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{
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"results": [
{
"id": "mp-1096165",
"created_at": "2022-09-04T14:48:04.309566Z",
"structure_string": "Y2 Mg1 Cd1\n1.0\n-6.244110 6.405315 8.802854\n6.244110 -6.405315 8.802854\n6.244110 6.405315 -8.802854\nY Mg Cd\n2 1 1\ndirect\n0.260024 0.000000 0.260024 Y\n0.739976 0.000000 0.739976 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
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{
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"spacegroup": 71
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{
"id": "mp-1095768",
"created_at": "2022-09-04T14:45:53.239139Z",
"structure_string": "Y2 Zn1 Cd1\n1.0\n-6.192127 6.335485 8.967926\n6.192127 -6.335485 8.967926\n6.192127 6.335485 -8.967926\nY Zn Cd\n2 1 1\ndirect\n0.000000 0.242563 0.242563 Y\n0.000000 0.757437 0.757437 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n",
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"formula_full": "Y2 Zn1 Cd1",
"formula_reduced": "Y2ZnCd",
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"updated_at": "2021-11-28T01:37:15.128000Z",
"spacegroup": 71
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{
"id": "mp-1182706",
"created_at": "2022-09-04T14:43:59.131573Z",
"structure_string": "Nb12 Al8 N4\n1.0\n20.362438 -0.000000 -0.000000\n-0.000000 20.362438 -0.000000\n0.000000 -0.000000 20.362438\nNb Al N\n12 8 4\ndirect\n0.559712 0.375000 0.809712 Nb\n0.375000 0.809712 0.559712 Nb\n0.309712 0.940288 0.625000 Nb\n0.190288 0.059712 0.125000 Nb\n0.059712 0.125000 0.190288 Nb\n0.940288 0.625000 0.309712 Nb\n0.875000 0.690288 0.440288 Nb\n0.809712 0.559712 0.375000 Nb\n0.690288 0.440288 0.875000 Nb\n0.125000 0.190288 0.059712 Nb\n0.625000 0.309712 0.940288 Nb\n0.440288 0.875000 0.690288 Nb\n0.567325 0.432675 0.932675 Al\n0.067325 0.067325 0.067325 Al\n0.432675 0.932675 0.567325 Al\n0.682675 0.317325 0.817325 Al\n0.817325 0.682675 0.317325 Al\n0.182675 0.182675 0.182675 Al\n0.932675 0.567325 0.432675 Al\n0.317325 0.817325 0.682675 Al\n0.875000 0.625000 0.375000 N\n0.625000 0.375000 0.875000 N\n0.125000 0.125000 0.125000 N\n0.375000 0.875000 0.625000 N\n",
"nsites": 24,
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"elements": [
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"Al",
"N"
],
"chemical_system": "Al-N-Nb",
"density": 0.2727468367355145,
"density_atomic": 0.0028426403529122567,
"volume": 8442.854888558884,
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"formula_full": "Nb12 Al8 N4",
"formula_reduced": "Nb3Al2N",
"formula_anonymous": "AB2C3",
"energy": -127.91740184,
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"updated_at": "2021-11-28T01:36:21.008000Z",
"spacegroup": 212
},
{
"id": "mp-1096199",
"created_at": "2022-09-04T14:47:32.808151Z",
"structure_string": "Y2 Pb1 Au1\n1.0\n-5.736180 6.596183 9.280432\n5.736180 -6.596183 9.280432\n5.736180 6.596183 -9.280432\nY Pb Au\n2 1 1\ndirect\n0.000000 0.250930 0.250930 Y\n0.000000 0.749070 0.749070 Y\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.688037667411853,
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"volume": 1404.5708503459982,
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"formula_full": "Y2 Pb1 Au1",
"formula_reduced": "Y2PbAu",
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"updated_at": "2021-11-28T01:38:11.603000Z",
"spacegroup": 71
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{
"id": "mp-1096593",
"created_at": "2022-09-04T14:45:19.777629Z",
"structure_string": "La1 Y1 Hg2\n1.0\n-6.140412 6.351773 8.983111\n6.140412 -6.351773 8.983111\n6.140412 6.351773 -8.983111\nLa Y Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.246129 0.246129 Hg\n0.000000 0.753871 0.753871 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.7452714966998385,
"density_atomic": 0.002854176022075029,
"volume": 1401.4552603143024,
"volume_molar": 210.9940211613793,
"formula_full": "La1 Y1 Hg2",
"formula_reduced": "LaYHg2",
"formula_anonymous": "ABC2",
"energy": -5.11738187,
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"updated_at": "2021-11-28T01:36:54.764000Z",
"spacegroup": 71
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{
"id": "mp-1093656",
"created_at": "2022-09-04T14:45:22.313918Z",
"structure_string": "Ca2 Ag1 Rh1\n1.0\n-5.376820 6.755176 9.638971\n5.376820 -6.755176 9.638971\n5.376820 6.755176 -9.638971\nCa Ag Rh\n2 1 1\ndirect\n0.000000 0.218251 0.218251 Ca\n0.000000 0.781749 0.781749 Ca\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"density": 0.3449723801448868,
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"volume": 1400.402351867469,
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"formula_full": "Ca2 Ag1 Rh1",
"formula_reduced": "Ca2AgRh",
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"energy": -9.35288872,
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{
"id": "mp-1096533",
"created_at": "2022-09-04T14:47:24.200500Z",
"structure_string": "Mg2 Tl1 Hg1\n1.0\n-6.209700 6.420731 8.777173\n6.209700 -6.420731 8.777173\n6.209700 6.420731 -8.777173\nMg Tl Hg\n2 1 1\ndirect\n0.755237 0.000000 0.755237 Mg\n0.244763 0.000000 0.244763 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"volume": 1399.8121036126927,
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"formula_full": "Mg2 Tl1 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:07.578000Z",
"spacegroup": 71
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{
"id": "mp-689577",
"created_at": "2022-09-04T14:48:16.503225Z",
"structure_string": "Na1\n1.0\n7.046241 0.000000 0.000000\n0.000000 7.046241 0.000000\n0.000000 0.000000 7.046241\nNa\n1\ndirect\n0.500000 0.500000 0.500000 Na\n",
"nsites": 1,
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"elements": [
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"volume": 349.8424287055982,
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"formula_full": "Na1",
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"energy": -0.23878791,
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"updated_at": "2021-11-28T01:38:48.306000Z",
"spacegroup": 221
},
{
"id": "mp-1095872",
"created_at": "2022-09-04T14:41:58.259287Z",
"structure_string": "Y2 Be1 Pb1\n1.0\n-5.683609 6.572650 9.364731\n5.683609 -6.572650 9.364731\n5.683609 6.572650 -9.364731\nY Be Pb\n2 1 1\ndirect\n0.000000 0.246859 0.246859 Y\n0.000000 0.753141 0.753141 Y\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"volume": 1399.3295256546025,
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"formula_full": "Y2 Be1 Pb1",
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"updated_at": "2021-11-28T01:35:31.635000Z",
"spacegroup": 71
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{
"id": "mp-1095981",
"created_at": "2022-09-04T14:42:22.932092Z",
"structure_string": "Na1 Mg1 Cd2\n1.0\n-6.170359 6.331766 8.953741\n6.170359 -6.331766 8.953741\n6.170359 6.331766 -8.953741\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250342 0.250342 Cd\n0.000000 0.749658 0.749658 Cd\n",
"nsites": 4,
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"volume": 1399.2644743451497,
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"formula_full": "Na1 Mg1 Cd2",
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"energy": -1.71110916,
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"updated_at": "2021-11-28T01:35:49.610000Z",
"spacegroup": 71
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{
"id": "mp-1095862",
"created_at": "2022-09-04T14:40:22.790547Z",
"structure_string": "La2 Cd1 Ir1\n1.0\n-5.733746 6.569143 9.277575\n5.733746 -6.569143 9.277575\n5.733746 6.569143 -9.277575\nLa Cd Ir\n2 1 1\ndirect\n0.000000 0.288095 0.288095 La\n0.000000 0.711905 0.711905 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.691923162396687,
"density_atomic": 0.002861662155004379,
"volume": 1397.7890412412708,
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"formula_full": "La2 Cd1 Ir1",
"formula_reduced": "La2CdIr",
"formula_anonymous": "ABC2",
"energy": -13.56876209,
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"energy_uncorrected": -13.56876209,
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"updated_at": "2021-11-28T01:34:46.127000Z",
"spacegroup": 71
}
]
}