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"results": [
{
"id": "mp-867837",
"created_at": "2022-09-04T14:42:54.594482Z",
"structure_string": "Be1 Cr1 Ru2\n1.0\n0.000000 2.888095 2.888095\n2.888095 0.000000 2.888095\n2.888095 2.888095 0.000000\nBe Cr Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
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"structure_string": "Y2 Ir1 Rh1\n1.0\n0.000000 3.440523 3.440523\n3.440523 0.000000 3.440523\n3.440523 3.440523 0.000000\nY Ir Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Y\n0.250000 0.250000 0.250000 Y\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "mp-1236322",
"created_at": "2022-09-04T14:43:52.596686Z",
"structure_string": "Li1 Pr1 Nd1 O2\n1.0\n1.783911 1.029942 8.849734\n-1.783911 1.029942 8.849734\n0.000000 -2.059882 8.849734\nLi Pr Nd O\n1 1 1 2\ndirect\n0.897562 0.897562 0.897562 Li\n0.454945 0.454945 0.454945 Pr\n0.008787 0.008787 0.008787 Nd\n0.297417 0.297417 0.297417 O\n0.726705 0.726705 0.726705 O\n",
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"elements": [
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"volume": 97.55895471486926,
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"formula_full": "Li1 Pr1 Nd1 O2",
"formula_reduced": "LiPrNdO2",
"formula_anonymous": "ABCD2",
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"updated_at": "2021-11-28T01:36:24.216000Z",
"spacegroup": 160
},
{
"id": "mp-1225393",
"created_at": "2022-09-04T14:46:23.938996Z",
"structure_string": "Eu2 Zn1 Bi2\n1.0\n-2.419207 -4.197367 0.000000\n-2.419207 4.197367 0.000000\n0.000000 0.000000 -8.206742\nEu Zn Bi\n2 1 2\ndirect\n0.999795 0.000205 0.524450 Eu\n0.999795 0.000205 0.975550 Eu\n0.666613 0.333387 0.250000 Zn\n0.666934 0.333066 0.750000 Bi\n0.333563 0.666437 0.250000 Bi\n",
"nsites": 5,
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"density": 7.8439963875805185,
"density_atomic": 0.029999861795159163,
"volume": 166.66743447487514,
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"formula_full": "Eu2 Zn1 Bi2",
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"spacegroup": 187
},
{
"id": "mp-1017531",
"created_at": "2022-09-04T14:40:29.633191Z",
"structure_string": "V2 Pt2\n1.0\n2.708746 0.000000 0.000000\n0.000000 4.406270 0.000000\n0.000000 0.000000 4.809712\nV Pt\n2 2\ndirect\n0.000000 0.250000 0.170633 V\n0.000000 0.750000 0.829367 V\n0.500000 0.250000 0.681526 Pt\n0.500000 0.750000 0.318474 Pt\n",
"nsites": 4,
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"density": 14.233141125508912,
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"volume": 57.40615518771383,
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"formula_full": "V2 Pt2",
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"energy_uncorrected": -32.51031696,
"band_gap": 0.0,
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"total_magnetization": 5.8e-05,
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"updated_at": "2021-11-28T01:34:53.383000Z",
"spacegroup": 51
},
{
"id": "mp-1226572",
"created_at": "2022-09-04T14:39:21.860841Z",
"structure_string": "Ce2 Ga2 Si2\n1.0\n4.102440 0.000000 0.000000\n0.000000 4.262915 0.000000\n2.051220 2.131457 7.192863\nCe Ga Si\n2 2 2\ndirect\n0.740947 0.240947 0.518105 Ce\n0.009053 0.009053 0.981895 Ce\n0.333763 0.833763 0.332473 Ga\n0.416237 0.416237 0.167527 Ga\n0.166346 0.666346 0.667308 Si\n0.583654 0.583654 0.832692 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Ga",
"Si"
],
"chemical_system": "Ce-Ga-Si",
"density": 6.281560670094224,
"density_atomic": 0.04769804189252478,
"volume": 125.79132731526906,
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"formula_full": "Ce2 Ga2 Si2",
"formula_reduced": "CeGaSi",
"formula_anonymous": "ABC",
"energy": -32.509721289999995,
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"updated_at": "2021-11-28T01:34:37.924000Z",
"spacegroup": 74
},
{
"id": "mp-9835",
"created_at": "2022-09-04T14:45:58.659621Z",
"structure_string": "Co2 Sb4\n1.0\n3.398553 0.000000 0.000000\n0.000000 5.625834 0.000000\n0.000000 0.000000 6.422020\nCo Sb\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.201054 0.356842 Sb\n0.000000 0.798946 0.643158 Sb\n0.500000 0.701054 0.143158 Sb\n0.500000 0.298946 0.856842 Sb\n",
"nsites": 6,
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"elements": [
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"density": 8.180590537294721,
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"volume": 122.78706380079362,
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"formula_full": "Co2 Sb4",
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"energy": -32.50946991,
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"updated_at": "2021-11-28T01:37:14.892000Z",
"spacegroup": 58
},
{
"id": "mp-1018054",
"created_at": "2022-09-04T14:40:00.530134Z",
"structure_string": "Hf1 Pt3\n1.0\n4.033489 0.000000 0.000000\n0.000000 4.033489 0.000000\n0.000000 0.000000 4.033489\nHf Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"density": 19.326496879712476,
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"volume": 65.62096771580492,
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"formula_full": "Hf1 Pt3",
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"band_gap": 0.0,
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"total_magnetization": 9.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.510000Z",
"spacegroup": 221
},
{
"id": "mp-754196",
"created_at": "2022-09-04T14:42:55.999397Z",
"structure_string": "Ba2 Sr1 I6\n1.0\n4.321618 -7.485262 0.000000\n4.321618 7.485262 0.000000\n0.000000 0.000000 7.355671\nBa Sr I\n2 1 6\ndirect\n0.333333 0.666667 0.500000 Ba\n0.666667 0.333333 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.671981 0.759065 I\n0.000000 0.328019 0.240935 I\n0.328019 0.328019 0.759065 I\n0.671981 0.671981 0.240935 I\n0.328019 0.000000 0.240935 I\n0.671981 0.000000 0.759065 I\n",
"nsites": 9,
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"density": 3.9209754358950777,
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"volume": 475.8890080510021,
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"formula_full": "Ba2 Sr1 I6",
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"spacegroup": 162
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{
"id": "mp-1110631",
"created_at": "2022-09-04T14:42:20.720150Z",
"structure_string": "Rb2 Na1 Ga1 Br6\n1.0\n0.000000 5.504145 5.504145\n5.504145 0.000000 5.504145\n5.504145 5.504145 0.000000\nRb Na Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.766112 0.233888 0.233888 Br\n0.233888 0.233888 0.766112 Br\n0.233888 0.766112 0.766112 Br\n0.233888 0.766112 0.233888 Br\n0.766112 0.233888 0.766112 Br\n0.766112 0.766112 0.233888 Br\n",
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"density": 3.6998201677333205,
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"volume": 333.50288461625576,
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"formula_full": "Rb2 Na1 Ga1 Br6",
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{
"id": "mp-11157",
"created_at": "2022-09-04T14:42:47.636147Z",
"structure_string": "Sm3 Mg3 Ga3\n1.0\n3.704771 -6.416852 0.000000\n3.704771 6.416852 0.000000\n0.000000 0.000000 4.501546\nSm Mg Ga\n3 3 3\ndirect\n0.000000 0.576263 0.000000 Sm\n0.423737 0.423737 0.000000 Sm\n0.576263 0.000000 0.000000 Sm\n0.000000 0.243311 0.500000 Mg\n0.756689 0.756689 0.500000 Mg\n0.243311 0.000000 0.500000 Mg\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
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"density": 5.688203826672557,
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"volume": 214.03021082261316,
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"formula_full": "Sm3 Mg3 Ga3",
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{
"id": "mp-1224837",
"created_at": "2022-09-04T14:43:47.018655Z",
"structure_string": "Ga2 Cu1 Ag1 Se4\n1.0\n-2.919732 2.919732 5.624299\n2.919732 -2.919732 5.624299\n2.919732 2.919732 -5.624299\nGa Cu Ag Se\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Ag\n0.646128 0.618869 0.501498 Se\n0.117371 0.144630 0.498502 Se\n0.855370 0.353872 0.972740 Se\n0.381131 0.882629 0.027260 Se\n",
"nsites": 8,
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"density": 5.4261845358589325,
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"volume": 191.7848827788351,
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"formula_full": "Ga2 Cu1 Ag1 Se4",
"formula_reduced": "Ga2CuAgSe4",
"formula_anonymous": "ABC2D4",
"energy": -32.50610454,
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"updated_at": "2021-11-28T01:36:22.051000Z",
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}
]
}