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{
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"results": [
{
"id": "mp-1186874",
"created_at": "2022-09-04T14:45:24.626283Z",
"structure_string": "Rb3 Sm1\n1.0\n-3.073628 3.073628 6.964520\n3.073628 -3.073628 6.964520\n3.073628 3.073628 -6.964520\nRb Sm\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Sm\n",
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"formula_full": "Rb3 Sm1",
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{
"id": "mp-1097095",
"created_at": "2022-09-04T14:43:10.554259Z",
"structure_string": "Sr1 Li2 Ge1\n1.0\n-6.078522 6.538727 9.478352\n6.078522 -6.538727 9.478352\n6.078522 6.538727 -9.478352\nSr Li Ge\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.204089 0.204089 Li\n0.000000 0.795911 0.795911 Li\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"volume": 1506.898577056338,
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"updated_at": "2021-11-28T01:36:02.568000Z",
"spacegroup": 71
},
{
"id": "mp-1095800",
"created_at": "2022-09-04T14:41:57.121247Z",
"structure_string": "Li1 Ca2 Sn1\n1.0\n-6.329167 6.475028 8.927843\n6.329167 -6.475028 8.927843\n6.329167 6.475028 -8.927843\nLi Ca Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.738050 0.000000 0.738050 Ca\n0.261950 0.000000 0.261950 Ca\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Ca",
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],
"chemical_system": "Ca-Li-Sn",
"density": 0.23351484676825604,
"density_atomic": 0.00273316121856738,
"volume": 1463.506789437269,
"volume_molar": 220.3360972301729,
"formula_full": "Li1 Ca2 Sn1",
"formula_reduced": "LiCa2Sn",
"formula_anonymous": "ABC2",
"energy": -5.17743525,
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"energy_uncorrected": -5.17743525,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.510000Z",
"spacegroup": 71
},
{
"id": "mp-639774",
"created_at": "2022-09-04T14:47:03.918638Z",
"structure_string": "Sr1\n1.0\n3.851356 0.000000 0.000000\n0.000000 3.851356 0.000000\n0.000000 0.000000 3.851356\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
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"elements": [
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],
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"density": 2.5468968300280372,
"density_atomic": 0.01750487470546341,
"volume": 57.126944169894124,
"volume_molar": 34.402649897976374,
"formula_full": "Sr1",
"formula_reduced": "Sr",
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"energy": -1.29243919,
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"energy_uncorrected": -1.29243919,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.881000Z",
"spacegroup": 221
},
{
"id": "mp-1022712",
"created_at": "2022-09-04T14:42:08.380191Z",
"structure_string": "Cs1 Mg6 Zn1\n1.0\n2.976435 -9.196142 0.000000\n2.976435 9.196142 0.000000\n0.000000 0.000000 5.226205\nCs Mg Zn\n1 6 1\ndirect\n0.290914 0.709086 0.500000 Cs\n0.314562 0.182389 0.500000 Mg\n0.817611 0.685438 0.500000 Mg\n0.200981 0.286330 0.000000 Mg\n0.713670 0.799019 0.000000 Mg\n0.616970 0.383030 0.000000 Mg\n0.108972 0.891028 0.000000 Mg\n0.936323 0.063677 0.500000 Zn\n",
"nsites": 8,
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"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Cs-Mg-Zn",
"density": 1.9974290494661573,
"density_atomic": 0.027962209082249855,
"volume": 286.1004284914787,
"volume_molar": 21.53671314839999,
"formula_full": "Cs1 Mg6 Zn1",
"formula_reduced": "CsMg6Zn",
"formula_anonymous": "ABC6",
"energy": -10.33585047,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.548000Z",
"spacegroup": 38
},
{
"id": "mp-1179325",
"created_at": "2022-09-04T14:40:35.686988Z",
"structure_string": "Sr1\n1.0\n3.773016 0.000000 0.000000\n0.000000 3.773016 0.000000\n0.000000 0.000000 3.881346\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
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"elements": [
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"chemical_system": "Sr",
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"density_atomic": 0.018098406849403732,
"volume": 55.25348216121829,
"volume_molar": 33.27442470550055,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.28977295,
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"is_stable": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.499000Z",
"spacegroup": 123
},
{
"id": "mp-1096626",
"created_at": "2022-09-04T14:47:24.568616Z",
"structure_string": "Ba2 Na1 Sn1\n1.0\n-7.030813 7.278277 10.271138\n7.030813 -7.278277 10.271138\n7.030813 7.278277 -10.271138\nBa Na Sn\n2 1 1\ndirect\n0.000000 0.272688 0.272688 Ba\n0.000000 0.727312 0.727312 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Na",
"Sn"
],
"chemical_system": "Ba-Na-Sn",
"density": 0.32885080955100965,
"density_atomic": 0.0019025991942046687,
"volume": 2102.3870987562855,
"volume_molar": 316.5217760179593,
"formula_full": "Ba2 Na1 Sn1",
"formula_reduced": "Ba2NaSn",
"formula_anonymous": "ABC2",
"energy": -5.15493015,
"energy_per_atom": -1.2887325375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:06.281000Z",
"spacegroup": 71
},
{
"id": "mp-974658",
"created_at": "2022-09-04T14:40:21.718528Z",
"structure_string": "Rb6 Ac2\n1.0\n4.653833 -8.060675 0.000000\n4.653833 8.060675 0.000000\n0.000000 0.000000 7.719440\nRb Ac\n6 2\ndirect\n0.170487 0.340974 0.250000 Rb\n0.659026 0.829513 0.250000 Rb\n0.170487 0.829513 0.250000 Rb\n0.829513 0.659026 0.750000 Rb\n0.340974 0.170487 0.750000 Rb\n0.829513 0.170487 0.750000 Rb\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
"nsites": 8,
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"elements": [
"Rb",
"Ac"
],
"chemical_system": "Ac-Rb",
"density": 2.7719844918585737,
"density_atomic": 0.013813126511131901,
"volume": 579.1592506991706,
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"formula_full": "Rb6 Ac2",
"formula_reduced": "Rb3Ac",
"formula_anonymous": "AB3",
"energy": -10.30479672,
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"updated_at": "2021-11-28T01:35:04.316000Z",
"spacegroup": 194
},
{
"id": "mp-1247881",
"created_at": "2022-09-04T14:46:16.248352Z",
"structure_string": "Ba1 Cu6 P2\n1.0\n15.164600 0.000000 0.000000\n0.000000 15.164600 0.000000\n0.000000 0.000000 29.653542\nBa Cu P\n1 6 2\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.696152 Cu\n0.000000 0.500000 0.303848 Cu\n-0.000000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.696152 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.303848 Cu\n0.500000 0.500000 0.426546 P\n0.500000 0.500000 0.573454 P\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Cu",
"P"
],
"chemical_system": "Ba-Cu-P",
"density": 0.14136784074815095,
"density_atomic": 0.001319787513610356,
"volume": 6819.279548553974,
"volume_molar": 456.2962369242365,
"formula_full": "Ba1 Cu6 P2",
"formula_reduced": "Ba(Cu3P)2",
"formula_anonymous": "AB2C6",
"energy": -11.59121438,
"energy_per_atom": -1.2879127088888889,
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"updated_at": "2021-11-28T01:37:27.201000Z",
"spacegroup": 123
},
{
"id": "mp-2504",
"created_at": "2022-09-04T14:47:56.389504Z",
"structure_string": "Rb2 Zn26\n1.0\n0.000000 6.222326 6.222326\n6.222326 0.000000 6.222326\n6.222326 6.222326 0.000000\nRb Zn\n2 26\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.298724 0.939494 0.060506 Zn\n0.798724 0.201276 0.560506 Zn\n0.560506 0.439494 0.798724 Zn\n0.798724 0.439494 0.201276 Zn\n0.439494 0.798724 0.560506 Zn\n0.439494 0.201276 0.798724 Zn\n0.560506 0.798724 0.201276 Zn\n0.060506 0.939494 0.701276 Zn\n0.701276 0.939494 0.298724 Zn\n0.939494 0.701276 0.060506 Zn\n0.701276 0.298724 0.060506 Zn\n0.939494 0.060506 0.298724 Zn\n0.060506 0.298724 0.939494 Zn\n0.298724 0.701276 0.939494 Zn\n0.298724 0.060506 0.701276 Zn\n0.560506 0.201276 0.439494 Zn\n0.201276 0.798724 0.439494 Zn\n0.201276 0.439494 0.560506 Zn\n0.798724 0.560506 0.439494 Zn\n0.439494 0.560506 0.201276 Zn\n0.201276 0.560506 0.798724 Zn\n0.060506 0.701276 0.298724 Zn\n0.939494 0.298724 0.701276 Zn\n0.701276 0.060506 0.939494 Zn\n",
"nsites": 28,
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"volume": 481.8238332470689,
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"formula_full": "Rb2 Zn26",
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"updated_at": "2021-11-28T01:38:17.335000Z",
"spacegroup": 226
},
{
"id": "mp-1096018",
"created_at": "2022-09-04T14:43:48.442705Z",
"structure_string": "Ba1 Li2 Sn1\n1.0\n-6.338868 6.548757 9.089066\n6.338868 -6.548757 9.089066\n6.338868 6.548757 -9.089066\nBa Li Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.210452 0.210452 Li\n0.000000 0.789548 0.789548 Li\n0.000000 0.000000 0.000000 Sn\n",
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"volume": 1509.2105492277685,
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"formula_full": "Ba1 Li2 Sn1",
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"energy": -5.1459472,
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"updated_at": "2021-11-28T01:36:10.658000Z",
"spacegroup": 71
},
{
"id": "mp-977115",
"created_at": "2022-09-04T14:42:19.437999Z",
"structure_string": "Na1 Sr1 Hg2\n1.0\n0.000000 3.900283 3.900283\n3.900283 0.000000 3.900283\n3.900283 3.900283 0.000000\nNa Sr Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Sr",
"Hg"
],
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"density": 7.161802521011423,
"density_atomic": 0.03370867139640861,
"volume": 118.66382845412792,
"volume_molar": 17.865256951781287,
"formula_full": "Na1 Sr1 Hg2",
"formula_reduced": "NaSrHg2",
"formula_anonymous": "ABC2",
"energy": -5.14573458,
"energy_per_atom": -1.286433645,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:43.998000Z",
"spacegroup": 225
}
]
}