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{
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"results": [
{
"id": "mp-1094450",
"created_at": "2022-09-04T14:40:59.753530Z",
"structure_string": "Mg5 Zn1\n1.0\n1.555451 -2.694120 0.000000\n1.555451 2.694120 0.000000\n0.000000 0.000000 15.360453\nMg Zn\n5 1\ndirect\n0.000000 0.000000 0.850294 Mg\n0.666667 0.333333 0.673418 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.326582 Mg\n0.000000 0.000000 0.149706 Mg\n0.666667 0.333333 0.000000 Zn\n",
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},
{
"id": "mp-1094311",
"created_at": "2022-09-04T14:40:23.950275Z",
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"updated_at": "2021-11-28T01:34:51.918000Z",
"spacegroup": 38
},
{
"id": "mp-1026503",
"created_at": "2022-09-04T14:42:41.366626Z",
"structure_string": "Ba1 Mg14 Cd1\n1.0\n6.642472 0.000000 0.000000\n-3.321236 5.752549 0.000000\n-0.000000 -0.000000 10.545151\nBa Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ba\n0.179310 0.839654 0.125000 Mg\n0.163143 0.831571 0.625000 Mg\n0.660346 0.320690 0.125000 Mg\n0.668429 0.336857 0.625000 Mg\n0.660346 0.839654 0.125000 Mg\n0.668429 0.831571 0.625000 Mg\n0.338985 0.161015 0.389869 Mg\n0.338985 0.161015 0.860131 Mg\n0.338985 0.677970 0.389869 Mg\n0.338985 0.677970 0.860131 Mg\n0.822030 0.161015 0.389869 Mg\n0.822030 0.161015 0.860131 Mg\n0.833333 0.666667 0.370931 Mg\n0.833333 0.666667 0.879069 Mg\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ba-Cd-Mg",
"density": 2.431443240056605,
"density_atomic": 0.039707918391971575,
"volume": 402.9423008795896,
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"formula_full": "Ba1 Mg14 Cd1",
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"energy": -24.34280511,
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"spacegroup": 187
},
{
"id": "mp-972175",
"created_at": "2022-09-04T14:40:22.351668Z",
"structure_string": "Zn6 In2\n1.0\n2.975527 -5.344923 0.000000\n2.975527 5.344923 0.000000\n0.000000 0.000000 4.680068\nZn In\n6 2\ndirect\n0.847039 0.152961 0.250000 Zn\n0.308425 0.154547 0.250000 Zn\n0.845453 0.691575 0.250000 Zn\n0.152961 0.847039 0.750000 Zn\n0.691575 0.845453 0.750000 Zn\n0.154547 0.308425 0.750000 Zn\n0.666616 0.333384 0.750000 In\n0.333384 0.666616 0.250000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"volume": 148.8632538055077,
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"formula_full": "Zn6 In2",
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"spacegroup": 63
},
{
"id": "mp-1325446",
"created_at": "2022-09-04T14:47:27.033489Z",
"structure_string": "Li2 Bi8 P14 O48\n1.0\n11.005504 0.000000 0.000000\n-2.856476 10.764245 0.000000\n-3.763182 -5.558365 9.489978\nLi Bi P O\n2 8 14 48\ndirect\n0.415180 0.709050 0.617925 Li\n0.584820 0.290950 0.382075 Li\n0.494099 0.077927 0.746785 Bi\n0.014855 0.647735 0.064321 Bi\n0.484826 0.344660 0.888488 Bi\n0.024433 0.195075 0.403634 Bi\n0.975567 0.804925 0.596366 Bi\n0.515174 0.655340 0.111512 Bi\n0.985145 0.352265 0.935679 Bi\n0.505901 0.922073 0.253215 Bi\n0.224677 0.201276 0.772998 P\n0.797282 0.388890 0.425900 P\n0.777391 0.036527 0.298829 P\n0.752420 0.961635 0.763713 P\n0.740143 0.610982 0.504299 P\n0.257755 0.822654 0.140975 P\n0.261874 0.485974 0.037427 P\n0.738126 0.514026 0.962573 P\n0.742245 0.177346 0.859025 P\n0.259857 0.389018 0.495701 P\n0.247580 0.038365 0.236287 P\n0.222609 0.963473 0.701171 P\n0.202718 0.611110 0.574100 P\n0.775323 0.798724 0.227002 P\n0.183232 0.829431 0.828805 O\n0.389050 0.052628 0.605844 O\n0.339404 0.931471 0.986702 O\n0.897989 0.788339 0.124482 O\n0.635732 0.278514 0.522367 O\n0.817887 0.449061 0.276668 O\n0.332678 0.445314 0.922053 O\n0.351721 0.208086 0.799707 O\n0.818052 0.515302 0.466354 O\n0.632561 0.961255 0.726577 O\n0.697016 0.668765 0.385163 O\n0.840197 0.939807 0.233211 O\n0.849453 0.059519 0.382006 O\n0.597336 0.525111 0.641145 O\n0.133472 0.510322 0.021031 O\n0.903708 0.333597 0.445731 O\n0.130048 0.689679 0.181211 O\n0.700467 0.840274 0.906163 O\n0.817161 0.108922 0.766213 O\n0.854511 0.734839 0.486828 O\n0.884189 0.973274 0.641952 O\n0.638869 0.216889 0.807646 O\n0.621524 0.377397 0.991583 O\n0.204012 0.367390 0.186985 O\n0.795988 0.632610 0.813015 O\n0.378476 0.622603 0.008417 O\n0.361131 0.783111 0.192354 O\n0.115811 0.026726 0.358048 O\n0.145489 0.265161 0.513172 O\n0.182839 0.891078 0.233787 O\n0.299533 0.159726 0.093837 O\n0.869952 0.310321 0.818789 O\n0.096292 0.666403 0.554269 O\n0.866528 0.489678 0.978969 O\n0.402664 0.474889 0.358855 O\n0.150547 0.940481 0.617994 O\n0.159803 0.060193 0.766789 O\n0.302984 0.331235 0.614837 O\n0.367439 0.038745 0.273423 O\n0.181948 0.484698 0.533646 O\n0.648279 0.791914 0.200293 O\n0.667322 0.554686 0.077947 O\n0.182113 0.550939 0.723332 O\n0.364268 0.721486 0.477633 O\n0.102011 0.211661 0.875518 O\n0.660596 0.068529 0.013298 O\n0.610950 0.947372 0.394156 O\n0.816768 0.170569 0.171195 O\n",
"nsites": 72,
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"elements": [
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"P",
"O"
],
"chemical_system": "Bi-Li-O-P",
"density": 4.2646821163510715,
"density_atomic": 0.06404331162762099,
"volume": 1124.2391776778045,
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"formula_full": "Li2 Bi8 P14 O48",
"formula_reduced": "LiBi4P7O24",
"formula_anonymous": "AB4C7D24",
"energy": -109.55577601,
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"spacegroup": 2
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{
"id": "mp-71",
"created_at": "2022-09-04T14:47:10.254100Z",
"structure_string": "Yb1\n1.0\n-2.151483 2.151483 2.151483\n2.151483 -2.151483 2.151483\n2.151483 2.151483 -2.151483\nYb\n1\ndirect\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 1,
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"elements": [
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"density": 7.2130983871999454,
"density_atomic": 0.025103036187273695,
"volume": 39.83581876470237,
"volume_molar": 23.989690789088698,
"formula_full": "Yb1",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:58.460000Z",
"spacegroup": 229
},
{
"id": "mp-1016243",
"created_at": "2022-09-04T14:45:14.832903Z",
"structure_string": "Mg3 Zn1\n1.0\n3.094783 0.000000 0.000000\n0.000000 4.995361 0.000000\n0.000000 0.000000 5.298440\nMg Zn\n3 1\ndirect\n0.000000 0.000000 0.667825 Mg\n0.000000 0.500000 0.327622 Mg\n0.500000 0.500000 0.839083 Mg\n0.500000 0.000000 0.165470 Zn\n",
"nsites": 4,
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"spacegroup": 25
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{
"id": "mp-20132",
"created_at": "2022-09-04T14:43:52.014811Z",
"structure_string": "In1 Hg1\n1.0\n4.633699 -1.881122 0.000000\n4.633699 1.881122 0.000000\n3.870028 0.000000 3.167438\nIn Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Hg\n",
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"updated_at": "2021-11-28T01:36:22.303000Z",
"spacegroup": 166
},
{
"id": "mp-1094262",
"created_at": "2022-09-04T14:43:23.804468Z",
"structure_string": "Sr2 Mg10\n1.0\n12.632785 0.000000 -0.248885\n0.000000 3.282532 0.000000\n-2.308930 0.000000 8.040558\nSr Mg\n2 10\ndirect\n0.383922 0.000000 0.272588 Sr\n0.883922 0.500000 0.272588 Sr\n0.009830 0.000000 0.986615 Mg\n0.158888 0.500000 0.346134 Mg\n0.062338 0.000000 0.629618 Mg\n0.333950 0.000000 0.675889 Mg\n0.217739 0.500000 0.922489 Mg\n0.509830 0.500000 0.986615 Mg\n0.658888 0.000000 0.346134 Mg\n0.562338 0.500000 0.629618 Mg\n0.833950 0.500000 0.675889 Mg\n0.717739 0.000000 0.922489 Mg\n",
"nsites": 12,
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"elements": [
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"volume": 331.5356743947803,
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"formula_full": "Sr2 Mg10",
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"spacegroup": 8
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{
"id": "mp-1120813",
"created_at": "2022-09-04T14:44:09.477625Z",
"structure_string": "Br32\n1.0\n0.000000 11.553357 16.012611\n7.047216 0.000000 16.012611\n7.047216 11.553357 0.000000\nBr\n32\ndirect\n0.327723 0.306405 0.263067 Br\n0.102804 0.263067 0.306405 Br\n0.263067 0.102804 0.327723 Br\n0.306405 0.327723 0.102804 Br\n0.922277 0.943595 0.986933 Br\n0.147196 0.986933 0.943595 Br\n0.986933 0.147196 0.922277 Br\n0.943595 0.922277 0.147196 Br\n0.337623 0.438763 0.412924 Br\n0.810690 0.412924 0.438763 Br\n0.412924 0.810690 0.337623 Br\n0.438763 0.337623 0.810690 Br\n0.912377 0.811237 0.837076 Br\n0.439310 0.837076 0.811237 Br\n0.837076 0.439310 0.912377 Br\n0.811237 0.912377 0.439310 Br\n0.498359 0.396418 0.342057 Br\n0.763166 0.342057 0.396418 Br\n0.342057 0.763166 0.498359 Br\n0.396418 0.498359 0.763166 Br\n0.751641 0.853582 0.907943 Br\n0.486834 0.907943 0.853582 Br\n0.907943 0.486834 0.751641 Br\n0.853582 0.751641 0.486834 Br\n0.505913 0.521978 0.074732 Br\n0.897378 0.074732 0.521978 Br\n0.074732 0.897378 0.505913 Br\n0.521978 0.505913 0.897378 Br\n0.744087 0.728022 0.175268 Br\n0.352622 0.175268 0.728022 Br\n0.175268 0.352622 0.744087 Br\n0.728022 0.744087 0.352622 Br\n",
"nsites": 32,
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"volume": 2607.4616238076983,
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"spacegroup": 70
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{
"id": "mp-1097426",
"created_at": "2022-09-04T14:47:57.086679Z",
"structure_string": "Ca2 Hg1 Pd1\n1.0\n-5.913170 6.169882 8.703055\n5.913170 -6.169882 8.703055\n5.913170 6.169882 -8.703055\nCa Hg Pd\n2 1 1\ndirect\n0.000000 0.217905 0.217905 Ca\n0.000000 0.782095 0.782095 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"density": 0.5061944353372881,
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"volume": 1270.0737569959156,
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"formula_full": "Ca2 Hg1 Pd1",
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"updated_at": "2021-11-28T01:38:19.081000Z",
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{
"id": "mp-980034",
"created_at": "2022-09-04T14:41:28.130731Z",
"structure_string": "Yb3 Mg1\n1.0\n0.000000 4.112160 4.112160\n4.112160 0.000000 4.112160\n4.112160 4.112160 0.000000\nYb Mg\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Mg\n",
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"density": 6.488565648811588,
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"formula_full": "Yb3 Mg1",
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"formation_energy": null,
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"energy_uncorrected": -6.09485699,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 5.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.875000Z",
"spacegroup": 225
}
]
}