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{
"id": "mp-1096803",
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"structure_string": "Mg1 O2\n1.0\n1.546620 3.058608 0.000000\n-1.546620 3.058608 0.000000\n0.000000 0.338544 3.920821\nMg O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.313116 0.313116 0.795054 O\n0.686884 0.686884 0.204946 O\n",
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{
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{
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"structure_string": "Si1 B1 O3\n1.0\n3.336259 0.000000 0.000000\n0.000000 3.336259 0.000000\n0.000000 0.000000 3.336259\nSi B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Si1 B1 O3",
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"spacegroup": 221
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{
"id": "mp-13099",
"created_at": "2022-09-04T14:43:11.108923Z",
"structure_string": "Y1 N1\n1.0\n0.000000 2.647993 2.647993\n2.647993 0.000000 2.647993\n2.647993 2.647993 0.000000\nY N\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 N\n",
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"spacegroup": 216
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{
"id": "mp-1220954",
"created_at": "2022-09-04T14:45:53.484181Z",
"structure_string": "Na1 O2\n1.0\n2.533125 -2.214271 0.000000\n2.533125 2.214271 0.000000\n0.597572 0.000000 3.310986\nNa O\n1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.396467 0.396467 0.396467 O\n0.603533 0.603533 0.603533 O\n",
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"volume": 37.1428079996599,
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"formula_full": "Na1 O2",
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{
"id": "mp-988940",
"created_at": "2022-09-04T14:45:14.515678Z",
"structure_string": "Al1 As1\n1.0\n0.000000 2.648456 2.648456\n2.648456 0.000000 2.648456\n2.648456 2.648456 0.000000\nAl As\n1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 As\n",
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"elements": [
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"density": 4.554370687206563,
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"volume": 37.1542314572208,
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"spacegroup": 225
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{
"id": "mp-27710",
"created_at": "2022-09-04T14:39:23.038564Z",
"structure_string": "Cr1 B4\n1.0\n-1.426493 2.374709 2.744175\n1.426493 -2.374709 2.744175\n1.426493 2.374709 -2.744175\nCr B\n1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.537472 0.342198 0.195274 B\n0.146924 0.342198 0.804726 B\n0.853076 0.657802 0.195274 B\n0.462528 0.657802 0.804726 B\n",
"nsites": 5,
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"elements": [
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"B"
],
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"density": 4.253212703060286,
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"volume": 37.18363453656999,
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"formula_full": "Cr1 B4",
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"formula_anonymous": "AB4",
"energy": -37.8857533,
"energy_per_atom": -7.577150659999999,
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"updated_at": "2021-11-28T01:34:39.365000Z",
"spacegroup": 71
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{
"id": "mp-1180477",
"created_at": "2022-09-04T14:45:25.177095Z",
"structure_string": "Li1 H1 Pd1\n1.0\n2.770985 0.000000 0.000000\n0.000000 2.770985 0.000000\n0.000000 0.000000 4.843876\nLi H Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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"H",
"Pd"
],
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"density": 5.106176549811876,
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"volume": 37.19301340699399,
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"formula_full": "Li1 H1 Pd1",
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"formula_anonymous": "ABC",
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{
"id": "mp-1247154",
"created_at": "2022-09-04T14:48:03.058131Z",
"structure_string": "Mg1 Mn1 N2\n1.0\n2.955860 0.000000 0.000000\n1.477930 4.992638 -0.065939\n0.000000 14.573798 2.329934\nMg Mn N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.759133 N\n0.000000 0.000000 0.240867 N\n",
"nsites": 4,
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"Mn",
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"volume": 37.22461904436768,
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"formula_full": "Mg1 Mn1 N2",
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{
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"structure_string": "Zr1 P1\n1.0\n0.000000 2.650352 2.650352\n2.650352 0.000000 2.650352\n2.650352 2.650352 0.000000\nZr P\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 P\n",
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{
"id": "mp-1225189",
"created_at": "2022-09-04T14:48:31.146886Z",
"structure_string": "Fe1 Mo1 O1\n1.0\n1.452641 -2.516049 0.000000\n1.452641 2.516049 0.000000\n0.000000 0.000000 5.095117\nFe Mo O\n1 1 1\ndirect\n0.000000 0.000000 0.790765 Fe\n0.666667 0.333333 0.215252 Mo\n0.333333 0.666667 0.493984 O\n",
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{
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"structure_string": "Fe2 Pt1\n1.0\n1.308800 -2.266908 0.000000\n1.308800 2.266908 0.000000\n0.000000 0.000000 6.276851\nFe Pt\n2 1\ndirect\n0.333333 0.666667 0.644540 Fe\n0.666667 0.333333 0.355460 Fe\n0.000000 0.000000 0.000000 Pt\n",
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}