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{
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"results": [
{
"id": "mp-18504",
"created_at": "2022-09-04T14:47:56.490826Z",
"structure_string": "Ca12 Ge8 As16\n1.0\n18.102097 0.000000 0.000000\n0.000000 7.327755 0.000000\n0.000000 2.721789 6.831049\nCa Ge As\n12 8 16\ndirect\n0.057294 0.011991 0.744362 Ca\n0.557294 0.488009 0.255638 Ca\n0.942706 0.988009 0.255638 Ca\n0.442706 0.511991 0.744362 Ca\n0.063017 0.498286 0.263689 Ca\n0.563017 0.001714 0.736311 Ca\n0.936983 0.501714 0.736311 Ca\n0.436983 0.998286 0.263689 Ca\n0.183260 0.513372 0.783417 Ca\n0.683260 0.986628 0.216583 Ca\n0.816740 0.486628 0.216583 Ca\n0.316740 0.013372 0.783417 Ca\n0.258742 0.579564 0.319685 Ge\n0.758742 0.920436 0.680315 Ge\n0.741258 0.420436 0.680315 Ge\n0.241258 0.079564 0.319685 Ge\n0.626774 0.530633 0.790706 Ge\n0.126774 0.969367 0.209294 Ge\n0.373226 0.469367 0.209294 Ge\n0.873226 0.030633 0.790706 Ge\n0.194819 0.267070 0.518665 As\n0.694819 0.232930 0.481335 As\n0.805181 0.732930 0.481335 As\n0.305181 0.767070 0.518665 As\n0.313701 0.277843 0.027123 As\n0.813701 0.222157 0.972877 As\n0.686299 0.722157 0.972877 As\n0.186299 0.777843 0.027123 As\n0.058777 0.257729 0.001070 As\n0.558777 0.242271 0.998930 As\n0.941223 0.742271 0.998930 As\n0.441223 0.757729 0.001070 As\n0.065704 0.751025 0.508259 As\n0.565704 0.748975 0.491741 As\n0.934296 0.248975 0.491741 As\n0.434296 0.251025 0.508259 As\n",
"nsites": 36,
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"elements": [
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],
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"density": 4.143089551458149,
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"volume": 906.1231556799256,
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"formula_full": "Ca12 Ge8 As16",
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"updated_at": "2021-11-28T01:38:18.254000Z",
"spacegroup": 14
},
{
"id": "mp-1225427",
"created_at": "2022-09-04T14:47:56.494637Z",
"structure_string": "Dy2 Ga1 Cu3\n1.0\n2.158041 4.951894 0.000000\n-2.158041 4.951894 0.000000\n0.000000 4.614528 5.139574\nDy Ga Cu\n2 1 3\ndirect\n0.458778 0.458778 0.794221 Dy\n0.541853 0.541853 0.206220 Dy\n0.832079 0.832079 0.613398 Ga\n0.164446 0.164446 0.386478 Cu\n0.166160 0.166160 0.784696 Cu\n0.836686 0.836686 0.214986 Cu\n",
"nsites": 6,
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"elements": [
"Dy",
"Ga",
"Cu"
],
"chemical_system": "Cu-Dy-Ga",
"density": 8.848807170031801,
"density_atomic": 0.054621434316031524,
"volume": 109.84698727032486,
"volume_molar": 11.025233656730409,
"formula_full": "Dy2 Ga1 Cu3",
"formula_reduced": "Dy2GaCu3",
"formula_anonymous": "AB2C3",
"energy": -26.78694813,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 1.97e-05,
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"updated_at": "2021-11-28T01:38:16.363000Z",
"spacegroup": 8
},
{
"id": "mp-1173997",
"created_at": "2022-09-04T14:47:56.507470Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n2.916239 0.000000 0.000000\n0.000000 5.104057 0.000000\n0.000000 1.870358 9.586124\nLi Mn Co O\n5 1 2 8\ndirect\n0.000000 0.250529 0.257082 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.749471 0.742918 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.726578 0.266190 Co\n0.500000 0.273422 0.733810 Co\n0.000000 0.872522 0.362612 O\n0.500000 0.605281 0.636837 O\n0.000000 0.344017 0.877029 O\n0.500000 0.105236 0.111495 O\n0.000000 0.655983 0.122971 O\n0.500000 0.394719 0.363163 O\n0.000000 0.127478 0.637388 O\n0.500000 0.894764 0.888505 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.904504699885787,
"density_atomic": 0.11213425726375206,
"volume": 142.6861013790482,
"volume_molar": 5.3704736687516155,
"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy": -101.81576249,
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"updated_at": "2021-11-28T01:38:18.092000Z",
"spacegroup": 10
},
{
"id": "mp-1028357",
"created_at": "2022-09-04T14:47:56.566264Z",
"structure_string": "Mg14 Ni1 Sb1\n1.0\n6.246886 -0.031508 0.000000\n-3.150729 5.457223 0.000000\n0.000000 0.000000 10.263583\nMg Ni Sb\n14 1 1\ndirect\n0.168425 0.334212 0.625000 Mg\n0.169276 0.834638 0.625000 Mg\n0.672877 0.337341 0.125000 Mg\n0.665042 0.331119 0.625000 Mg\n0.672877 0.835535 0.125000 Mg\n0.665042 0.833922 0.625000 Mg\n0.328991 0.173190 0.363130 Mg\n0.328991 0.173190 0.886870 Mg\n0.328991 0.655802 0.363130 Mg\n0.328991 0.655802 0.886870 Mg\n0.841818 0.170910 0.365472 Mg\n0.841818 0.170910 0.884528 Mg\n0.830876 0.665438 0.380060 Mg\n0.830876 0.665438 0.869940 Mg\n0.164373 0.332186 0.125000 Ni\n0.160735 0.830367 0.125000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ni",
"Sb"
],
"chemical_system": "Mg-Ni-Sb",
"density": 2.4784972268762586,
"density_atomic": 0.04586191956398055,
"volume": 348.8733169504363,
"volume_molar": 13.131026388022633,
"formula_full": "Mg14 Ni1 Sb1",
"formula_reduced": "Mg14NiSb",
"formula_anonymous": "ABC14",
"energy": -32.71421797,
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"updated_at": "2021-11-28T01:38:16.451000Z",
"spacegroup": 38
},
{
"id": "mp-1177476",
"created_at": "2022-09-04T14:47:56.591760Z",
"structure_string": "Li3 V5 O12\n1.0\n5.038595 0.000000 0.000000\n-0.053258 5.360733 0.000000\n-0.060691 -0.715259 7.369591\nLi V O\n3 5 12\ndirect\n0.503699 0.070687 0.211988 Li\n0.004067 0.572149 0.214974 Li\n0.497131 0.070495 0.712013 Li\n0.004960 0.010764 0.996398 V\n0.490381 0.488364 0.499018 V\n0.996007 0.998109 0.482019 V\n0.510005 0.504367 0.010550 V\n0.000321 0.592595 0.713005 V\n0.288585 0.778519 0.590245 O\n0.124745 0.964078 0.263834 O\n0.309068 0.154124 0.959127 O\n0.180654 0.277339 0.587569 O\n0.811583 0.268056 0.077377 O\n0.384999 0.461552 0.268393 O\n0.635654 0.460160 0.756347 O\n0.172672 0.648274 0.952079 O\n0.828835 0.662113 0.467874 O\n0.692137 0.773509 0.080928 O\n0.870445 0.957335 0.773752 O\n0.694054 0.146612 0.452911 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Li-O-V",
"density": 3.9000964101211304,
"density_atomic": 0.10047383549627031,
"volume": 199.05679823223647,
"volume_molar": 5.993740290947236,
"formula_full": "Li3 V5 O12",
"formula_reduced": "Li3V5O12",
"formula_anonymous": "A3B5C12",
"energy": -158.92858194,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:15.345000Z",
"spacegroup": 1
},
{
"id": "mp-776037",
"created_at": "2022-09-04T14:47:56.592518Z",
"structure_string": "Li6 V24 O60\n1.0\n8.092340 0.000000 0.000000\n-3.261989 -9.798930 0.000000\n-3.340600 1.100651 -14.262673\nLi V O\n6 24 60\ndirect\n0.885930 0.674240 0.485082 Li\n0.881736 0.677393 0.235610 Li\n0.885304 0.675139 0.984921 Li\n0.114070 0.325760 0.514918 Li\n0.118264 0.322607 0.764390 Li\n0.114696 0.324861 0.015079 Li\n0.329296 0.897706 0.540780 V\n0.324793 0.895768 0.790649 V\n0.328468 0.897890 0.041376 V\n0.331900 0.898140 0.291482 V\n0.765239 0.889357 0.095065 V\n0.766047 0.885786 0.595288 V\n0.770963 0.892620 0.346955 V\n0.771509 0.890599 0.846603 V\n0.427716 0.592869 0.053233 V\n0.431767 0.593445 0.803434 V\n0.430560 0.593306 0.554326 V\n0.420669 0.589065 0.302387 V\n0.569440 0.406694 0.445674 V\n0.572284 0.407131 0.946767 V\n0.579331 0.410935 0.697613 V\n0.568233 0.406555 0.196566 V\n0.228491 0.109401 0.153397 V\n0.234761 0.110643 0.904935 V\n0.233953 0.114214 0.404712 V\n0.229037 0.107380 0.653045 V\n0.668100 0.101860 0.708518 V\n0.675207 0.104232 0.209351 V\n0.670704 0.102294 0.459220 V\n0.671532 0.102110 0.958624 V\n0.368379 0.950082 0.674469 O\n0.375533 0.953223 0.918260 O\n0.367693 0.949133 0.175255 O\n0.378634 0.953229 0.418363 O\n0.129060 0.781556 0.512661 O\n0.128588 0.781007 0.015658 O\n0.127671 0.783380 0.767648 O\n0.130533 0.785667 0.268947 O\n0.734517 0.924794 0.716843 O\n0.735518 0.926822 0.217473 O\n0.734313 0.926885 0.466586 O\n0.734089 0.927068 0.966357 O\n0.477819 0.774641 0.559942 O\n0.471052 0.776680 0.808662 O\n0.477390 0.774103 0.059625 O\n0.471550 0.776380 0.308893 O\n0.787148 0.732665 0.589168 O\n0.784078 0.734556 0.856991 O\n0.791923 0.734024 0.099288 O\n0.792266 0.735849 0.349074 O\n0.213947 0.524617 0.775836 O\n0.209519 0.527020 0.024931 O\n0.211992 0.527075 0.528759 O\n0.205019 0.530423 0.275148 O\n0.493827 0.574995 0.936107 O\n0.489019 0.573445 0.435075 O\n0.497946 0.578189 0.688421 O\n0.490498 0.575240 0.186698 O\n0.510981 0.426555 0.564925 O\n0.509502 0.424760 0.813302 O\n0.506173 0.425005 0.063893 O\n0.502054 0.421811 0.311579 O\n0.794981 0.469577 0.724852 O\n0.790481 0.472980 0.975069 O\n0.788008 0.472925 0.471241 O\n0.786053 0.475383 0.224164 O\n0.207734 0.264151 0.650926 O\n0.208077 0.265976 0.900712 O\n0.215922 0.265444 0.143009 O\n0.212852 0.267335 0.410832 O\n0.528450 0.223620 0.691107 O\n0.522610 0.225897 0.940375 O\n0.522181 0.225359 0.440058 O\n0.528948 0.223320 0.191338 O\n0.265687 0.073115 0.533414 O\n0.265911 0.072932 0.033643 O\n0.264482 0.073178 0.782527 O\n0.265483 0.075206 0.283157 O\n0.869467 0.214333 0.731053 O\n0.872329 0.216620 0.232352 O\n0.870940 0.218444 0.487339 O\n0.871412 0.218993 0.984342 O\n0.001241 0.997102 0.875738 O\n0.999603 0.998440 0.624242 O\n0.000397 0.001560 0.375758 O\n0.998759 0.002898 0.124262 O\n0.624467 0.046777 0.081740 O\n0.621366 0.046771 0.581637 O\n0.632307 0.050867 0.824745 O\n0.631621 0.049918 0.325531 O\n",
"nsites": 90,
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"elements": [
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],
"chemical_system": "Li-O-V",
"density": 3.2656557650948415,
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"volume": 1130.9768147160655,
"volume_molar": 7.567668416129539,
"formula_full": "Li6 V24 O60",
"formula_reduced": "LiV4O10",
"formula_anonymous": "AB4C10",
"energy": -738.2684439999999,
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"updated_at": "2021-11-28T01:38:18.520000Z",
"spacegroup": 2
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{
"id": "mp-1638651",
"created_at": "2022-09-04T14:47:56.473468Z",
"structure_string": "Li4 Cr2 Co4 O12\n1.0\n2.546830 4.557133 0.001342\n0.003606 0.003139 10.167109\n2.472018 -4.497463 -0.000095\nLi Cr Co O\n4 2 4 12\ndirect\n0.630531 0.748238 0.490509 Li\n0.870785 0.248116 0.511845 Li\n0.131144 0.751860 0.491752 Li\n0.366827 0.251746 0.505055 Li\n0.506008 0.500087 0.013147 Cr\n0.994343 0.000451 0.987122 Cr\n0.166444 0.499271 0.338038 Co\n0.840755 0.500460 0.672737 Co\n0.659248 0.000817 0.327348 Co\n0.333450 0.999430 0.661945 Co\n0.168803 0.593285 0.013801 O\n0.330712 0.093652 0.985715 O\n0.642786 0.905438 0.963070 O\n0.858019 0.404707 0.037678 O\n0.321289 0.893855 0.344754 O\n0.538008 0.390049 0.361883 O\n0.826257 0.612535 0.348753 O\n0.031926 0.104753 0.352551 O\n0.673403 0.112814 0.650796 O\n0.962518 0.890249 0.638777 O\n0.178934 0.393663 0.655426 O\n0.467810 0.604524 0.647299 O\n",
"nsites": 22,
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"elements": [
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"Co",
"O"
],
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"density": 4.02195459806357,
"density_atomic": 0.09524118694647055,
"volume": 230.99250130476537,
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"formula_full": "Li4 Cr2 Co4 O12",
"formula_reduced": "Li2Cr(CoO3)2",
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"energy": -152.20225266,
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"updated_at": "2021-11-28T01:38:21.285000Z",
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{
"id": "mp-865177",
"created_at": "2022-09-04T14:47:56.479043Z",
"structure_string": "Gd4 Ni4 B16\n1.0\n-3.786251 3.786251 4.271838\n3.786251 -3.786251 4.271838\n3.786251 3.786251 -4.271838\nGd Ni B\n4 4 16\ndirect\n0.203401 0.203401 0.000000 Gd\n0.796599 0.796599 0.000000 Gd\n0.750000 0.250000 0.500000 Gd\n0.250000 0.750000 0.500000 Gd\n0.500000 0.271456 0.771456 Ni\n0.500000 0.728544 0.228544 Ni\n0.728544 0.500000 0.228544 Ni\n0.271456 0.500000 0.771456 Ni\n0.111637 0.275611 0.387248 B\n0.888363 0.724389 0.612752 B\n0.888363 0.275611 0.163975 B\n0.111637 0.724389 0.836025 B\n0.724389 0.888363 0.612752 B\n0.275611 0.111637 0.387248 B\n0.724389 0.111637 0.836025 B\n0.275611 0.888363 0.163975 B\n0.418073 0.418073 0.531254 B\n0.886819 0.886819 0.468746 B\n0.581927 0.113181 0.000000 B\n0.113181 0.581927 0.000000 B\n0.581927 0.581927 0.468746 B\n0.113181 0.113181 0.531254 B\n0.886819 0.418073 0.000000 B\n0.418073 0.886819 0.000000 B\n",
"nsites": 24,
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"elements": [
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"formula_full": "Gd4 Ni4 B16",
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{
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{
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"structure_string": "Ce2 Mn2 Si4\n1.0\n2.033522 -8.584124 0.000000\n2.033522 8.584124 0.000000\n0.000000 0.000000 3.984818\nCe Mn Si\n2 2 4\ndirect\n0.103090 0.896910 0.250000 Ce\n0.896910 0.103090 0.750000 Ce\n0.248726 0.751274 0.750000 Mn\n0.751274 0.248726 0.250000 Mn\n0.322679 0.677321 0.250000 Si\n0.677321 0.322679 0.750000 Si\n0.535767 0.464233 0.750000 Si\n0.464233 0.535767 0.250000 Si\n",
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{
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"structure_string": "Li4 Cr4 P8 O32\n1.0\n5.182686 0.000000 0.000000\n0.000000 10.526597 0.000000\n0.000000 0.000000 11.085474\nLi Cr P O\n4 4 8 32\ndirect\n0.780641 0.734088 0.109767 Li\n0.219359 0.234088 0.390233 Li\n0.719359 0.265912 0.609767 Li\n0.280641 0.765912 0.890233 Li\n0.233708 0.402605 0.142938 Cr\n0.766292 0.902605 0.357062 Cr\n0.266292 0.597395 0.642938 Cr\n0.733708 0.097395 0.857062 Cr\n0.239543 0.092264 0.038419 P\n0.257170 0.859506 0.175290 P\n0.742830 0.359506 0.324710 P\n0.760457 0.592264 0.461581 P\n0.260457 0.907736 0.538419 P\n0.242830 0.140494 0.675290 P\n0.757170 0.640494 0.824710 P\n0.739543 0.407736 0.961581 P\n0.988073 0.052690 0.977608 O\n0.975772 0.458180 0.029722 O\n0.204684 0.796837 0.055756 O\n0.254970 0.230738 0.070878 O\n0.245163 0.014001 0.164159 O\n0.245901 0.535565 0.212636 O\n0.963580 0.324079 0.237596 O\n0.524730 0.826380 0.227067 O\n0.475270 0.326380 0.272933 O\n0.036420 0.824079 0.262404 O\n0.754099 0.035565 0.287364 O\n0.754837 0.514001 0.335841 O\n0.745030 0.730738 0.429122 O\n0.795316 0.296837 0.444244 O\n0.024228 0.958180 0.470278 O\n0.011927 0.552690 0.522392 O\n0.511927 0.947310 0.477608 O\n0.524228 0.541820 0.529722 O\n0.295316 0.203163 0.555756 O\n0.245030 0.769262 0.570878 O\n0.254837 0.985999 0.664159 O\n0.254099 0.464435 0.712636 O\n0.536420 0.675921 0.737596 O\n0.975270 0.173620 0.727067 O\n0.024730 0.673620 0.772933 O\n0.463580 0.175921 0.762404 O\n0.745901 0.964435 0.787364 O\n0.745163 0.485999 0.835841 O\n0.754970 0.269262 0.929122 O\n0.704684 0.703163 0.944244 O\n0.475772 0.041820 0.970278 O\n0.488073 0.447310 0.022392 O\n",
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{
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]
}