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{
"id": "mp-1184473",
"created_at": "2022-09-04T14:41:06.988838Z",
"structure_string": "Eu2 Tl1 In1\n1.0\n0.000000 3.883572 3.883572\n3.883572 0.000000 3.883572\n3.883572 3.883572 0.000000\nEu Tl In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n",
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{
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{
"id": "mp-1127",
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"structure_string": "Sm2 Pt4\n1.0\n0.000000 3.883655 3.883655\n3.883655 0.000000 3.883655\n3.883655 3.883655 0.000000\nSm Pt\n2 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Sm\n0.125000 0.625000 0.625000 Pt\n0.625000 0.625000 0.625000 Pt\n0.625000 0.625000 0.125000 Pt\n0.625000 0.125000 0.625000 Pt\n",
"nsites": 6,
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"formula_full": "Sm2 Pt4",
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"updated_at": "2021-11-28T01:34:53.378000Z",
"spacegroup": 227
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{
"id": "mp-1184659",
"created_at": "2022-09-04T14:46:25.170308Z",
"structure_string": "Gd1 Dy1 In2\n1.0\n0.000000 3.883740 3.883740\n3.883740 0.000000 3.883740\n3.883740 3.883740 0.000000\nGd Dy In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
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"elements": [
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"volume": 117.16029047195524,
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"formula_full": "Gd1 Dy1 In2",
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"spacegroup": 225
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{
"id": "mp-30228",
"created_at": "2022-09-04T14:45:04.513284Z",
"structure_string": "Li8 H2 N2\n1.0\n-2.427820 2.427820 4.969362\n2.427820 -2.427820 4.969362\n2.427820 2.427820 -4.969362\nLi H N\n8 2 2\ndirect\n0.901331 0.800105 0.517593 Li\n0.133738 0.151331 0.601226 Li\n0.550105 0.532512 0.398774 Li\n0.282512 0.383738 0.482407 Li\n0.848669 0.449895 0.982407 Li\n0.616262 0.098669 0.898774 Li\n0.199895 0.717488 0.101226 Li\n0.467488 0.866262 0.017593 Li\n0.000000 0.000000 0.000000 H\n0.750000 0.250000 0.500000 H\n0.500000 0.500000 0.000000 N\n0.250000 0.750000 0.500000 N\n",
"nsites": 12,
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"elements": [
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"density": 1.2125857806276341,
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"volume": 117.16383957471349,
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"formula_full": "Li8 H2 N2",
"formula_reduced": "Li4HN",
"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:36:48.293000Z",
"spacegroup": 88
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{
"id": "mp-1068286",
"created_at": "2022-09-04T14:43:20.021024Z",
"structure_string": "Ca2 Cd1 Pd2\n1.0\n-2.251971 2.973139 4.375065\n2.251971 -2.973139 4.375065\n2.251971 2.973139 -4.375065\nCa Cd Pd\n2 1 2\ndirect\n0.701247 0.201247 0.500000 Ca\n0.298753 0.798753 0.500000 Ca\n0.000000 0.000000 0.000000 Cd\n0.728467 0.500000 0.228467 Pd\n0.271533 0.500000 0.771533 Pd\n",
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"density": 5.745367750800778,
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"volume": 117.17163993188734,
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"formula_full": "Ca2 Cd1 Pd2",
"formula_reduced": "Ca2CdPd2",
"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:36:08.135000Z",
"spacegroup": 71
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{
"id": "mp-1188045",
"created_at": "2022-09-04T14:47:58.896062Z",
"structure_string": "Zr2 Mn6\n1.0\n2.779986 -4.815077 0.000000\n2.779986 4.815077 0.000000\n0.000000 0.000000 4.376830\nZr Mn\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.148782 0.297565 0.250000 Mn\n0.702435 0.851218 0.250000 Mn\n0.148782 0.851218 0.250000 Mn\n0.851218 0.702435 0.750000 Mn\n0.297565 0.148782 0.750000 Mn\n0.851218 0.148782 0.750000 Mn\n",
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"density": 7.256851377441457,
"density_atomic": 0.06827386160183482,
"volume": 117.17515037680255,
"volume_molar": 8.8205656142909,
"formula_full": "Zr2 Mn6",
"formula_reduced": "ZrMn3",
"formula_anonymous": "AB3",
"energy": -70.89969522,
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{
"id": "mp-1221983",
"created_at": "2022-09-04T14:42:17.908144Z",
"structure_string": "Mg1 Mn1 Ni2 Sb2\n1.0\n-3.071271 -3.071271 0.000000\n0.000000 3.071271 -3.071271\n3.116996 -3.116996 -6.188268\nMg Mn Ni Sb\n1 1 2 2\ndirect\n0.996937 0.993873 0.009190 Mg\n0.502330 0.004660 0.493010 Mn\n0.247455 0.494911 0.257634 Ni\n0.750829 0.501658 0.747513 Ni\n0.870848 0.741696 0.387455 Sb\n0.381601 0.763202 0.855197 Sb\n",
"nsites": 6,
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"Ni",
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],
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"volume": 117.17552091313249,
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"formula_full": "Mg1 Mn1 Ni2 Sb2",
"formula_reduced": "MgMn(NiSb)2",
"formula_anonymous": "ABC2D2",
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{
"id": "mp-1077210",
"created_at": "2022-09-04T14:43:38.786595Z",
"structure_string": "Lu2 Ga4\n1.0\n-2.110989 3.414855 4.063917\n2.110989 -3.414855 4.063917\n2.110989 3.414855 -4.063917\nLu Ga\n2 4\ndirect\n0.189213 0.439213 0.750000 Lu\n0.810787 0.560787 0.250000 Lu\n0.391284 0.839886 0.551398 Ga\n0.608716 0.160114 0.448602 Ga\n0.211513 0.160114 0.051398 Ga\n0.788487 0.839886 0.948602 Ga\n",
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"formula_full": "Lu2 Ga4",
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"energy": -24.606788870000003,
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{
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"created_at": "2022-09-04T14:48:26.890607Z",
"structure_string": "Ce2 P2 Ir2\n1.0\n-2.015516 2.015516 7.211606\n2.015516 -2.015516 7.211606\n2.015516 2.015516 -7.211606\nCe P Ir\n2 2 2\ndirect\n0.750655 0.750655 0.000000 Ce\n0.500655 0.000655 0.500000 Ce\n0.169955 0.169955 0.000000 P\n0.919955 0.419955 0.500000 P\n0.084920 0.584920 0.500000 Ir\n0.334920 0.334920 0.000000 Ir\n",
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"formula_full": "Ce2 P2 Ir2",
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{
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"structure_string": "Pr2 Sn1 Hg1\n1.0\n0.000000 3.884032 3.884032\n3.884032 0.000000 3.884032\n3.884032 3.884032 0.000000\nPr Sn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Hg\n",
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"formula_full": "Pr2 Sn1 Hg1",
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{
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"created_at": "2022-09-04T14:41:17.842188Z",
"structure_string": "Ni3 Se4\n1.0\n1.837003 5.970705 0.000000\n-1.837003 5.970705 0.000000\n0.000000 3.140404 5.342117\nNi Se\n3 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.259865 0.259865 0.720824 Ni\n0.740135 0.740135 0.279176 Ni\n0.118369 0.118369 0.542139 Se\n0.881631 0.881631 0.457861 Se\n0.635512 0.635512 0.022791 Se\n0.364488 0.364488 0.977209 Se\n",
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"volume": 117.18684738067796,
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"formula_full": "Ni3 Se4",
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"formula_anonymous": "A3B4",
"energy": -35.14137449,
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"spacegroup": 12
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]
}