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{
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{
"id": "mp-973461",
"created_at": "2022-09-04T14:47:29.126205Z",
"structure_string": "Hg3 C1\n1.0\n-2.150801 2.150801 4.275035\n2.150801 -2.150801 4.275035\n2.150801 2.150801 -4.275035\nHg C\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 C\n",
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"density": 12.884340695092613,
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"formula_full": "Hg3 C1",
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{
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"chemical_system": "Cd-Mg",
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"updated_at": "2021-11-28T01:35:58.504000Z",
"spacegroup": 187
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{
"id": "mp-1185543",
"created_at": "2022-09-04T14:41:21.976614Z",
"structure_string": "Cs1 K3\n1.0\n6.936616 0.000000 0.000000\n0.000000 6.936616 0.000000\n0.000000 0.000000 6.936616\nCs K\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cs-K",
"density": 1.2447841613181845,
"density_atomic": 0.011984420295081451,
"volume": 333.76666551336217,
"volume_molar": 50.249746017932615,
"formula_full": "Cs1 K3",
"formula_reduced": "CsK3",
"formula_anonymous": "AB3",
"energy": -4.10460446,
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"energy_uncorrected": -4.10460446,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.684000Z",
"spacegroup": 221
},
{
"id": "mp-1186861",
"created_at": "2022-09-04T14:46:37.974524Z",
"structure_string": "Rb6 Na2\n1.0\n4.737427 -8.205465 0.000000\n4.737427 8.205465 0.000000\n0.000000 0.000000 7.532543\nRb Na\n6 2\ndirect\n0.827089 0.172911 0.750000 Rb\n0.345822 0.172911 0.750000 Rb\n0.827089 0.654178 0.750000 Rb\n0.172911 0.827089 0.250000 Rb\n0.654178 0.827089 0.250000 Rb\n0.172911 0.345822 0.250000 Rb\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Na-Rb",
"density": 1.584446333115214,
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"volume": 585.6219460818949,
"volume_molar": 44.08372239312877,
"formula_full": "Rb6 Na2",
"formula_reduced": "Rb3Na",
"formula_anonymous": "AB3",
"energy": -8.2110832,
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"updated_at": "2021-11-28T01:37:40.691000Z",
"spacegroup": 194
},
{
"id": "mp-1096476",
"created_at": "2022-09-04T14:42:17.073462Z",
"structure_string": "Li1 La2 Cd1\n1.0\n-6.386890 6.444691 9.114178\n6.386890 -6.444691 9.114178\n6.386890 6.444691 -9.114178\nLi La Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.251111 0.251111 La\n0.000000 0.748889 0.748889 La\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-La-Li",
"density": 0.43948978082534984,
"density_atomic": 0.0026655753163942622,
"volume": 1500.6141358672323,
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"formula_full": "Li1 La2 Cd1",
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"updated_at": "2021-11-28T01:35:35.376000Z",
"spacegroup": 71
},
{
"id": "mp-1184907",
"created_at": "2022-09-04T14:42:54.464516Z",
"structure_string": "K3 Cd1\n1.0\n-3.353889 3.353889 4.928353\n3.353889 -3.353889 4.928353\n3.353889 3.353889 -4.928353\nK Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Cd\n",
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"chemical_system": "Cd-K",
"density": 1.7201332026851592,
"density_atomic": 0.018038516687815937,
"volume": 221.74772289906676,
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"formula_full": "K3 Cd1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.766000Z",
"spacegroup": 139
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{
"id": "mp-1096179",
"created_at": "2022-09-04T14:43:16.317071Z",
"structure_string": "Ca1 Y1 Mg2\n1.0\n-6.543658 6.635724 9.255505\n6.543658 -6.635724 9.255505\n6.543658 6.635724 -9.255505\nCa Y Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Y\n0.259028 0.000000 0.259028 Mg\n0.740972 0.000000 0.740972 Mg\n",
"nsites": 4,
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"elements": [
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"Y",
"Mg"
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"chemical_system": "Ca-Mg-Y",
"density": 0.18344589647263626,
"density_atomic": 0.0024882325841449494,
"volume": 1607.5667626443171,
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"formula_full": "Ca1 Y1 Mg2",
"formula_reduced": "CaYMg2",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.499000Z",
"spacegroup": 71
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{
"id": "mp-1185554",
"created_at": "2022-09-04T14:39:59.279723Z",
"structure_string": "Cs1 K3\n1.0\n0.000000 5.510101 5.510101\n5.510101 0.000000 5.510101\n5.510101 5.510101 0.000000\nCs K\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n",
"nsites": 4,
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"elements": [
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"density": 1.241733332838156,
"density_atomic": 0.011955047804742125,
"volume": 334.58670055784705,
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"updated_at": "2021-11-28T01:35:06.255000Z",
"spacegroup": 225
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{
"id": "mp-1097394",
"created_at": "2022-09-04T14:48:15.644719Z",
"structure_string": "La2 Zn1 Cd1\n1.0\n-5.401408 6.148133 8.105306\n5.401408 -6.148133 8.105306\n5.401408 6.148133 -8.105306\nLa Zn Cd\n2 1 1\ndirect\n0.759328 0.000000 0.759328 La\n0.240672 0.000000 0.240672 La\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 0.7027205614304561,
"density_atomic": 0.00371518416843499,
"volume": 1076.662641379899,
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"formula_full": "La2 Zn1 Cd1",
"formula_reduced": "La2ZnCd",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:46.762000Z",
"spacegroup": 71
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{
"id": "mp-1227541",
"created_at": "2022-09-04T14:47:28.967368Z",
"structure_string": "Ca1\n1.0\n3.629484 0.000000 -0.060509\n0.000000 3.625656 0.000000\n-0.007781 0.000000 22.217814\nCa\n1\ndirect\n0.000000 0.500000 0.250000 Ca\n",
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"volume": 292.3682938336179,
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"formula_full": "Ca1",
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"formula_anonymous": "A",
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{
"id": "mp-1096174",
"created_at": "2022-09-04T14:48:23.657456Z",
"structure_string": "Y1 Zn2 Cd1\n1.0\n-5.685727 6.042807 8.485349\n5.685727 -6.042807 8.485349\n5.685727 6.042807 -8.485349\nY Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.257187 0.257187 Zn\n0.000000 0.742813 0.742813 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"volume": 1166.150029498763,
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"formula_full": "Y1 Zn2 Cd1",
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{
"id": "mp-1096412",
"created_at": "2022-09-04T14:40:41.458869Z",
"structure_string": "Sc1 Zn2 Cd1\n1.0\n-5.508934 5.645449 7.975566\n5.508934 -5.645449 7.975566\n5.508934 5.645449 -7.975566\nSc Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250230 0.250230 Zn\n0.000000 0.749770 0.749770 Zn\n0.000000 0.500000 0.500000 Cd\n",
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"volume": 992.1733608486267,
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"formula_full": "Sc1 Zn2 Cd1",
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]
}