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{
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"results": [
{
"id": "mp-1212639",
"created_at": "2022-09-04T14:40:43.083563Z",
"structure_string": "K8 Cu4 Cl16\n1.0\n7.053558 0.000000 0.000000\n0.000000 9.346490 0.000000\n0.000000 0.000000 12.171774\nK Cu Cl\n8 4 16\ndirect\n0.250000 0.994064 0.172825 K\n0.750000 0.005936 0.827175 K\n0.750000 0.505936 0.672825 K\n0.250000 0.494064 0.327175 K\n0.250000 0.647009 0.916683 K\n0.750000 0.352991 0.083317 K\n0.750000 0.852991 0.416683 K\n0.250000 0.147009 0.583317 K\n0.250000 0.724773 0.575005 Cu\n0.750000 0.275227 0.424995 Cu\n0.750000 0.775227 0.075005 Cu\n0.250000 0.224773 0.924995 Cu\n0.981435 0.804120 0.652586 Cl\n0.018565 0.195880 0.347414 Cl\n0.018565 0.695880 0.152586 Cl\n0.481435 0.195880 0.347414 Cl\n0.981435 0.304120 0.847414 Cl\n0.518565 0.804120 0.652586 Cl\n0.518565 0.304120 0.847414 Cl\n0.481435 0.695880 0.152586 Cl\n0.250000 0.484609 0.597460 Cl\n0.750000 0.515391 0.402540 Cl\n0.750000 0.015391 0.097460 Cl\n0.250000 0.984609 0.902540 Cl\n0.250000 0.332765 0.090028 Cl\n0.750000 0.667235 0.909972 Cl\n0.750000 0.167235 0.590028 Cl\n0.250000 0.832765 0.409972 Cl\n",
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"elements": [
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"Cl"
],
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"density": 2.347119050509557,
"density_atomic": 0.034893727399490336,
"volume": 802.4364860604996,
"volume_molar": 17.25851953577181,
"formula_full": "K8 Cu4 Cl16",
"formula_reduced": "K2CuCl4",
"formula_anonymous": "AB2C4",
"energy": -101.19320715,
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"spacegroup": 62
},
{
"id": "mp-770912",
"created_at": "2022-09-04T14:40:52.133657Z",
"structure_string": "Na8 Mn4 Si4 C4 O28\n1.0\n0.160497 6.449069 5.222396\n0.160497 -6.449069 5.222396\n8.879326 0.000000 -5.172466\nNa Mn Si C O\n8 4 4 4 28\ndirect\n0.248596 0.234861 0.241619 Na\n0.748596 0.734861 0.241619 Na\n0.484861 0.998596 0.241619 Na\n0.984861 0.498596 0.241619 Na\n0.015139 0.501404 0.758381 Na\n0.515139 0.001404 0.758381 Na\n0.251404 0.265139 0.758381 Na\n0.751404 0.765139 0.758381 Na\n0.445208 0.695208 0.349212 Mn\n0.054792 0.804792 0.650788 Mn\n0.945208 0.195208 0.349212 Mn\n0.554792 0.304792 0.650788 Mn\n0.697566 0.447566 0.429562 Si\n0.197566 0.947566 0.429562 Si\n0.802434 0.052434 0.570438 Si\n0.302434 0.552434 0.570438 Si\n0.777625 0.027625 0.080643 C\n0.277625 0.527625 0.080643 C\n0.722375 0.472375 0.919357 C\n0.222375 0.972375 0.919357 C\n0.307707 0.057707 0.054950 O\n0.807707 0.557707 0.054950 O\n0.192293 0.442293 0.945050 O\n0.692293 0.942293 0.945050 O\n0.920120 0.170120 0.140278 O\n0.420120 0.670120 0.140278 O\n0.579880 0.329880 0.859722 O\n0.079880 0.829880 0.859722 O\n0.734970 0.984970 0.183140 O\n0.234970 0.484970 0.183140 O\n0.765030 0.515030 0.816860 O\n0.265030 0.015030 0.816860 O\n0.649215 0.899215 0.413980 O\n0.149215 0.399215 0.413980 O\n0.850785 0.600785 0.586020 O\n0.350785 0.100785 0.586020 O\n0.558939 0.308939 0.466692 O\n0.058939 0.808939 0.466692 O\n0.941061 0.191061 0.533308 O\n0.441061 0.691061 0.533308 O\n0.583852 0.536944 0.328165 O\n0.083852 0.036944 0.328165 O\n0.786944 0.333852 0.328165 O\n0.286944 0.833852 0.328165 O\n0.713056 0.166148 0.671835 O\n0.213056 0.666148 0.671835 O\n0.916148 0.963056 0.671835 O\n0.416148 0.463056 0.671835 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Mn",
"Si",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-Si",
"density": 2.760342931721539,
"density_atomic": 0.07884210606987077,
"volume": 608.8117427692996,
"volume_molar": 7.638229190203406,
"formula_full": "Na8 Mn4 Si4 C4 O28",
"formula_reduced": "Na2MnSiCO7",
"formula_anonymous": "ABCD2E7",
"energy": -354.09440531,
"energy_per_atom": -7.376966777291667,
"energy_above_hull": null,
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"energy_uncorrected": -328.18640531,
"band_gap": 0.736,
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"is_magnetic": true,
"total_magnetization": 9e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.921000Z",
"spacegroup": 11
},
{
"id": "mp-1104698",
"created_at": "2022-09-04T14:40:52.139977Z",
"structure_string": "Eu9 Pt6\n1.0\n6.359105 -4.597415 0.000000\n6.359105 4.597415 0.000000\n3.035332 0.000000 7.236104\nEu Pt\n9 6\ndirect\n0.000000 0.000000 0.000000 Eu\n0.797827 0.797827 0.797827 Eu\n0.202173 0.202173 0.202173 Eu\n0.332557 0.604049 0.843572 Eu\n0.843572 0.332557 0.604049 Eu\n0.604049 0.843572 0.332557 Eu\n0.667443 0.395951 0.156428 Eu\n0.156428 0.667443 0.395951 Eu\n0.395951 0.156428 0.667443 Eu\n0.158204 0.956510 0.590267 Pt\n0.590267 0.158204 0.956510 Pt\n0.956510 0.590267 0.158204 Pt\n0.841796 0.043490 0.409733 Pt\n0.409733 0.841796 0.043490 Pt\n0.043490 0.409733 0.841796 Pt\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Eu",
"Pt"
],
"chemical_system": "Eu-Pt",
"density": 9.96155219719594,
"density_atomic": 0.035452491277410854,
"volume": 423.1014368673578,
"volume_molar": 16.986509390489882,
"formula_full": "Eu9 Pt6",
"formula_reduced": "Eu3Pt2",
"formula_anonymous": "A2B3",
"energy": -141.97117971,
"energy_per_atom": -9.464745314,
"energy_above_hull": null,
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"energy_uncorrected": -141.97117971,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 63.3766319,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.428000Z",
"spacegroup": 148
},
{
"id": "mp-1206760",
"created_at": "2022-09-04T14:40:52.141729Z",
"structure_string": "Ba3 Mn1 F6\n1.0\n2.039665 3.095138 -6.797275\n-3.449917 -6.068433 3.979505\n-3.923543 6.335722 -1.833322\nBa Mn F\n3 1 6\ndirect\n0.500000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Mn\n0.757290 0.945919 0.272358 F\n0.242710 0.054081 0.727642 F\n0.612459 0.699230 0.773244 F\n0.387541 0.300770 0.226756 F\n0.925591 0.631473 0.916785 F\n0.074409 0.368527 0.083215 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"F"
],
"chemical_system": "Ba-F-Mn",
"density": 4.51227708494182,
"density_atomic": 0.046777629626769505,
"volume": 213.777399149727,
"volume_molar": 12.873975889863603,
"formula_full": "Ba3 Mn1 F6",
"formula_reduced": "Ba3MnF6",
"formula_anonymous": "AB3C6",
"energy": -58.1675799,
"energy_per_atom": -5.81675799,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:35:01.557000Z",
"spacegroup": 2
},
{
"id": "mp-1174291",
"created_at": "2022-09-04T14:40:44.091939Z",
"structure_string": "Li8 Co6 O14\n1.0\n1.443651 4.883861 0.000000\n-1.443651 4.883861 0.000000\n0.000000 1.653886 17.156211\nLi Co O\n8 6 14\ndirect\n0.288742 0.288742 0.431280 Li\n0.711258 0.711258 0.568720 Li\n0.143658 0.143658 0.712842 Li\n0.571282 0.571282 0.856908 Li\n0.000000 0.000000 0.000000 Li\n0.428718 0.428718 0.143092 Li\n0.856342 0.856342 0.287158 Li\n0.000000 0.000000 0.500000 Li\n0.570341 0.570341 0.364717 Co\n0.429659 0.429659 0.635283 Co\n0.856325 0.856325 0.786912 Co\n0.284120 0.284120 0.929465 Co\n0.715880 0.715880 0.070535 Co\n0.143675 0.143675 0.213088 Co\n0.200597 0.200597 0.315286 O\n0.642762 0.642762 0.455261 O\n0.061441 0.061441 0.610887 O\n0.484390 0.484390 0.750068 O\n0.909446 0.909446 0.893791 O\n0.340503 0.340503 0.034716 O\n0.774283 0.774283 0.174754 O\n0.357238 0.357238 0.544739 O\n0.799403 0.799403 0.684714 O\n0.225717 0.225717 0.825246 O\n0.659497 0.659497 0.965284 O\n0.090554 0.090554 0.106209 O\n0.515610 0.515610 0.249932 O\n0.938559 0.938559 0.389113 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.345676576164625,
"density_atomic": 0.11573937846574654,
"volume": 241.92284744544997,
"volume_molar": 5.203190858487521,
"formula_full": "Li8 Co6 O14",
"formula_reduced": "Li4Co3O7",
"formula_anonymous": "A3B4C7",
"energy": -174.9323857,
"energy_per_atom": -6.247585203571428,
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"energy_uncorrected": -155.4863857,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:08.928000Z",
"spacegroup": 12
},
{
"id": "mp-1520732",
"created_at": "2022-09-04T14:40:43.106569Z",
"structure_string": "Sr2 Ca2 Gd2 Bi2 O12\n1.0\n5.885010 -0.000799 0.010647\n0.005663 6.069653 0.000735\n0.025855 0.008989 8.465597\nSr Ca Gd Bi O\n2 2 2 2 12\ndirect\n0.511301 0.550899 0.250300 Sr\n0.488699 0.449101 0.749700 Sr\n0.985244 0.049982 0.248232 Ca\n0.014756 0.950018 0.751768 Ca\n0.500000 0.000000 -0.000000 Gd\n-0.000000 0.500000 0.500000 Gd\n-0.000000 0.500000 -0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.183389 0.204072 0.936323 O\n0.312352 0.707814 0.555755 O\n0.816611 0.795928 0.063677 O\n0.687648 0.292186 0.444245 O\n0.293654 0.694176 0.948029 O\n0.204960 0.189219 0.564845 O\n0.706346 0.305824 0.051971 O\n0.795040 0.810781 0.435155 O\n0.378328 0.964483 0.259910 O\n0.100245 0.440674 0.240829 O\n0.621672 0.035517 0.740090 O\n0.899755 0.559326 0.759171 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Ca",
"Gd",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Gd-O-Sr",
"density": 6.479022499331974,
"density_atomic": 0.06613993087198199,
"volume": 302.38918813978296,
"volume_molar": 9.105151276399477,
"formula_full": "Sr2 Ca2 Gd2 Bi2 O12",
"formula_reduced": "SrCaGdBiO6",
"formula_anonymous": "ABCDE6",
"energy": -159.1419899,
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"updated_at": "2021-11-28T01:35:10.515000Z",
"spacegroup": 2
},
{
"id": "mp-1048915",
"created_at": "2022-09-04T14:40:43.036872Z",
"structure_string": "Ca4 Mn8 P8 O32\n1.0\n2.547062 8.745021 0.000000\n-2.547062 8.745021 0.000000\n0.000000 8.320090 15.376993\nCa Mn P O\n4 8 8 32\ndirect\n0.480367 0.833905 0.855726 Ca\n0.164899 0.516185 0.645413 Ca\n0.833905 0.480367 0.355726 Ca\n0.516185 0.164899 0.145413 Ca\n0.197473 0.616363 0.960468 Mn\n0.383407 0.799859 0.539357 Mn\n0.799859 0.383407 0.039357 Mn\n0.504403 0.001946 0.998756 Mn\n0.616363 0.197473 0.460468 Mn\n0.651827 0.347450 0.249972 Mn\n0.347450 0.651827 0.749972 Mn\n0.001946 0.504403 0.498756 Mn\n0.049964 0.514204 0.867292 P\n0.770265 0.194034 0.609144 P\n0.947153 0.486065 0.133523 P\n0.194034 0.770265 0.109144 P\n0.514204 0.049964 0.367292 P\n0.486065 0.947153 0.633523 P\n0.226182 0.805265 0.391071 P\n0.805265 0.226182 0.891071 P\n0.698900 0.805200 0.107558 O\n0.797354 0.357653 0.928514 O\n0.805200 0.698900 0.607558 O\n0.805601 0.350240 0.538570 O\n0.190258 0.360207 0.055379 O\n0.565271 0.343631 0.688891 O\n0.648097 0.189277 0.960046 O\n0.886207 0.062864 0.129569 O\n0.189277 0.648097 0.460046 O\n0.640724 0.196159 0.573215 O\n0.869449 0.376400 0.144669 O\n0.602959 0.949922 0.287480 O\n0.196159 0.640724 0.073215 O\n0.062864 0.886207 0.629569 O\n0.299894 0.195421 0.893557 O\n0.124292 0.627751 0.855367 O\n0.949922 0.602959 0.787480 O\n0.350240 0.805601 0.038570 O\n0.376400 0.869449 0.644669 O\n0.398524 0.045466 0.712731 O\n0.934136 0.113428 0.370200 O\n0.360207 0.190258 0.555379 O\n0.113428 0.934136 0.870200 O\n0.343631 0.565271 0.188891 O\n0.357653 0.797354 0.428514 O\n0.195421 0.299894 0.393557 O\n0.045466 0.398524 0.212731 O\n0.642628 0.805141 0.445381 O\n0.805141 0.642628 0.945381 O\n0.654638 0.433288 0.810927 O\n0.433288 0.654638 0.310927 O\n0.627751 0.124292 0.355367 O\n",
"nsites": 52,
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"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Ca-Mn-O-P",
"density": 3.295751033455945,
"density_atomic": 0.07591044861138312,
"volume": 685.0176879629502,
"volume_molar": 7.933217192312776,
"formula_full": "Ca4 Mn8 P8 O32",
"formula_reduced": "CaMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -428.0748520099999,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:08.386000Z",
"spacegroup": 9
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{
"id": "mp-582464",
"created_at": "2022-09-04T14:40:44.115095Z",
"structure_string": "Nd1 Gd2\n1.0\n2.130048 -3.689352 0.000000\n2.130048 3.689352 0.000000\n0.000000 0.000000 4.267532\nNd Gd\n1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.500000 Gd\n0.666667 0.333333 0.500000 Gd\n",
"nsites": 3,
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"elements": [
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"density": 11.357201621195623,
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"volume": 67.07277354912569,
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"formula_full": "Nd1 Gd2",
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"formula_anonymous": "AB2",
"energy": -27.95627666,
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"updated_at": "2021-11-28T01:35:10.642000Z",
"spacegroup": 191
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{
"id": "mp-758849",
"created_at": "2022-09-04T14:40:43.062630Z",
"structure_string": "Cu2 Sn2 P4 O16\n1.0\n6.095140 0.000000 0.000000\n0.000000 4.957332 0.000000\n0.000000 0.334510 10.050185\nCu Sn P O\n2 2 4 16\ndirect\n0.250000 0.896662 0.707209 Cu\n0.750000 0.103338 0.292791 Cu\n0.750000 0.461825 0.781951 Sn\n0.250000 0.538175 0.218049 Sn\n0.250000 0.410627 0.898161 P\n0.750000 0.917038 0.595337 P\n0.250000 0.082962 0.404663 P\n0.750000 0.589373 0.101839 P\n0.750000 0.674489 0.951249 O\n0.250000 0.717368 0.879657 O\n0.045803 0.275609 0.831503 O\n0.454197 0.275609 0.831503 O\n0.943291 0.760787 0.671300 O\n0.556709 0.760787 0.671300 O\n0.750000 0.221314 0.620323 O\n0.250000 0.133893 0.552435 O\n0.750000 0.866107 0.447565 O\n0.250000 0.778686 0.379677 O\n0.056709 0.239213 0.328700 O\n0.443291 0.239213 0.328700 O\n0.545803 0.724391 0.168497 O\n0.954197 0.724391 0.168497 O\n0.750000 0.282632 0.120343 O\n0.250000 0.325511 0.048751 O\n",
"nsites": 24,
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"elements": [
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],
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"volume": 303.6726971851488,
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"formula_full": "Cu2 Sn2 P4 O16",
"formula_reduced": "CuSn(PO4)2",
"formula_anonymous": "ABC2D8",
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},
{
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"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n6.324956 5.865618 0.000000\n-6.324956 5.865618 0.000000\n0.000000 5.159077 11.654564\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.994333 0.006358 0.748143 Li\n0.993642 0.005667 0.251857 Li\n0.713783 0.286217 0.500000 Li\n0.500235 0.501759 0.623583 Li\n0.712001 0.287999 0.000000 Li\n0.498241 0.499765 0.376417 Li\n0.288891 0.713892 0.748418 Li\n0.499736 0.499915 0.125154 Li\n0.500085 0.500264 0.874846 Li\n0.286108 0.711109 0.251582 Li\n0.006103 0.993897 0.500000 Li\n0.006825 0.993175 0.000000 Li\n0.624529 0.942247 0.441810 Mn\n0.057753 0.375471 0.558190 Mn\n0.942600 0.621706 0.694749 V\n0.942642 0.620083 0.196453 V\n0.379917 0.057358 0.803547 V\n0.619569 0.942760 0.945156 V\n0.378294 0.057400 0.305251 V\n0.057240 0.380431 0.054844 V\n0.715432 0.287129 0.749875 P\n0.864907 0.663299 0.442854 P\n0.660784 0.862546 0.692572 P\n0.712871 0.284568 0.250125 P\n0.862443 0.661337 0.943193 P\n0.660652 0.861763 0.193447 P\n0.336701 0.135093 0.557146 P\n0.138237 0.339348 0.806553 P\n0.285347 0.714653 0.500000 P\n0.338663 0.137557 0.056807 P\n0.137454 0.339216 0.307428 P\n0.285457 0.714543 0.000000 P\n0.987785 0.659702 0.829726 O\n0.947323 0.607085 0.539469 O\n0.743322 0.171057 0.857792 O\n0.989760 0.655478 0.329887 O\n0.829643 0.261687 0.638998 O\n0.843407 0.841972 0.680376 O\n0.736604 0.462124 0.759998 O\n0.852536 0.848727 0.423393 O\n0.949755 0.601669 0.038125 O\n0.738313 0.170357 0.361002 O\n0.828943 0.256678 0.142208 O\n0.843968 0.841974 0.179544 O\n0.705523 0.547716 0.475882 O\n0.600285 0.950092 0.787653 O\n0.663252 0.987974 0.577262 O\n0.539736 0.262609 0.741053 O\n0.737391 0.460264 0.258947 O\n0.543240 0.704093 0.727036 O\n0.842021 0.844771 0.928806 O\n0.703836 0.543927 0.977249 O\n0.598978 0.950274 0.288201 O\n0.452284 0.294477 0.524118 O\n0.660425 0.987719 0.079454 O\n0.537876 0.263396 0.240002 O\n0.462107 0.738031 0.509265 O\n0.344522 0.010240 0.670113 O\n0.544333 0.703422 0.226507 O\n0.392915 0.052677 0.460531 O\n0.296578 0.455667 0.773493 O\n0.158026 0.156032 0.820456 O\n0.456073 0.296164 0.022751 O\n0.261969 0.537893 0.490735 O\n0.461661 0.737131 0.009003 O\n0.340298 0.012215 0.170274 O\n0.398331 0.050245 0.961875 O\n0.295907 0.456760 0.272964 O\n0.151273 0.147464 0.576607 O\n0.171726 0.742894 0.608628 O\n0.257106 0.828274 0.391372 O\n0.049726 0.401022 0.711799 O\n0.158028 0.156593 0.319624 O\n0.262869 0.538339 0.990997 O\n0.155229 0.157979 0.071194 O\n0.170951 0.741521 0.108520 O\n0.012026 0.336748 0.422738 O\n0.258479 0.829049 0.891480 O\n0.049908 0.399715 0.212347 O\n0.012281 0.339575 0.920546 O\n",
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],
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"density": 3.1462352331775656,
"density_atomic": 0.09251085090130025,
"volume": 864.7634220265894,
"volume_molar": 6.509658814429257,
"formula_full": "Li12 Mn2 V6 P12 O48",
"formula_reduced": "Li6MnV3(PO4)6",
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"updated_at": "2021-11-28T01:35:08.150000Z",
"spacegroup": 5
},
{
"id": "mp-555084",
"created_at": "2022-09-04T14:40:43.063923Z",
"structure_string": "Gd2 W2 Cl2 O8\n1.0\n3.724834 5.228005 0.000000\n-3.724834 5.228005 0.000000\n0.000000 2.114961 6.714934\nGd W Cl O\n2 2 2 8\ndirect\n0.221696 0.221696 0.882185 Gd\n0.778304 0.778304 0.117815 Gd\n0.362670 0.362670 0.267352 W\n0.637330 0.637330 0.732648 W\n0.988044 0.988044 0.769026 Cl\n0.011956 0.011956 0.230974 Cl\n0.543498 0.543498 0.199331 O\n0.456502 0.456502 0.800669 O\n0.111069 0.491408 0.154759 O\n0.888931 0.508592 0.845241 O\n0.491408 0.111069 0.154759 O\n0.508592 0.888931 0.845241 O\n0.706577 0.706577 0.466194 O\n0.293423 0.293423 0.533806 O\n",
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"elements": [
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],
"chemical_system": "Cl-Gd-O-W",
"density": 5.594359495933487,
"density_atomic": 0.053531988313307924,
"volume": 261.5258734284606,
"volume_molar": 11.24961158691524,
"formula_full": "Gd2 W2 Cl2 O8",
"formula_reduced": "GdWClO4",
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"spacegroup": 12
},
{
"id": "mp-1044636",
"created_at": "2022-09-04T14:40:56.226229Z",
"structure_string": "Y4 Cu13 Si2 Sb2 O28\n1.0\n5.331444 -0.198125 1.297277\n1.343828 8.949599 0.325481\n-0.240549 -0.101138 12.582634\nY Cu Si Sb O\n4 13 2 2 28\ndirect\n0.085698 0.652843 0.407588 Y\n0.509605 0.346804 0.407111 Y\n0.916756 0.346023 0.592257 Y\n0.492917 0.652872 0.592789 Y\n0.919857 0.637429 0.744101 Cu\n0.658630 0.324891 0.119179 Cu\n0.333857 0.362276 0.744173 Cu\n0.079966 0.363555 0.255269 Cu\n0.340169 0.674104 0.881408 Cu\n0.309148 0.000592 0.380073 Cu\n0.222313 0.674095 0.118953 Cu\n0.002072 0.999704 0.000139 Cu\n0.430541 0.999320 0.142176 Cu\n0.778189 0.323980 0.880591 Cu\n0.663134 0.638048 0.255304 Cu\n0.574233 0.997990 0.855592 Cu\n0.685958 0.002012 0.618772 Cu\n0.237837 0.290328 0.999595 Si\n0.763093 0.709683 0.999714 Si\n0.864882 0.999975 0.271185 Sb\n0.134642 0.999491 0.728292 Sb\n0.700039 0.417497 0.248610 O\n0.106810 0.388974 0.421442 O\n0.940597 0.341422 0.000231 O\n0.289834 0.107149 0.999161 O\n0.895923 0.611123 0.579575 O\n0.297133 0.583077 0.751577 O\n0.975271 0.102689 0.611601 O\n0.024860 0.896006 0.387347 O\n0.715723 0.892576 0.998703 O\n0.134216 0.896520 0.147787 O\n0.307499 0.356244 0.108262 O\n0.048913 0.584529 0.249141 O\n0.409787 0.896529 0.611559 O\n0.719334 0.103768 0.148066 O\n0.583702 0.645117 0.108425 O\n0.059169 0.656408 0.000326 O\n0.282760 0.895724 0.850522 O\n0.866003 0.104494 0.850096 O\n0.587744 0.103207 0.387747 O\n0.115141 0.146154 0.276762 O\n0.878005 0.853830 0.727749 O\n0.415174 0.357088 0.891345 O\n0.391881 0.146209 0.723530 O\n0.528336 0.389410 0.578613 O\n0.692383 0.642276 0.891649 O\n0.607007 0.855476 0.274397 O\n0.949716 0.417741 0.751843 O\n0.474585 0.611636 0.421475 O\n",
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"formula_full": "Y4 Cu13 Si2 Sb2 O28",
"formula_reduced": "Y4Cu13Si2(SbO14)2",
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]
}