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{
"id": "mp-1183766",
"created_at": "2022-09-04T14:45:43.172439Z",
"structure_string": "Cs2 K1 Rb1\n1.0\n0.000000 5.811153 5.811153\n5.811153 0.000000 5.811153\n5.811153 5.811153 0.000000\nCs K Rb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Rb\n",
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{
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{
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"structure_string": "Cd1 Ag1\n1.0\n1.701778 -2.414078 0.000000\n1.701778 2.414078 0.000000\n0.000000 0.000000 4.790232\nCd Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
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"formula_full": "Cd1 Ag1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.184000Z",
"spacegroup": 65
},
{
"id": "mp-1226726",
"created_at": "2022-09-04T14:40:56.784293Z",
"structure_string": "Cd1 Ag1\n1.0\n4.952694 -1.527641 0.000000\n4.952694 1.527641 0.000000\n4.481499 0.000000 2.603657\nCd Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
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"volume": 39.39821703080705,
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"formula_full": "Cd1 Ag1",
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"energy": -3.79279223,
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"updated_at": "2021-11-28T01:34:58.214000Z",
"spacegroup": 166
},
{
"id": "mp-1093984",
"created_at": "2022-09-04T14:47:04.282827Z",
"structure_string": "Sr1 Li2 In1\n1.0\n-6.302284 6.518525 8.821404\n6.302284 -6.518525 8.821404\n6.302284 6.518525 -8.821404\nSr Li In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.277335 0.000000 0.277335 Li\n0.722665 0.000000 0.722665 Li\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.2477996923158396,
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"volume": 1449.5894144576832,
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"formula_full": "Sr1 Li2 In1",
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"spacegroup": 71
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{
"id": "mp-974940",
"created_at": "2022-09-04T14:44:50.926782Z",
"structure_string": "Rb3 Mg1\n1.0\n-3.227267 3.227267 6.187574\n3.227267 -3.227267 6.187574\n3.227267 3.227267 -6.187574\nRb Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Rb\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"volume": 257.7805770745803,
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"formula_full": "Rb3 Mg1",
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"updated_at": "2021-11-28T01:36:44.284000Z",
"spacegroup": 139
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{
"id": "mp-1180797",
"created_at": "2022-09-04T14:46:24.262692Z",
"structure_string": "Mg8 Si4\n1.0\n10.735539 0.000000 0.000000\n0.000000 19.942582 0.000000\n0.000000 0.000000 23.156593\nMg Si\n8 4\ndirect\n0.250000 0.525458 0.340049 Mg\n0.250000 0.025458 0.159951 Mg\n0.750000 0.474542 0.659951 Mg\n0.750000 0.974542 0.840049 Mg\n0.250000 0.646503 0.234492 Mg\n0.250000 0.146503 0.265508 Mg\n0.750000 0.353497 0.765508 Mg\n0.750000 0.853497 0.734492 Mg\n0.250000 0.752820 0.624833 Si\n0.250000 0.252820 0.875167 Si\n0.750000 0.247180 0.375167 Si\n0.750000 0.747180 0.124833 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Si"
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"chemical_system": "Mg-Si",
"density": 0.10275407850777936,
"density_atomic": 0.0024204791336588792,
"volume": 4957.696116082764,
"volume_molar": 248.79953213629756,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:37:38.005000Z",
"spacegroup": 62
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{
"id": "mp-2730",
"created_at": "2022-09-04T14:42:26.291982Z",
"structure_string": "Hg1 Te1\n1.0\n0.000000 3.330199 3.330199\n3.330199 0.000000 3.330199\n3.330199 3.330199 0.000000\nHg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Te\n",
"nsites": 2,
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"elements": [
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"density": 7.377919077797716,
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"volume": 73.86531493784373,
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"formula_full": "Hg1 Te1",
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"updated_at": "2021-11-28T01:35:44.467000Z",
"spacegroup": 216
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{
"id": "mp-1097256",
"created_at": "2022-09-04T14:48:07.692457Z",
"structure_string": "Li2 Ga1 Hg1\n1.0\n-5.460114 5.573614 7.705546\n5.460114 -5.573614 7.705546\n5.460114 5.573614 -7.705546\nLi Ga Hg\n2 1 1\ndirect\n0.244165 0.000000 0.244165 Li\n0.755835 0.000000 0.755835 Li\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"density": 0.5031106641363893,
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"volume": 937.9982053102617,
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"formula_full": "Li2 Ga1 Hg1",
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"updated_at": "2021-11-28T01:38:27.500000Z",
"spacegroup": 71
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{
"id": "mp-1093728",
"created_at": "2022-09-04T14:41:27.844733Z",
"structure_string": "Ba2 Li1 In1\n1.0\n-6.562014 7.117695 9.055668\n6.562014 -7.117695 9.055668\n6.562014 7.117695 -9.055668\nBa Li In\n2 1 1\ndirect\n0.735056 0.000000 0.735056 Ba\n0.264944 0.000000 0.264944 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
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"volume": 1691.8311232294238,
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{
"id": "mp-1184962",
"created_at": "2022-09-04T14:42:55.264184Z",
"structure_string": "K1 Cd3\n1.0\n0.000000 3.910743 3.910743\n3.910743 0.000000 3.910743\n3.910743 3.910743 0.000000\nK Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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"density": 5.2241015760713765,
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"spacegroup": 225
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{
"id": "mp-1096017",
"created_at": "2022-09-04T14:44:15.956845Z",
"structure_string": "Na1 Hg2 Sb1\n1.0\n-6.044120 6.155135 8.693754\n6.044120 -6.155135 8.693754\n6.044120 6.155135 -8.693754\nNa Hg Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.245599 0.245599 Hg\n0.000000 0.754401 0.754401 Hg\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"formula_full": "Na1 Hg2 Sb1",
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"updated_at": "2021-11-28T01:36:32.983000Z",
"spacegroup": 71
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]
}