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{
"id": "mp-1095934",
"created_at": "2022-09-04T14:42:06.517645Z",
"structure_string": "Ba2 Zn1 Au1\n1.0\n-6.346188 6.643510 9.407967\n6.346188 -6.643510 9.407967\n6.346188 6.643510 -9.407967\nBa Zn Au\n2 1 1\ndirect\n0.000000 0.255638 0.255638 Ba\n0.000000 0.744362 0.744362 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Au\n",
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{
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"structure_string": "Rb1 Na2 Bi1\n1.0\n-6.919010 7.225098 10.180580\n6.919010 -7.225098 10.180580\n6.919010 7.225098 -10.180580\nRb Na Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.276311 0.276311 Na\n0.000000 0.723689 0.723689 Na\n0.000000 0.500000 0.500000 Bi\n",
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"spacegroup": 71
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{
"id": "mp-63",
"created_at": "2022-09-04T14:39:15.625470Z",
"structure_string": "Pr1\n1.0\n-2.087273 2.087273 2.087273\n2.087273 -2.087273 2.087273\n2.087273 2.087273 -2.087273\nPr\n1\ndirect\n0.000000 0.000000 0.000000 Pr\n",
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"formula_full": "Pr1",
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.023000Z",
"spacegroup": 229
},
{
"id": "mp-976292",
"created_at": "2022-09-04T14:44:41.939698Z",
"structure_string": "Na1 Cu1\n1.0\n1.418297 -2.456563 0.000000\n1.418297 2.456563 0.000000\n0.000000 0.000000 4.960376\nNa Cu\n1 1\ndirect\n0.666667 0.333333 0.000000 Na\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 2,
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"elements": [
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"density": 4.157239761567835,
"density_atomic": 0.05786158309837369,
"volume": 34.565248527674896,
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"formula_full": "Na1 Cu1",
"formula_reduced": "NaCu",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.526000Z",
"spacegroup": 187
},
{
"id": "mp-1096496",
"created_at": "2022-09-04T14:48:28.252718Z",
"structure_string": "Na1 Zn2 Au1\n1.0\n-5.457809 5.861990 8.271718\n5.457809 -5.861990 8.271718\n5.457809 5.861990 -8.271718\nNa Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.266889 0.266889 Zn\n0.000000 0.733111 0.733111 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Zn",
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"density": 0.5502471398185703,
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"volume": 1058.5688686482943,
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"formula_full": "Na1 Zn2 Au1",
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"updated_at": "2021-11-28T01:39:17.812000Z",
"spacegroup": 71
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{
"id": "mp-1096468",
"created_at": "2022-09-04T14:42:20.324862Z",
"structure_string": "Li1 Zn2 Cu1\n1.0\n-4.662553 5.057437 6.532385\n4.662553 -5.057437 6.532385\n4.662553 5.057437 -6.532385\nLi Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.741262 0.000000 0.741262 Zn\n0.258738 0.000000 0.258738 Zn\n0.500000 0.000000 0.500000 Cu\n",
"nsites": 4,
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"elements": [
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"density": 0.5425223473906745,
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"volume": 616.1493962592459,
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"formula_full": "Li1 Zn2 Cu1",
"formula_reduced": "LiZn2Cu",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:49.350000Z",
"spacegroup": 71
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{
"id": "mp-1095730",
"created_at": "2022-09-04T14:39:58.996071Z",
"structure_string": "Tl2 Cd1 In1\n1.0\n-6.038936 6.254932 8.846123\n6.038936 -6.254932 8.846123\n6.038936 6.254932 -8.846123\nTl Cd In\n2 1 1\ndirect\n0.000000 0.255709 0.255709 Tl\n0.000000 0.744291 0.744291 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Cd",
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"density": 0.7901457779772807,
"density_atomic": 0.0029927056712614262,
"volume": 1336.583158982687,
"volume_molar": 201.22729802098,
"formula_full": "Tl2 Cd1 In1",
"formula_reduced": "Tl2CdIn",
"formula_anonymous": "ABC2",
"energy": -4.63551041,
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"updated_at": "2021-11-28T01:34:43.187000Z",
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{
"id": "mp-632319",
"created_at": "2022-09-04T14:39:23.697847Z",
"structure_string": "Cs1 H1\n1.0\n3.858608 0.000000 0.000000\n0.000000 3.858608 0.000000\n0.000000 0.000000 3.858608\nCs H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
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"elements": [
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"density": 3.870625262107667,
"density_atomic": 0.03481272460499825,
"volume": 57.45025770585188,
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"formula_full": "Cs1 H1",
"formula_reduced": "CsH",
"formula_anonymous": "AB",
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"spacegroup": 221
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{
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"created_at": "2022-09-04T14:45:56.396145Z",
"structure_string": "Nd1\n1.0\n-2.066667 2.066667 2.066667\n2.066667 -2.066667 2.066667\n2.066667 2.066667 -2.066667\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 1,
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"elements": [
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],
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"volume": 35.307868936299045,
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"formula_full": "Nd1",
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"energy": -4.62818377,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:13.846000Z",
"spacegroup": 229
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{
"id": "mp-1096231",
"created_at": "2022-09-04T14:43:07.690306Z",
"structure_string": "Li1 Mg2 Cu1\n1.0\n-5.444042 5.510813 7.695358\n5.444042 -5.510813 7.695358\n5.444042 5.510813 -7.695358\nLi Mg Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735261 0.000000 0.735261 Mg\n0.264739 0.000000 0.264739 Mg\n0.500000 0.000000 0.500000 Cu\n",
"nsites": 4,
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"elements": [
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"density": 0.214152899119336,
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"volume": 923.476740348288,
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"formula_full": "Li1 Mg2 Cu1",
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{
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"created_at": "2022-09-04T14:40:43.046609Z",
"structure_string": "Yb3\n1.0\n9.508741 -1.939487 0.000000\n9.508741 1.939487 0.000000\n9.113146 0.000000 3.335916\nYb\n3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.222416 0.222416 0.222416 Yb\n0.777584 0.777584 0.777584 Yb\n",
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"formula_full": "Yb3",
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{
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"created_at": "2022-09-04T14:48:08.522592Z",
"structure_string": "Si1 Hg3\n1.0\n-2.158251 2.158251 4.975199\n2.158251 -2.158251 4.975199\n2.158251 2.158251 -4.975199\nSi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
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"elements": [
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"volume": 92.69885064783358,
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"updated_at": "2021-11-28T01:38:30.838000Z",
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]
}