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{
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"results": [
{
"id": "mp-1184377",
"created_at": "2022-09-04T14:45:41.112910Z",
"structure_string": "Eu6 Bi2\n1.0\n3.695338 -6.400513 0.000000\n3.695338 6.400513 0.000000\n0.000000 0.000000 5.974675\nEu Bi\n6 2\ndirect\n0.173671 0.347342 0.250000 Eu\n0.652658 0.826329 0.250000 Eu\n0.173671 0.826329 0.250000 Eu\n0.826329 0.652658 0.750000 Eu\n0.347342 0.173671 0.750000 Eu\n0.826329 0.173671 0.750000 Eu\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
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{
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{
"id": "mp-1227398",
"created_at": "2022-09-04T14:41:53.064346Z",
"structure_string": "Bi2 Te4 Pb1\n1.0\n14.253214 -2.242682 0.000000\n14.253214 2.242682 0.000000\n13.900338 0.000000 3.868377\nBi Te Pb\n2 4 1\ndirect\n0.428731 0.428731 0.428731 Bi\n0.999696 0.999696 0.999696 Bi\n0.863566 0.863566 0.863566 Te\n0.135031 0.135031 0.135031 Te\n0.711757 0.711757 0.711757 Te\n0.291997 0.291997 0.291997 Te\n0.569221 0.569221 0.569221 Pb\n",
"nsites": 7,
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"Te",
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],
"chemical_system": "Bi-Pb-Te",
"density": 7.624655013666623,
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"volume": 247.3086411804436,
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"formula_full": "Bi2 Te4 Pb1",
"formula_reduced": "Bi2Te4Pb",
"formula_anonymous": "AB2C4",
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"spacegroup": 160
},
{
"id": "mp-1180573",
"created_at": "2022-09-04T14:42:43.663504Z",
"structure_string": "Nb24 H4 I44\n1.0\n11.596299 0.000000 0.000000\n0.000000 13.734781 0.000000\n0.000000 0.000000 15.971264\nNb H I\n24 4 44\ndirect\n0.911622 0.275736 0.606901 Nb\n0.411622 0.724264 0.393099 Nb\n0.411622 0.224264 0.106901 Nb\n0.911622 0.775736 0.893099 Nb\n0.116105 0.226510 0.400975 Nb\n0.616105 0.773490 0.599025 Nb\n0.616105 0.273490 0.900975 Nb\n0.116105 0.726510 0.099025 Nb\n0.873410 0.174215 0.451152 Nb\n0.373410 0.825785 0.548848 Nb\n0.373410 0.325785 0.951152 Nb\n0.873410 0.674215 0.048848 Nb\n0.140743 0.334989 0.548423 Nb\n0.640743 0.665011 0.451577 Nb\n0.640743 0.165011 0.048423 Nb\n0.140743 0.834989 0.951577 Nb\n0.078365 0.127816 0.551203 Nb\n0.578365 0.872184 0.448797 Nb\n0.578365 0.372184 0.051203 Nb\n0.078365 0.627816 0.948797 Nb\n0.932439 0.369304 0.448687 Nb\n0.432439 0.630696 0.551313 Nb\n0.432439 0.130696 0.948687 Nb\n0.932439 0.869304 0.051313 Nb\n0.009666 0.252636 0.501693 H\n0.509666 0.747364 0.498307 H\n0.509666 0.247364 0.001693 H\n0.009666 0.752636 0.998307 H\n0.850908 0.073400 0.611644 I\n0.350908 0.926600 0.388356 I\n0.350908 0.426600 0.111644 I\n0.850908 0.573400 0.888356 I\n0.156324 0.432501 0.388323 I\n0.656324 0.567499 0.611677 I\n0.656324 0.067499 0.888323 I\n0.156324 0.932501 0.111677 I\n0.977182 0.478857 0.601883 I\n0.477182 0.521143 0.398117 I\n0.477182 0.021143 0.101883 I\n0.977182 0.978857 0.898117 I\n0.032668 0.027392 0.394728 I\n0.532668 0.972608 0.605272 I\n0.532668 0.472608 0.894728 I\n0.032668 0.527392 0.105272 I\n0.109574 0.231948 0.708157 I\n0.609574 0.768052 0.291843 I\n0.609574 0.268052 0.208157 I\n0.109574 0.731948 0.791843 I\n0.925188 0.264722 0.290707 I\n0.425188 0.735278 0.709293 I\n0.425188 0.235278 0.790707 I\n0.925188 0.764722 0.209293 I\n0.709020 0.313445 0.511145 I\n0.209020 0.686555 0.488855 I\n0.209020 0.186555 0.011145 I\n0.709020 0.813445 0.988855 I\n0.307800 0.188665 0.511148 I\n0.807800 0.811335 0.488852 I\n0.807800 0.311335 0.011148 I\n0.307800 0.688665 0.988852 I\n0.172140 0.941117 0.618630 I\n0.672140 0.058883 0.381370 I\n0.672140 0.558883 0.118630 I\n0.172140 0.441117 0.881370 I\n0.826107 0.544189 0.373663 I\n0.326107 0.455811 0.626337 I\n0.326107 0.955811 0.873663 I\n0.826107 0.044189 0.126337 I\n0.784336 0.319267 0.765029 I\n0.284336 0.680733 0.234971 I\n0.284336 0.180733 0.265029 I\n0.784336 0.819267 0.734971 I\n",
"nsites": 72,
"nelements": 3,
"elements": [
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"H",
"I"
],
"chemical_system": "H-I-Nb",
"density": 5.103182338728104,
"density_atomic": 0.02830427689511516,
"volume": 2543.7851765937885,
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"formula_full": "Nb24 H4 I44",
"formula_reduced": "Nb6HI11",
"formula_anonymous": "AB6C11",
"energy": -374.86750711,
"energy_per_atom": -5.206493154305556,
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"updated_at": "2021-11-28T01:35:55.773000Z",
"spacegroup": 33
},
{
"id": "mp-1436789",
"created_at": "2022-09-04T14:43:42.479962Z",
"structure_string": "W2 Br10\n1.0\n6.894131 0.000000 0.000000\n-3.284475 6.675390 0.000000\n-0.147580 -3.845963 9.212640\nW Br\n2 10\ndirect\n0.898270 0.502970 0.785666 W\n0.101730 0.497030 0.214334 W\n0.231276 0.719302 0.958430 Br\n0.768724 0.280698 0.041570 Br\n0.573098 0.270903 0.666225 Br\n0.426902 0.729097 0.333775 Br\n0.063299 0.738609 0.574441 Br\n0.936701 0.261391 0.425559 Br\n0.113433 0.281123 0.850668 Br\n0.886567 0.718877 0.149332 Br\n0.705520 0.729251 0.757751 Br\n0.294480 0.270749 0.242249 Br\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Br-W",
"density": 4.56957136359814,
"density_atomic": 0.028303553867899386,
"volume": 423.97502645806816,
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"formula_full": "W2 Br10",
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"spacegroup": 2
},
{
"id": "mp-1095321",
"created_at": "2022-09-04T14:46:01.903933Z",
"structure_string": "W2 Br10\n1.0\n6.893521 0.008526 -0.091332\n-3.324621 6.196114 -2.429750\n-0.015132 -0.158594 9.983014\nW Br\n2 10\ndirect\n0.898270 0.288636 0.785666 W\n0.101730 0.711364 0.214334 W\n0.231276 0.677732 0.958430 Br\n0.768724 0.322268 0.041570 Br\n0.573098 0.937128 0.666225 Br\n0.426902 0.062872 0.333775 Br\n0.063299 0.313050 0.574441 Br\n0.936701 0.686950 0.425559 Br\n0.113433 0.131790 0.850668 Br\n0.886567 0.868210 0.149332 Br\n0.705520 0.487002 0.757751 Br\n0.294480 0.512998 0.242249 Br\n",
"nsites": 12,
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{
"id": "mp-972912",
"created_at": "2022-09-04T14:43:59.824761Z",
"structure_string": "La3 Er1\n1.0\n-2.599959 2.599959 5.226899\n2.599959 -2.599959 5.226899\n2.599959 2.599959 -5.226899\nLa Er\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Er\n",
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"spacegroup": 139
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{
"id": "mp-1208286",
"created_at": "2022-09-04T14:40:54.665945Z",
"structure_string": "Th4 Br8\n1.0\n-3.792978 3.792978 7.367803\n3.792978 -3.792978 7.367803\n3.792978 3.792978 -7.367803\nTh Br\n4 8\ndirect\n0.375000 0.125000 0.250000 Th\n0.875000 0.125000 0.750000 Th\n0.875000 0.125000 0.250000 Th\n0.875000 0.625000 0.750000 Th\n0.447135 0.498672 0.374865 Br\n0.123808 0.072270 0.625135 Br\n0.248672 0.373808 0.551538 Br\n0.302865 0.751328 0.125135 Br\n0.822270 0.697135 0.448462 Br\n0.626192 0.177730 0.874865 Br\n0.501328 0.876192 0.948462 Br\n0.927730 0.552865 0.051538 Br\n",
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{
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"created_at": "2022-09-04T14:48:03.159191Z",
"structure_string": "Sr28 Pt12\n1.0\n7.191869 0.000000 0.000000\n0.000000 8.007462 0.000000\n0.000000 0.000000 24.542578\nSr Pt\n28 12\ndirect\n0.654371 0.457200 0.382286 Sr\n0.154371 0.042800 0.617714 Sr\n0.845629 0.957200 0.117714 Sr\n0.345629 0.542800 0.882286 Sr\n0.345629 0.542800 0.617714 Sr\n0.845629 0.957200 0.382286 Sr\n0.154371 0.042800 0.882286 Sr\n0.654371 0.457200 0.117714 Sr\n0.176952 0.331987 0.477436 Sr\n0.676952 0.168013 0.522564 Sr\n0.323048 0.831987 0.022564 Sr\n0.823048 0.668013 0.977436 Sr\n0.647623 0.176678 0.250000 Sr\n0.147623 0.323322 0.750000 Sr\n0.852377 0.676678 0.250000 Sr\n0.352377 0.823322 0.750000 Sr\n0.184308 0.320317 0.174317 Sr\n0.684308 0.179683 0.825683 Sr\n0.315692 0.820317 0.325683 Sr\n0.815692 0.679683 0.674317 Sr\n0.815692 0.679683 0.825683 Sr\n0.315692 0.820317 0.174317 Sr\n0.684308 0.179683 0.674317 Sr\n0.184308 0.320317 0.325683 Sr\n0.176952 0.331987 0.022564 Sr\n0.676952 0.168013 0.977436 Sr\n0.323048 0.831987 0.477436 Sr\n0.823048 0.668013 0.522564 Sr\n0.462993 0.121559 0.405164 Pt\n0.962993 0.378441 0.594836 Pt\n0.037007 0.621559 0.094836 Pt\n0.537007 0.878441 0.905164 Pt\n0.537007 0.878441 0.594836 Pt\n0.037007 0.621559 0.405164 Pt\n0.962993 0.378441 0.905164 Pt\n0.462993 0.121559 0.094836 Pt\n0.965193 0.978350 0.750000 Pt\n0.465193 0.521650 0.250000 Pt\n0.534807 0.478350 0.750000 Pt\n0.034807 0.021650 0.250000 Pt\n",
"nsites": 40,
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{
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"structure_string": "Nd6 Y2\n1.0\n3.689800 -6.390921 0.000000\n3.689800 6.390921 0.000000\n0.000000 0.000000 5.993695\nNd Y\n6 2\ndirect\n0.167302 0.334603 0.250000 Nd\n0.665397 0.832698 0.250000 Nd\n0.167302 0.832698 0.250000 Nd\n0.832698 0.665397 0.750000 Nd\n0.334603 0.167302 0.750000 Nd\n0.832698 0.167302 0.750000 Nd\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n",
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{
"id": "mp-7025",
"created_at": "2022-09-04T14:48:27.742852Z",
"structure_string": "Rb2 Te2 Au2\n1.0\n2.391878 -4.142854 0.000000\n2.391878 4.142854 0.000000\n0.000000 0.000000 10.697668\nRb Te Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.333333 0.666667 0.750000 Te\n0.666667 0.333333 0.250000 Te\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.8451382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004119,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:22.365000Z",
"spacegroup": 194
},
{
"id": "mp-23312",
"created_at": "2022-09-04T14:40:19.318223Z",
"structure_string": "Mo4 Br12\n1.0\n6.119478 0.000000 0.000000\n0.000000 7.286045 0.000000\n0.000000 0.000000 12.680266\nMo Br\n4 12\ndirect\n0.728807 0.253027 0.500000 Mo\n0.228807 0.746973 0.000000 Mo\n0.271193 0.253027 0.500000 Mo\n0.771193 0.746973 0.000000 Mo\n0.500000 0.105645 0.647505 Br\n0.000000 0.894355 0.852495 Br\n0.500000 0.105645 0.352495 Br\n0.000000 0.894355 0.147505 Br\n0.000000 0.451010 0.000000 Br\n0.500000 0.548990 0.500000 Br\n0.500000 0.027494 0.000000 Br\n0.000000 0.972506 0.500000 Br\n0.000000 0.392660 0.360472 Br\n0.500000 0.607340 0.139528 Br\n0.000000 0.392660 0.639528 Br\n0.500000 0.607340 0.860472 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"Br"
],
"chemical_system": "Br-Mo",
"density": 3.943335577283174,
"density_atomic": 0.02829993197540512,
"volume": 565.3723837182812,
"volume_molar": 21.279700478551383,
"formula_full": "Mo4 Br12",
"formula_reduced": "MoBr3",
"formula_anonymous": "AB3",
"energy": -78.67840458,
"energy_per_atom": -4.91740028625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.27040458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9997544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.160000Z",
"spacegroup": 59
}
]
}