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{
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"results": [
{
"id": "mp-1096139",
"created_at": "2022-09-04T14:40:24.465083Z",
"structure_string": "Li1 Cd2 Ni1\n1.0\n-5.375194 5.915680 8.243327\n5.375194 -5.915680 8.243327\n5.375194 5.915680 -8.243327\nLi Cd Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257434 0.257434 Cd\n0.000000 0.742566 0.742566 Cd\n0.000000 0.500000 0.500000 Ni\n",
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{
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"elements": [
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"updated_at": "2021-11-28T01:37:21.025000Z",
"spacegroup": 25
},
{
"id": "mp-1093897",
"created_at": "2022-09-04T14:46:24.156179Z",
"structure_string": "Li2 La1 Al1\n1.0\n-10.335142 0.000000 -5.966996\n-10.496666 -0.027233 6.246765\n-6.931098 10.057715 0.071021\nLi La Al\n2 1 1\ndirect\n0.766174 1.000000 0.000000 Li\n0.233826 0.000000 1.000000 Li\n0.500000 0.000000 -0.000000 La\n0.000000 0.000000 -0.000000 Al\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-La-Li",
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"density_atomic": 0.003123938332599017,
"volume": 1280.4350067538394,
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"formula_full": "Li2 La1 Al1",
"formula_reduced": "Li2LaAl",
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"energy_uncorrected": -4.835912,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.085000Z",
"spacegroup": 71
},
{
"id": "mp-1095830",
"created_at": "2022-09-04T14:43:11.524180Z",
"structure_string": "Sr2 Li1 Sn1\n1.0\n-6.598649 6.860735 9.294015\n6.598649 -6.860735 9.294015\n6.598649 6.860735 -9.294015\nSr Li Sn\n2 1 1\ndirect\n0.738187 0.000000 0.738187 Sr\n0.261813 0.000000 0.261813 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Li",
"Sn"
],
"chemical_system": "Li-Sn-Sr",
"density": 0.296872016418202,
"density_atomic": 0.002376681351310967,
"volume": 1683.0190541923585,
"volume_molar": 253.3844411527113,
"formula_full": "Sr2 Li1 Sn1",
"formula_reduced": "Sr2LiSn",
"formula_anonymous": "ABC2",
"energy": -4.83011825,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.068000Z",
"spacegroup": 71
},
{
"id": "mp-973601",
"created_at": "2022-09-04T14:48:00.571361Z",
"structure_string": "Hg1 I3\n1.0\n-2.257526 2.257526 8.465275\n2.257526 -2.257526 8.465275\n2.257526 2.257526 -8.465275\nHg I\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.750000 0.250000 0.500000 I\n0.250000 0.750000 0.500000 I\n0.500000 0.500000 0.000000 I\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-I",
"density": 5.593522432287204,
"density_atomic": 0.023178931252505072,
"volume": 172.5705105392941,
"volume_molar": 25.981097637317315,
"formula_full": "Hg1 I3",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.089000Z",
"spacegroup": 139
},
{
"id": "mp-1172894",
"created_at": "2022-09-04T14:46:27.249595Z",
"structure_string": "Ca2 Ga4\n1.0\n17.361917 0.000000 0.000000\n-8.680958 15.035861 -0.000000\n0.000000 -0.000000 29.921568\nCa Ga\n2 4\ndirect\n-0.000000 0.000000 0.250000 Ca\n-0.000000 0.000000 0.750000 Ca\n0.666667 0.333333 0.704356 Ga\n0.333333 0.666667 0.204356 Ga\n0.666667 0.333333 0.795644 Ga\n0.333333 0.666667 0.295644 Ga\n",
"nsites": 6,
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"elements": [
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],
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"density": 0.07632930061378769,
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"volume": 7811.066340058934,
"volume_molar": 783.9890164255487,
"formula_full": "Ca2 Ga4",
"formula_reduced": "CaGa2",
"formula_anonymous": "AB2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.169000Z",
"spacegroup": 194
},
{
"id": "mp-1226724",
"created_at": "2022-09-04T14:43:17.160099Z",
"structure_string": "Cd1 Sb1\n1.0\n3.108627 0.000000 0.000000\n0.000000 3.239193 0.000000\n0.000000 0.000000 5.474133\nCd Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 2,
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"elements": [
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"Sb"
],
"chemical_system": "Cd-Sb",
"density": 7.054421793456101,
"density_atomic": 0.036283503111218224,
"volume": 55.12146922168701,
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"formula_full": "Cd1 Sb1",
"formula_reduced": "CdSb",
"formula_anonymous": "AB",
"energy": -5.01803253,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:06.003000Z",
"spacegroup": 47
},
{
"id": "mp-1096009",
"created_at": "2022-09-04T14:39:41.282917Z",
"structure_string": "Na2 Tl1 Pb1\n1.0\n-6.358477 6.439894 9.075325\n6.358477 -6.439894 9.075325\n6.358477 6.439894 -9.075325\nNa Tl Pb\n2 1 1\ndirect\n0.000000 0.253706 0.253706 Na\n0.000000 0.746294 0.746294 Na\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Tl",
"Pb"
],
"chemical_system": "Na-Pb-Tl",
"density": 0.51114702958938,
"density_atomic": 0.0026909522390361237,
"volume": 1486.462651389445,
"volume_molar": 223.79218302875117,
"formula_full": "Na2 Tl1 Pb1",
"formula_reduced": "Na2TlPb",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:32.206000Z",
"spacegroup": 71
},
{
"id": "mp-29551",
"created_at": "2022-09-04T14:42:11.588466Z",
"structure_string": "Na3 Hg1\n1.0\n0.000000 3.875865 3.875865\n3.875865 0.000000 3.875865\n3.875865 3.875865 0.000000\nNa Hg\n3 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
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"density": 3.843859535628861,
"density_atomic": 0.0343497887403164,
"volume": 116.44904224127569,
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"formula_full": "Na3 Hg1",
"formula_reduced": "Na3Hg",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:37.679000Z",
"spacegroup": 225
},
{
"id": "mp-1094850",
"created_at": "2022-09-04T14:42:20.499171Z",
"structure_string": "Mg1 Ga1\n1.0\n1.569364 -2.718217 0.000000\n1.569364 2.718217 0.000000\n0.000000 0.000000 4.687775\nMg Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 2,
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"elements": [
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],
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"volume": 39.99489532943469,
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"formula_full": "Mg1 Ga1",
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"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:35:45.115000Z",
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},
{
"id": "mp-1096269",
"created_at": "2022-09-04T14:46:21.542562Z",
"structure_string": "Li1 Y1 Zn2\n1.0\n-5.587028 5.922853 8.361257\n5.587028 -5.922853 8.361257\n5.587028 5.922853 -8.361257\nLi Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.237274 0.237274 Zn\n0.000000 0.762726 0.762726 Zn\n",
"nsites": 4,
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"volume": 1106.7342895013908,
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"formula_full": "Li1 Y1 Zn2",
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"updated_at": "2021-11-28T01:37:30.956000Z",
"spacegroup": 71
},
{
"id": "mp-1186050",
"created_at": "2022-09-04T14:46:51.889045Z",
"structure_string": "Na3 Hg1\n1.0\n-2.410195 2.410195 5.049740\n2.410195 -2.410195 5.049740\n2.410195 2.410195 -5.049740\nNa Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"formula_full": "Na3 Hg1",
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"energy": -4.81049717,
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}
]
}