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{
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"results": [
{
"id": "mp-1026826",
"created_at": "2022-09-04T14:43:08.176127Z",
"structure_string": "K1 Mg14 Ga1\n1.0\n6.458028 0.000000 0.000000\n-3.229014 5.592816 0.000000\n0.000000 0.000000 10.676434\nK Mg Ga\n1 14 1\ndirect\n0.166667 0.333333 0.125000 K\n0.172423 0.836211 0.125000 Mg\n0.164384 0.832192 0.625000 Mg\n0.663789 0.327577 0.125000 Mg\n0.667808 0.335616 0.625000 Mg\n0.663789 0.836211 0.125000 Mg\n0.667808 0.832192 0.625000 Mg\n0.335061 0.164939 0.387843 Mg\n0.335061 0.164939 0.862157 Mg\n0.335061 0.670123 0.387843 Mg\n0.335061 0.670123 0.862157 Mg\n0.829877 0.164939 0.387843 Mg\n0.829877 0.164939 0.862157 Mg\n0.833333 0.666667 0.369617 Mg\n0.833333 0.666667 0.880383 Mg\n0.166667 0.333333 0.625000 Ga\n",
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"spacegroup": 187
},
{
"id": "mp-1093948",
"created_at": "2022-09-04T14:46:16.483274Z",
"structure_string": "Sr1 La1 Ag2\n1.0\n-5.906696 6.244857 8.825899\n5.906696 -6.244857 8.825899\n5.906696 6.244857 -8.825899\nSr La Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 La\n0.000000 0.256933 0.256933 Ag\n0.000000 0.743067 0.743067 Ag\n",
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"formula_full": "Sr1 La1 Ag2",
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"updated_at": "2021-11-28T01:37:29.200000Z",
"spacegroup": 71
},
{
"id": "mp-1026840",
"created_at": "2022-09-04T14:39:31.769195Z",
"structure_string": "Ba1 Li1 Mg14\n1.0\n6.643183 0.088315 0.000000\n-3.245108 5.620691 0.000000\n0.000000 0.000000 10.644677\nBa Li Mg\n1 1 14\ndirect\n0.160949 0.830474 0.125000 Ba\n0.172332 0.336166 0.125000 Li\n0.162133 0.331066 0.625000 Mg\n0.164756 0.832377 0.625000 Mg\n0.659132 0.336180 0.125000 Mg\n0.667565 0.331655 0.625000 Mg\n0.659132 0.822951 0.125000 Mg\n0.667565 0.835909 0.625000 Mg\n0.340552 0.177085 0.390069 Mg\n0.340552 0.177085 0.859931 Mg\n0.340552 0.663469 0.390069 Mg\n0.340552 0.663469 0.859931 Mg\n0.837080 0.168541 0.370753 Mg\n0.837080 0.168541 0.879247 Mg\n0.825034 0.662518 0.389438 Mg\n0.825034 0.662518 0.860562 Mg\n",
"nsites": 16,
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"elements": [
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"Mg"
],
"chemical_system": "Ba-Li-Mg",
"density": 2.008898036512729,
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"volume": 400.5152395135673,
"volume_molar": 15.074744680473852,
"formula_full": "Ba1 Li1 Mg14",
"formula_reduced": "BaLiMg14",
"formula_anonymous": "ABC14",
"energy": -25.18868092,
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"updated_at": "2021-11-28T01:34:24.118000Z",
"spacegroup": 38
},
{
"id": "mp-110",
"created_at": "2022-09-04T14:40:57.406985Z",
"structure_string": "Mg1\n1.0\n-1.789645 1.789645 1.789645\n1.789645 -1.789645 1.789645\n1.789645 1.789645 -1.789645\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
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"formula_full": "Mg1",
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"updated_at": "2021-11-28T01:35:02.815000Z",
"spacegroup": 229
},
{
"id": "mp-1028112",
"created_at": "2022-09-04T14:40:16.997023Z",
"structure_string": "Ba1 Ca1 Mg14\n1.0\n6.730035 0.032672 0.000000\n-3.336722 5.779372 0.000000\n0.000000 0.000000 10.748773\nBa Ca Mg\n1 1 14\ndirect\n0.165215 0.832607 0.125000 Ba\n0.175157 0.337578 0.125000 Ca\n0.163604 0.331801 0.625000 Mg\n0.164866 0.832432 0.625000 Mg\n0.663009 0.333476 0.125000 Mg\n0.668271 0.333091 0.625000 Mg\n0.663009 0.829532 0.125000 Mg\n0.668271 0.835180 0.625000 Mg\n0.342839 0.176581 0.393093 Mg\n0.342839 0.176581 0.856907 Mg\n0.342839 0.666259 0.393093 Mg\n0.342839 0.666259 0.856907 Mg\n0.828494 0.164248 0.377399 Mg\n0.828494 0.164248 0.872601 Mg\n0.820127 0.660064 0.386823 Mg\n0.820127 0.660064 0.863177 Mg\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ba-Ca-Mg",
"density": 2.0503777118017266,
"density_atomic": 0.03816344446505256,
"volume": 419.2493687159631,
"volume_molar": 15.779866949679189,
"formula_full": "Ba1 Ca1 Mg14",
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"updated_at": "2021-11-28T01:35:01.195000Z",
"spacegroup": 38
},
{
"id": "mp-727147",
"created_at": "2022-09-04T14:47:09.070565Z",
"structure_string": "Li4 Co4 P8 O28\n1.0\n6.236040 0.000000 0.000000\n-2.592876 -8.671541 0.000000\n0.827459 4.366440 -9.340465\nLi Co P O\n4 4 8 28\ndirect\n0.535150 0.534337 0.981705 Li\n0.358000 0.160762 0.382165 Li\n0.025042 0.196608 0.488502 Li\n0.934566 0.789453 0.527349 Li\n0.709627 0.655008 0.222300 Co\n0.626819 0.988664 0.246100 Co\n0.292826 0.348803 0.773706 Co\n0.373015 0.017437 0.746459 Co\n0.299376 0.735953 0.035912 P\n0.415736 0.624899 0.533423 P\n0.704105 0.268736 0.956504 P\n0.892842 0.156804 0.702271 P\n0.103862 0.609496 0.788157 P\n0.906333 0.391321 0.207418 P\n0.107048 0.845058 0.292403 P\n0.578893 0.382366 0.459708 P\n0.635726 0.279492 0.426780 O\n0.316515 0.714090 0.811247 O\n0.622975 0.767755 0.447318 O\n0.560627 0.680894 0.304196 O\n0.313715 0.041751 0.205462 O\n0.055014 0.033726 0.718526 O\n0.437574 0.327368 0.688257 O\n0.154692 0.376557 0.846959 O\n0.944594 0.974984 0.270782 O\n0.028835 0.181543 0.354374 O\n0.372485 0.238811 0.545632 O\n0.996518 0.322585 0.708129 O\n0.934375 0.464611 0.903760 O\n0.065868 0.545658 0.085354 O\n0.352903 0.735985 0.559444 O\n0.688853 0.287313 0.186437 O\n0.206919 0.617636 0.458153 O\n0.607549 0.239210 0.046436 O\n0.000334 0.671404 0.291313 O\n0.751938 0.012622 0.037675 O\n0.429235 0.563163 0.181478 O\n0.999341 0.819554 0.637548 O\n0.686625 0.957289 0.789937 O\n0.572496 0.431089 0.814032 O\n0.789681 0.382333 0.536561 O\n0.856154 0.612639 0.158195 O\n0.256903 0.988271 0.959410 O\n0.398685 0.769330 0.945658 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.153670553660357,
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"volume": 505.0957002371476,
"volume_molar": 6.913085009315609,
"formula_full": "Li4 Co4 P8 O28",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -69.28244989000001,
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"updated_at": "2021-11-28T01:37:58.524000Z",
"spacegroup": 1
},
{
"id": "mp-1023616",
"created_at": "2022-09-04T14:42:21.048793Z",
"structure_string": "Mg15 Zn1\n1.0\n3.179829 -5.507625 0.000000\n3.179829 5.507625 0.000000\n0.000000 0.000000 10.210452\nMg Zn\n15 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.499394 0.998789 0.000000 Mg\n0.500267 0.000535 0.500000 Mg\n0.499394 0.500606 0.000000 Mg\n0.500267 0.499733 0.500000 Mg\n0.001211 0.500606 0.000000 Mg\n0.999465 0.499733 0.500000 Mg\n0.330772 0.165386 0.247228 Mg\n0.330772 0.165386 0.752772 Mg\n0.834614 0.165386 0.247228 Mg\n0.834614 0.165386 0.752772 Mg\n0.834614 0.669228 0.247228 Mg\n0.834614 0.669228 0.752772 Mg\n0.333333 0.666667 0.250108 Mg\n0.333333 0.666667 0.749892 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 1.9964493696786014,
"density_atomic": 0.04473803352151772,
"volume": 357.6375343432218,
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"formula_full": "Mg15 Zn1",
"formula_reduced": "Mg15Zn",
"formula_anonymous": "AB15",
"energy": -25.19438761,
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"updated_at": "2021-11-28T01:35:51.178000Z",
"spacegroup": 187
},
{
"id": "mp-1021355",
"created_at": "2022-09-04T14:40:18.471431Z",
"structure_string": "K2 Mg12 Ga2\n1.0\n5.207256 0.000000 0.000000\n0.000000 6.710185 0.000000\n0.000000 0.000000 11.589886\nK Mg Ga\n2 12 2\ndirect\n0.000000 0.000000 0.833923 K\n0.000000 0.500000 0.333923 K\n0.000000 0.245083 0.582357 Mg\n0.000000 0.754917 0.582357 Mg\n0.500000 0.228779 0.415976 Mg\n0.500000 0.771221 0.415976 Mg\n0.500000 0.000000 0.653923 Mg\n0.500000 0.000000 0.167904 Mg\n0.000000 0.745083 0.082357 Mg\n0.000000 0.254917 0.082357 Mg\n0.500000 0.728779 0.915976 Mg\n0.500000 0.271221 0.915976 Mg\n0.500000 0.500000 0.153923 Mg\n0.500000 0.500000 0.667904 Mg\n0.000000 0.000000 0.347590 Ga\n0.000000 0.500000 0.847590 Ga\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ga-K-Mg",
"density": 2.0883457539878276,
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"volume": 404.9697529281267,
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"formula_full": "K2 Mg12 Ga2",
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"updated_at": "2021-11-28T01:34:50.888000Z",
"spacegroup": 38
},
{
"id": "mp-1096646",
"created_at": "2022-09-04T14:40:37.945569Z",
"structure_string": "Li2 Y1 Ga1\n1.0\n-5.803646 5.999582 8.494345\n5.803646 -5.999582 8.494345\n5.803646 5.999582 -8.494345\nLi Y Ga\n2 1 1\ndirect\n0.000000 0.233642 0.233642 Li\n0.000000 0.766358 0.766358 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"density": 0.24213285197409606,
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"volume": 1183.0736866223292,
"volume_molar": 178.11590675729488,
"formula_full": "Li2 Y1 Ga1",
"formula_reduced": "Li2YGa",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:56.890000Z",
"spacegroup": 71
},
{
"id": "mp-1028333",
"created_at": "2022-09-04T14:44:19.022553Z",
"structure_string": "Cs1 Mg14 Sn1\n1.0\n6.629149 -0.067717 0.000000\n-3.373219 5.842586 0.000000\n0.000000 0.000000 10.617646\nCs Mg Sn\n1 14 1\ndirect\n0.160579 0.830289 0.125000 Cs\n0.162906 0.331452 0.625000 Mg\n0.169155 0.834577 0.625000 Mg\n0.659102 0.334142 0.125000 Mg\n0.669789 0.330603 0.625000 Mg\n0.659102 0.824959 0.125000 Mg\n0.669789 0.839185 0.625000 Mg\n0.337357 0.179630 0.390862 Mg\n0.337357 0.179630 0.859138 Mg\n0.337357 0.657728 0.390862 Mg\n0.337357 0.657728 0.859138 Mg\n0.832734 0.166367 0.368698 Mg\n0.832734 0.166367 0.881302 Mg\n0.817628 0.658815 0.394290 Mg\n0.817628 0.658815 0.855710 Mg\n0.199426 0.349713 0.125000 Sn\n",
"nsites": 16,
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"elements": [
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"density": 2.404166430614628,
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"volume": 408.8106810396145,
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"formula_full": "Cs1 Mg14 Sn1",
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"energy": -25.20964912,
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"spacegroup": 38
},
{
"id": "mp-1026839",
"created_at": "2022-09-04T14:45:00.562726Z",
"structure_string": "Na1 Li1 Mg14\n1.0\n6.465878 0.000000 -0.000000\n-3.232939 5.599614 0.000000\n0.000000 -0.000000 10.185629\nNa Li Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Na\n0.166667 0.333333 0.125000 Li\n0.167686 0.833843 0.125000 Mg\n0.168184 0.834091 0.625000 Mg\n0.666157 0.332314 0.125000 Mg\n0.665909 0.331817 0.625000 Mg\n0.666157 0.833843 0.125000 Mg\n0.665909 0.834091 0.625000 Mg\n0.333651 0.166349 0.371451 Mg\n0.333651 0.166349 0.878549 Mg\n0.333651 0.667303 0.371451 Mg\n0.333651 0.667303 0.878549 Mg\n0.832697 0.166349 0.371451 Mg\n0.832697 0.166349 0.878549 Mg\n0.833333 0.666667 0.376268 Mg\n0.833333 0.666667 0.873732 Mg\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-Mg-Na",
"density": 1.6669131177161742,
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"volume": 368.7851714293629,
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"formula_full": "Na1 Li1 Mg14",
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{
"id": "mp-1028183",
"created_at": "2022-09-04T14:46:52.654109Z",
"structure_string": "Na1 Ca1 Mg14\n1.0\n6.598553 -0.000000 -0.000000\n-3.299277 5.714514 0.000000\n-0.000000 0.000000 10.365777\nNa Ca Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Na\n0.166667 0.333333 0.125000 Ca\n0.172899 0.836449 0.125000 Mg\n0.169617 0.834808 0.625000 Mg\n0.663551 0.327101 0.125000 Mg\n0.665192 0.330383 0.625000 Mg\n0.663551 0.836449 0.125000 Mg\n0.665192 0.834808 0.625000 Mg\n0.337417 0.162583 0.378026 Mg\n0.337417 0.162583 0.871974 Mg\n0.337417 0.674836 0.378026 Mg\n0.337417 0.674836 0.871974 Mg\n0.825164 0.162583 0.378026 Mg\n0.825164 0.162583 0.871974 Mg\n0.833333 0.666667 0.373023 Mg\n0.833333 0.666667 0.876977 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Na",
"density": 1.713515816675425,
"density_atomic": 0.0409345585046195,
"volume": 390.8677798050365,
"volume_molar": 14.711629928341345,
"formula_full": "Na1 Ca1 Mg14",
"formula_reduced": "NaCaMg14",
"formula_anonymous": "ABC14",
"energy": -25.21656838,
"energy_per_atom": -1.57603552375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.21656838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.82e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.239000Z",
"spacegroup": 187
}
]
}