0.182110 O\n0.460018 0.445535 0.817890 O\n0.451439 0.641965 0.441757 O\n0.548561 0.358035 0.558243 O\n0.752849 0.184189 0.798055 O\n0.247151 0.815811 0.201945 O\n0.493881 0.102264 0.916123 O\n0.506119 0.897736 0.083877 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Sb",
"O"
],
"chemical_system": "Na-O-Sb",
"density": 4.979282456134341,
"density_atomic": 0.055252890594538764,
"volume": 506.7608173746396,
"volume_molar": 10.89923204958119,
"formula_full": "Na2 Sb10 O16",
"formula_reduced": "NaSb5O8",
"formula_anonymous": "AB5C8",
"energy": -173.50044193,
"energy_per_atom": -6.196444354642857,
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"band_gap": 2.6771,
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"updated_at": "2021-11-28T01:35:27.827000Z",
"spacegroup": 2
},
{
"id": "mp-676227",
"created_at": "2022-09-04T14:46:56.314235Z",
"structure_string": "Nd4 Th4 O14\n1.0\n3.909658 0.000000 0.000000\n0.000000 8.003757 0.000000\n0.000000 0.000000 11.299223\nNd Th O\n4 4 14\ndirect\n0.000000 0.750000 0.231075 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.250000 0.768925 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.750000 0.747881 Th\n0.000000 0.250000 0.252119 Th\n0.500000 0.000000 0.000000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.965400 0.372578 O\n0.500000 0.250000 0.131034 O\n0.000000 0.012685 0.121330 O\n0.000000 0.987315 0.878670 O\n0.000000 0.512685 0.878670 O\n0.500000 0.250000 0.875081 O\n0.500000 0.750000 0.614039 O\n0.000000 0.034600 0.627422 O\n0.000000 0.465400 0.627422 O\n0.000000 0.534600 0.372578 O\n0.500000 0.250000 0.385961 O\n0.500000 0.750000 0.124919 O\n0.000000 0.487315 0.121330 O\n0.500000 0.750000 0.868966 O\n",
"nsites": 22,
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"elements": [
"Nd",
"Th",
"O"
],
"chemical_system": "Nd-O-Th",
"density": 8.120652727267183,
"density_atomic": 0.062221637651777385,
"volume": 353.57475036453917,
"volume_molar": 9.678531435805073,
"formula_full": "Nd4 Th4 O14",
"formula_reduced": "Nd2Th2O7",
"formula_anonymous": "A2B2C7",
"energy": -206.71887414,
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"total_magnetization": 5.72e-05,
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"updated_at": "2021-11-28T01:37:46.495000Z",
"spacegroup": 51
},
{
"id": "mp-1218894",
"created_at": "2022-09-04T14:39:15.943410Z",
"structure_string": "Sr10 P6 O25\n1.0\n4.954588 -8.581599 0.000000\n4.954588 8.581599 0.000000\n0.000000 0.000000 7.342831\nSr P O\n10 6 25\ndirect\n0.000000 0.000000 0.509223 Sr\n0.666667 0.333333 0.989772 Sr\n0.666667 0.333333 0.502087 Sr\n0.000000 0.000000 0.998535 Sr\n0.106160 0.430867 0.755360 Sr\n0.569133 0.675293 0.755360 Sr\n0.324707 0.893840 0.755360 Sr\n0.601340 0.946269 0.248374 Sr\n0.053731 0.655071 0.248374 Sr\n0.344929 0.398660 0.248374 Sr\n0.364260 0.290844 0.748959 P\n0.709156 0.073417 0.748959 P\n0.926583 0.635740 0.748959 P\n0.301984 0.024299 0.252601 P\n0.975701 0.277685 0.252601 P\n0.722315 0.698016 0.252601 P\n0.413098 0.399259 0.578982 O\n0.600741 0.013839 0.578982 O\n0.986161 0.586902 0.578982 O\n0.247822 0.919110 0.080842 O\n0.080890 0.328712 0.080842 O\n0.671288 0.752178 0.080842 O\n0.253796 0.914050 0.419791 O\n0.085950 0.339746 0.419791 O\n0.660254 0.746204 0.419791 O\n0.421162 0.391251 0.925559 O\n0.608749 0.029911 0.925559 O\n0.970089 0.578838 0.925559 O\n0.449885 0.195576 0.739719 O\n0.804424 0.254309 0.739719 O\n0.745691 0.550115 0.739719 O\n0.210834 0.116275 0.258286 O\n0.883725 0.094559 0.258286 O\n0.905441 0.789166 0.258286 O\n0.183505 0.182655 0.752781 O\n0.817345 0.000851 0.752781 O\n0.999149 0.816495 0.752781 O\n0.481004 0.142299 0.249716 O\n0.857701 0.338706 0.249716 O\n0.661294 0.518996 0.249716 O\n0.333333 0.666667 0.793505 O\n",
"nsites": 41,
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"elements": [
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"density": 3.8880815780473044,
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"formula_full": "Sr10 P6 O25",
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"updated_at": "2021-11-28T01:34:25.241000Z",
"spacegroup": 143
},
{
"id": "mp-758742",
"created_at": "2022-09-04T14:44:07.735520Z",
"structure_string": "K2 Y2 H16 N8\n1.0\n8.463453 3.679272 0.000000\n-8.463453 3.679272 0.000000\n0.000000 2.996536 5.244237\nK Y H N\n2 2 16 8\ndirect\n0.694651 0.305349 0.250000 K\n0.305349 0.694651 0.750000 K\n0.064728 0.935272 0.750000 Y\n0.935272 0.064728 0.250000 Y\n0.664900 0.619430 0.284889 H\n0.788579 0.501455 0.733109 H\n0.872700 0.705852 0.335412 H\n0.380570 0.335100 0.215111 H\n0.956667 0.348668 0.451597 H\n0.651332 0.043333 0.048403 H\n0.294148 0.127300 0.164588 H\n0.501455 0.788579 0.233109 H\n0.498545 0.211421 0.766891 H\n0.705852 0.872700 0.835412 H\n0.348668 0.956667 0.951597 H\n0.043333 0.651332 0.548403 H\n0.619430 0.664900 0.784889 H\n0.127300 0.294148 0.664588 H\n0.211421 0.498545 0.266891 H\n0.335100 0.380570 0.715111 H\n0.947162 0.621128 0.714041 N\n0.835620 0.746183 0.203553 N\n0.621128 0.947162 0.214041 N\n0.253817 0.164380 0.296447 N\n0.746183 0.835620 0.703553 N\n0.378872 0.052838 0.785959 N\n0.164380 0.253817 0.796447 N\n0.052838 0.378872 0.285959 N\n",
"nsites": 28,
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"elements": [
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"Y",
"H",
"N"
],
"chemical_system": "H-K-N-Y",
"density": 1.953314471318325,
"density_atomic": 0.0857306750082115,
"volume": 326.6042171873497,
"volume_molar": 7.024487745399398,
"formula_full": "K2 Y2 H16 N8",
"formula_reduced": "KY(H2N)4",
"formula_anonymous": "ABC4D8",
"energy": -154.36342918,
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"updated_at": "2021-11-28T01:36:27.876000Z",
"spacegroup": 15
},
{
"id": "mp-1221130",
"created_at": "2022-09-04T14:47:11.978162Z",
"structure_string": "Na4 Li16 H40 N20\n1.0\n5.077443 0.000000 0.000000\n0.000000 5.077443 0.000000\n2.538722 2.538722 28.456802\nNa Li H N\n4 16 40 20\ndirect\n0.950333 0.450333 0.099334 Na\n0.349996 0.849996 0.300008 Na\n0.750004 0.250004 0.499992 Na\n0.149667 0.649667 0.700666 Na\n0.901589 0.401589 0.196822 Li\n0.301585 0.801585 0.396830 Li\n0.701590 0.201590 0.596821 Li\n0.100226 0.600226 0.799547 Li\n0.503300 0.003300 0.993399 Li\n0.999774 0.499774 0.000453 Li\n0.398410 0.898410 0.203179 Li\n0.798415 0.298415 0.403170 Li\n0.198411 0.698411 0.603178 Li\n0.596700 0.096700 0.806601 Li\n0.001914 0.001914 0.996172 Li\n0.399995 0.399995 0.200010 Li\n0.800000 0.800000 0.400000 Li\n0.200005 0.200005 0.599990 Li\n0.598086 0.598086 0.803828 Li\n0.550000 0.050000 0.900000 Li\n0.088534 0.840584 0.154609 H\n0.488479 0.240549 0.354611 H\n0.888455 0.640558 0.554596 H\n0.291133 0.037434 0.756228 H\n0.686343 0.432089 0.950033 H\n0.756856 0.004807 0.154609 H\n0.156909 0.404839 0.354611 H\n0.556948 0.804846 0.554596 H\n0.952640 0.206339 0.756228 H\n0.363624 0.617877 0.950033 H\n0.562566 0.647360 0.043772 H\n0.959442 0.043052 0.245404 H\n0.359451 0.443091 0.445389 H\n0.759416 0.843144 0.645391 H\n0.167911 0.236376 0.849967 H\n0.393661 0.308867 0.043772 H\n0.795154 0.711545 0.245404 H\n0.195161 0.111521 0.445389 H\n0.595193 0.511466 0.645391 H\n0.982123 0.913657 0.849967 H\n0.327900 0.679735 0.131053 H\n0.727893 0.079715 0.331058 H\n0.127881 0.479775 0.531039 H\n0.528107 0.871142 0.733263 H\n0.927133 0.272566 0.926416 H\n0.541047 0.189212 0.131053 H\n0.941049 0.589227 0.331058 H\n0.341081 0.989186 0.531039 H\n0.738630 0.395595 0.733263 H\n0.146451 0.801018 0.926416 H\n0.728858 0.861370 0.066737 H\n0.120225 0.258919 0.268961 H\n0.520285 0.658950 0.468942 H\n0.920265 0.058953 0.668947 H\n0.327434 0.453549 0.873584 H\n0.204405 0.071893 0.066737 H\n0.610814 0.472119 0.268961 H\n0.010773 0.872108 0.468942 H\n0.410788 0.272100 0.668947 H\n0.798982 0.672867 0.873584 H\n0.184497 0.662783 0.158837 N\n0.584410 0.063041 0.358886 N\n0.984412 0.463052 0.558868 N\n0.383840 0.858350 0.760989 N\n0.778655 0.252414 0.953368 N\n0.656666 0.178380 0.158837 N\n0.056704 0.578073 0.358886 N\n0.456720 0.978080 0.558868 N\n0.855172 0.380662 0.760989 N\n0.267976 0.794218 0.953368 N\n0.741650 0.744828 0.039011 N\n0.136948 0.143280 0.241132 N\n0.536959 0.543296 0.441114 N\n0.937217 0.943334 0.641163 N\n0.347586 0.332024 0.846632 N\n0.219338 0.216160 0.039011 N\n0.621920 0.615588 0.241132 N\n0.021927 0.015590 0.441114 N\n0.421620 0.415503 0.641163 N\n0.805782 0.821345 0.846632 N\n",
"nsites": 80,
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"elements": [
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"Li",
"H",
"N"
],
"chemical_system": "H-Li-N-Na",
"density": 1.184846070568232,
"density_atomic": 0.1090470149139964,
"volume": 733.6285185164829,
"volume_molar": 5.522517755070657,
"formula_full": "Na4 Li16 H40 N20",
"formula_reduced": "NaLi4(H2N)5",
"formula_anonymous": "AB4C5D10",
"energy": -383.46823408,
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