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{
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"results": [
{
"id": "mp-975726",
"created_at": "2022-09-04T14:41:04.170841Z",
"structure_string": "Pr2 Al8 Co2\n1.0\n4.033113 0.000000 0.000000\n0.000000 6.905135 0.000000\n0.000000 0.000000 7.674736\nPr Al Co\n2 8 2\ndirect\n0.000000 0.884029 0.250000 Pr\n0.000000 0.115971 0.750000 Pr\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.541758 0.250000 Al\n0.500000 0.798810 0.570782 Al\n0.500000 0.798810 0.929218 Al\n0.500000 0.201190 0.070782 Al\n0.500000 0.201190 0.429218 Al\n0.500000 0.458242 0.750000 Al\n0.000000 0.683106 0.750000 Co\n0.000000 0.316894 0.250000 Co\n",
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{
"id": "mp-1261047",
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"structure_string": "Al4 Sb4 O12\n1.0\n5.503217 0.000635 0.001219\n-0.007681 5.118097 -0.004217\n0.014094 0.001430 11.530302\nAl Sb O\n4 4 12\ndirect\n0.902025 0.002493 0.737642 Al\n0.428248 0.498695 0.262747 Al\n0.571792 0.501664 0.761515 Al\n0.098194 0.997435 0.238967 Al\n0.056981 0.510017 0.565514 Sb\n0.581315 0.991666 0.435180 Sb\n0.418006 0.009055 0.933750 Sb\n0.944569 0.489567 0.066933 Sb\n0.473563 0.348801 0.398825 O\n0.943990 0.152755 0.600581 O\n0.057641 0.846782 0.101841 O\n0.526016 0.651798 0.897648 O\n0.338105 0.522941 0.662856 O\n0.863571 0.974692 0.337231 O\n0.135071 0.024376 0.836533 O\n0.661627 0.476939 0.163531 O\n0.166114 0.333698 0.201635 O\n0.640304 0.166155 0.797751 O\n0.359181 0.834045 0.299319 O\n0.833688 0.666429 0.700003 O\n",
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"updated_at": "2021-11-28T01:35:14.831000Z",
"spacegroup": 4
},
{
"id": "mp-23165",
"created_at": "2022-09-04T14:41:04.138529Z",
"structure_string": "Pt12 Br36\n1.0\n7.376192 -11.601211 0.000000\n7.376192 11.601211 0.000000\n-10.870091 0.000000 8.416497\nPt Br\n12 36\ndirect\n0.771115 0.198700 0.524389 Pt\n0.198700 0.524389 0.771115 Pt\n0.524389 0.771115 0.198700 Pt\n0.228885 0.801300 0.475611 Pt\n0.801300 0.475611 0.228885 Pt\n0.475611 0.228885 0.801300 Pt\n0.242976 0.064961 0.164525 Pt\n0.064961 0.164525 0.242976 Pt\n0.164525 0.242976 0.064961 Pt\n0.757024 0.935039 0.835475 Pt\n0.935039 0.835475 0.757024 Pt\n0.835475 0.757024 0.935039 Pt\n0.237288 0.167097 0.652958 Br\n0.167097 0.652958 0.237288 Br\n0.652958 0.237288 0.167097 Br\n0.762712 0.832903 0.347042 Br\n0.832903 0.347042 0.762712 Br\n0.347042 0.762712 0.832903 Br\n0.445605 0.603503 0.949851 Br\n0.603503 0.949851 0.445605 Br\n0.949851 0.445605 0.603503 Br\n0.554395 0.396497 0.050149 Br\n0.396497 0.050149 0.554395 Br\n0.050149 0.554395 0.396497 Br\n0.300330 0.223599 0.397674 Br\n0.397674 0.300330 0.223599 Br\n0.223599 0.397674 0.300330 Br\n0.699670 0.776401 0.602326 Br\n0.602326 0.699670 0.776401 Br\n0.776401 0.602326 0.699670 Br\n0.825687 0.096806 0.076406 Br\n0.076406 0.825687 0.096806 Br\n0.096806 0.076406 0.825687 Br\n0.174313 0.903194 0.923594 Br\n0.923594 0.174313 0.903194 Br\n0.903194 0.923594 0.174313 Br\n0.689631 0.026562 0.271305 Br\n0.271305 0.689631 0.026562 Br\n0.026562 0.271305 0.689631 Br\n0.310369 0.973438 0.728695 Br\n0.728695 0.310369 0.973438 Br\n0.973438 0.728695 0.310369 Br\n0.626911 0.463490 0.851338 Br\n0.851338 0.626911 0.463490 Br\n0.463490 0.851338 0.626911 Br\n0.373089 0.536510 0.148662 Br\n0.148662 0.373089 0.536510 Br\n0.536510 0.148662 0.373089 Br\n",
"nsites": 48,
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"elements": [
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"formula_full": "Pt12 Br36",
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"energy": -163.35591981,
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"updated_at": "2021-11-28T01:35:00.344000Z",
"spacegroup": 148
},
{
"id": "mp-1220193",
"created_at": "2022-09-04T14:41:04.139532Z",
"structure_string": "Nd4 Ga4 Sb8\n1.0\n-2.191938 2.191938 22.659334\n2.191938 -2.191938 22.659334\n2.191938 2.191938 -22.659334\nNd Ga Sb\n4 4 8\ndirect\n0.555788 0.055788 0.500000 Nd\n0.805788 0.805788 0.000000 Nd\n0.194212 0.194212 0.000000 Nd\n0.944212 0.444212 0.500000 Nd\n0.875000 0.287936 0.912936 Ga\n0.712064 0.625000 0.587064 Ga\n0.375000 0.962064 0.087064 Ga\n0.037936 0.125000 0.412936 Ga\n0.420808 0.920808 0.500000 Sb\n0.670808 0.670808 0.000000 Sb\n0.329192 0.329192 0.000000 Sb\n0.079192 0.579192 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ga-Nd-Sb",
"density": 6.9778605174338395,
"density_atomic": 0.03674145229168589,
"volume": 435.47543719769044,
"volume_molar": 16.390589877043947,
"formula_full": "Nd4 Ga4 Sb8",
"formula_reduced": "NdGaSb2",
"formula_anonymous": "ABC2",
"energy": -76.22309506,
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"updated_at": "2021-11-28T01:35:11.698000Z",
"spacegroup": 122
},
{
"id": "mp-1185153",
"created_at": "2022-09-04T14:41:04.142734Z",
"structure_string": "K1 Pt1\n1.0\n3.000767 0.000059 0.000000\n-1.500333 2.598955 0.000000\n0.000001 0.000000 5.345578\nK Pt\n1 1\ndirect\n0.666673 0.333311 0.749999 K\n0.333327 0.666687 0.250001 Pt\n",
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"density": 9.32765617321921,
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"volume": 41.68987906873422,
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"formula_full": "K1 Pt1",
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"spacegroup": 187
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{
"id": "mp-24747",
"created_at": "2022-09-04T14:41:04.148098Z",
"structure_string": "Na12 H24 Rh4\n1.0\n5.239099 0.000000 0.000000\n0.000000 9.378731 0.000000\n0.000000 0.000000 9.602926\nNa H Rh\n12 24 4\ndirect\n0.250000 0.720790 0.750263 Na\n0.750000 0.279210 0.249737 Na\n0.250000 0.220790 0.749737 Na\n0.750000 0.779210 0.250263 Na\n0.250000 0.898108 0.033207 Na\n0.750000 0.101892 0.966793 Na\n0.250000 0.398108 0.466793 Na\n0.750000 0.601892 0.533207 Na\n0.250000 0.544566 0.127696 Na\n0.750000 0.455434 0.872304 Na\n0.250000 0.044566 0.372304 Na\n0.750000 0.955434 0.627696 Na\n0.250000 0.813217 0.251300 H\n0.750000 0.186783 0.748700 H\n0.250000 0.313217 0.248700 H\n0.750000 0.686783 0.751300 H\n0.250000 0.625999 0.545804 H\n0.750000 0.374001 0.454196 H\n0.250000 0.125999 0.954196 H\n0.750000 0.874001 0.045804 H\n0.530561 0.389668 0.662577 H\n0.030561 0.610332 0.337423 H\n0.969439 0.889668 0.837423 H\n0.469439 0.110332 0.162577 H\n0.469439 0.610332 0.337423 H\n0.969439 0.389668 0.662577 H\n0.030561 0.110332 0.162577 H\n0.530561 0.889668 0.837423 H\n0.521484 0.669854 0.965001 H\n0.021484 0.330146 0.034999 H\n0.978516 0.169854 0.534999 H\n0.478516 0.830146 0.465001 H\n0.478516 0.330146 0.034999 H\n0.978516 0.669854 0.965001 H\n0.021484 0.830146 0.465001 H\n0.521484 0.169854 0.534999 H\n0.250000 0.722239 0.400546 Rh\n0.750000 0.277761 0.599454 Rh\n0.250000 0.222239 0.099454 Rh\n0.750000 0.777761 0.900546 Rh\n",
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"formula_full": "Na12 H24 Rh4",
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{
"id": "mp-556978",
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"structure_string": "Na8 S4\n1.0\n4.344410 0.000000 0.000000\n0.000000 7.144299 0.000000\n0.000000 0.000000 8.392375\nNa S\n8 4\ndirect\n0.250000 0.148627 0.427247 Na\n0.750000 0.477876 0.328921 Na\n0.750000 0.977876 0.171079 Na\n0.750000 0.351373 0.927247 Na\n0.250000 0.522124 0.671079 Na\n0.750000 0.851373 0.572753 Na\n0.250000 0.648627 0.072753 Na\n0.250000 0.022124 0.828921 Na\n0.250000 0.754017 0.388162 S\n0.250000 0.254017 0.111838 S\n0.750000 0.745983 0.888162 S\n0.750000 0.245983 0.611838 S\n",
"nsites": 12,
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"formula_full": "Na8 S4",
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{
"id": "mp-1079543",
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"structure_string": "Pb4 S4\n1.0\n5.573599 -5.689818 0.000000\n5.573599 5.689818 0.000000\n0.000000 0.000000 4.069928\nPb S\n4 4\ndirect\n0.663112 0.339149 0.000000 Pb\n0.339149 0.663112 0.000000 Pb\n0.137387 0.137387 0.500000 Pb\n0.823731 0.823731 0.000000 Pb\n0.774822 0.117852 0.500000 S\n0.117852 0.774822 0.500000 S\n0.310896 0.310896 0.000000 S\n0.637251 0.637251 0.500000 S\n",
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"formula_full": "Pb4 S4",
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{
"id": "mp-555305",
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"structure_string": "Na4 Nb4 O8 F8\n1.0\n5.496766 0.000000 0.000000\n0.000000 7.753087 0.000000\n0.000000 1.748098 8.014983\nNa Nb O F\n4 4 8 8\ndirect\n0.777493 0.119325 0.633137 Na\n0.222507 0.880675 0.366863 Na\n0.722507 0.619325 0.633137 Na\n0.277493 0.380675 0.366863 Na\n0.733895 0.680023 0.155037 Nb\n0.233895 0.819977 0.844963 Nb\n0.266105 0.319977 0.844963 Nb\n0.766105 0.180023 0.155037 Nb\n0.444482 0.789678 0.036066 O\n0.944482 0.710322 0.963934 O\n0.846234 0.945696 0.177523 O\n0.653766 0.445696 0.177523 O\n0.555518 0.210322 0.963934 O\n0.055518 0.289678 0.036066 O\n0.153766 0.054304 0.822477 O\n0.346234 0.554304 0.822477 O\n0.452298 0.312085 0.626221 F\n0.520964 0.877654 0.683418 F\n0.952298 0.187915 0.373779 F\n0.479036 0.122346 0.316582 F\n0.020964 0.622346 0.316582 F\n0.979036 0.377654 0.683418 F\n0.547702 0.687915 0.373779 F\n0.047702 0.812085 0.626221 F\n",
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"formula_full": "Na4 Nb4 O8 F8",
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{
"id": "mp-10333",
"created_at": "2022-09-04T14:41:04.166730Z",
"structure_string": "Pr2 Zn6 P6\n1.0\n2.031265 -3.518255 0.000000\n2.031265 3.518255 0.000000\n0.000000 0.000000 20.175182\nPr Zn P\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.666667 0.333333 0.629863 Zn\n0.333333 0.666667 0.129863 Zn\n0.333333 0.666667 0.370137 Zn\n0.666667 0.333333 0.870137 Zn\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.250000 P\n0.666667 0.333333 0.088310 P\n0.333333 0.666667 0.588310 P\n0.333333 0.666667 0.911690 P\n0.666667 0.333333 0.411690 P\n",
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{
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},
{
"id": "mp-1195797",
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"updated_at": "2021-11-28T01:35:12.279000Z",
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}
]
}