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{
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"results": [
{
"id": "mp-756372",
"created_at": "2022-09-04T14:41:06.265112Z",
"structure_string": "Rb8 Mg4 O8\n1.0\n5.636481 0.000000 0.000000\n0.000000 6.528313 0.000000\n0.000000 0.000000 10.931766\nRb Mg O\n8 4 8\ndirect\n0.561714 0.362265 0.155567 Rb\n0.061714 0.637735 0.155567 Rb\n0.061714 0.137735 0.344433 Rb\n0.561714 0.862265 0.344433 Rb\n0.438286 0.137735 0.655567 Rb\n0.938286 0.862265 0.655567 Rb\n0.938286 0.362265 0.844433 Rb\n0.438286 0.637735 0.844433 Rb\n0.250000 0.012757 0.000000 Mg\n0.750000 0.987243 0.000000 Mg\n0.750000 0.487243 0.500000 Mg\n0.250000 0.512757 0.500000 Mg\n0.994255 0.165546 0.090670 O\n0.494255 0.834454 0.090670 O\n0.494255 0.334454 0.409330 O\n0.994255 0.665546 0.409330 O\n0.005745 0.334454 0.590670 O\n0.505745 0.665546 0.590670 O\n0.505745 0.165546 0.909330 O\n0.005745 0.834454 0.909330 O\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.049719946535089134,
"volume": 402.25304719274567,
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"formula_full": "Rb8 Mg4 O8",
"formula_reduced": "Rb2MgO2",
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"updated_at": "2021-11-28T01:35:21.498000Z",
"spacegroup": 60
},
{
"id": "mp-1186884",
"created_at": "2022-09-04T14:44:41.385974Z",
"structure_string": "Rb1 Mg1 O3\n1.0\n4.194742 0.000000 0.000000\n0.000000 4.194742 0.000000\n0.000000 0.000000 4.194742\nRb Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Mg-O-Rb",
"density": 3.5494455011838277,
"density_atomic": 0.0677414113983704,
"volume": 73.81009484134074,
"volume_molar": 8.889895612870076,
"formula_full": "Rb1 Mg1 O3",
"formula_reduced": "RbMgO3",
"formula_anonymous": "ABC3",
"energy": -24.41643675,
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"energy_uncorrected": -22.35543675,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.969000Z",
"spacegroup": 221
},
{
"id": "mp-1541753",
"created_at": "2022-09-04T14:43:54.368476Z",
"structure_string": "Rb8 Mg4 O8\n1.0\n11.036085 0.000000 0.000000\n0.000000 6.478075 0.000000\n0.000000 0.000000 5.569724\nRb Mg O\n8 4 8\ndirect\n0.154517 0.358365 0.501779 Rb\n0.154517 0.641635 0.001779 Rb\n0.345483 0.141635 0.001779 Rb\n0.345483 0.858365 0.501779 Rb\n0.654517 0.141635 0.498221 Rb\n0.654517 0.858365 0.998221 Rb\n0.845483 0.358365 0.998221 Rb\n0.845483 0.641635 0.498221 Rb\n0.000000 0.000404 0.250000 Mg\n0.000000 0.999596 0.750000 Mg\n0.500000 0.499596 0.750000 Mg\n0.500000 0.500404 0.250000 Mg\n0.090716 0.167942 0.999791 O\n0.090716 0.832058 0.499791 O\n0.409284 0.332058 0.499791 O\n0.409284 0.667942 0.999791 O\n0.590716 0.332058 0.000209 O\n0.590716 0.667942 0.500209 O\n0.909284 0.167942 0.500209 O\n0.909284 0.832058 0.000209 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"O"
],
"chemical_system": "Mg-O-Rb",
"density": 3.7905134267834026,
"density_atomic": 0.05022677717123028,
"volume": 398.1939739397799,
"volume_molar": 11.98990080424563,
"formula_full": "Rb8 Mg4 O8",
"formula_reduced": "Rb2MgO2",
"formula_anonymous": "AB2C2",
"energy": -91.97092905,
"energy_per_atom": -4.5985464525,
"energy_above_hull": null,
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"energy_uncorrected": -86.47492905,
"band_gap": 2.3111,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0020418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.085000Z",
"spacegroup": 72
},
{
"id": "mp-1024035",
"created_at": "2022-09-04T14:43:53.120562Z",
"structure_string": "Rb1 Mg3 O4\n1.0\n4.652168 -0.000000 -0.000000\n-0.000000 4.652168 -0.000000\n0.000000 0.000000 4.652168\nRb Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
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"elements": [
"Rb",
"Mg",
"O"
],
"chemical_system": "Mg-O-Rb",
"density": 3.667578646777444,
"density_atomic": 0.07945547311506507,
"volume": 100.68532331831486,
"volume_molar": 7.57926486861253,
"formula_full": "Rb1 Mg3 O4",
"formula_reduced": "RbMg3O4",
"formula_anonymous": "AB3C4",
"energy": -41.21752819,
"energy_per_atom": -5.15219102375,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -38.46952819,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.395000Z",
"spacegroup": 221
},
{
"id": "mp-778256",
"created_at": "2022-09-04T14:40:20.233363Z",
"structure_string": "Rb16 Mg8 O16\n1.0\n6.489348 0.000000 0.000000\n0.000000 9.780141 0.000000\n0.000000 7.688057 14.269965\nRb Mg O\n16 8 16\ndirect\n0.332055 0.852689 0.970572 Rb\n0.871223 0.920511 0.835017 Rb\n0.084118 0.680635 0.740031 Rb\n0.565155 0.568464 0.879036 Rb\n0.167945 0.852689 0.470572 Rb\n0.628777 0.920511 0.335017 Rb\n0.065155 0.431536 0.620964 Rb\n0.584118 0.319365 0.759969 Rb\n0.415882 0.680635 0.240031 Rb\n0.934845 0.568464 0.379036 Rb\n0.371223 0.079489 0.664983 Rb\n0.832055 0.147311 0.529428 Rb\n0.434845 0.431536 0.120964 Rb\n0.915882 0.319365 0.259969 Rb\n0.128777 0.079489 0.164983 Rb\n0.667945 0.147311 0.029428 Rb\n0.628506 0.756714 0.627397 Mg\n0.049837 0.411876 0.959677 Mg\n0.549837 0.588124 0.540323 Mg\n0.128506 0.243286 0.872603 Mg\n0.871494 0.756714 0.127397 Mg\n0.450163 0.411876 0.459677 Mg\n0.950163 0.588124 0.040323 Mg\n0.371494 0.243286 0.372603 Mg\n0.695608 0.862206 0.696714 O\n0.128495 0.628887 0.929675 O\n0.774735 0.739918 0.527325 O\n0.402087 0.616938 0.642222 O\n0.902087 0.383062 0.857778 O\n0.274735 0.260082 0.972675 O\n0.804392 0.862206 0.196714 O\n0.371505 0.628887 0.429675 O\n0.628495 0.371113 0.570325 O\n0.195608 0.137794 0.803286 O\n0.725265 0.739918 0.027325 O\n0.097913 0.616938 0.142222 O\n0.597913 0.383062 0.357778 O\n0.225265 0.260082 0.472675 O\n0.871505 0.371113 0.070325 O\n0.304392 0.137794 0.303286 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"O"
],
"chemical_system": "Mg-O-Rb",
"density": 3.333140571903006,
"density_atomic": 0.044166288292882924,
"volume": 905.6681361753849,
"volume_molar": 13.63515249473754,
"formula_full": "Rb16 Mg8 O16",
"formula_reduced": "Rb2MgO2",
"formula_anonymous": "AB2C2",
"energy": -183.06775079,
"energy_per_atom": -4.576693769749999,
"energy_above_hull": null,
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"energy_uncorrected": -172.07575079000003,
"band_gap": 1.6497,
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"updated_at": "2021-11-28T01:34:54.659000Z",
"spacegroup": 14
},
{
"id": "mp-1209620",
"created_at": "2022-09-04T14:46:07.611087Z",
"structure_string": "Rb8 Mg8 S12 O48\n1.0\n10.149918 0.000000 0.000000\n0.000000 10.149918 0.000000\n0.000000 0.000000 10.149918\nRb Mg S O\n8 8 12 48\ndirect\n0.047871 0.047871 0.047871 Rb\n0.452129 0.952129 0.547871 Rb\n0.952129 0.547871 0.452129 Rb\n0.547871 0.452129 0.952129 Rb\n0.816700 0.816700 0.816700 Rb\n0.683300 0.183300 0.316700 Rb\n0.183300 0.316700 0.683300 Rb\n0.316700 0.683300 0.183300 Rb\n0.335043 0.335043 0.335043 Mg\n0.164957 0.664957 0.835043 Mg\n0.664957 0.835043 0.164957 Mg\n0.835043 0.164957 0.664957 Mg\n0.598657 0.598657 0.598657 Mg\n0.901343 0.401343 0.098657 Mg\n0.401343 0.098657 0.901343 Mg\n0.098657 0.901343 0.401343 Mg\n0.018451 0.215903 0.375819 S\n0.481549 0.784097 0.875819 S\n0.981549 0.715903 0.124181 S\n0.375819 0.018451 0.215903 S\n0.518451 0.284097 0.624181 S\n0.875819 0.481549 0.784097 S\n0.124181 0.981549 0.715903 S\n0.624181 0.518451 0.284097 S\n0.215903 0.375819 0.018451 S\n0.715903 0.124181 0.981549 S\n0.284097 0.624181 0.518451 S\n0.784097 0.875819 0.481549 S\n0.010400 0.076342 0.331338 O\n0.489600 0.923658 0.831338 O\n0.989600 0.576342 0.168662 O\n0.331338 0.010400 0.076342 O\n0.510400 0.423658 0.668662 O\n0.831338 0.489600 0.923658 O\n0.168662 0.989600 0.576342 O\n0.668662 0.510400 0.423658 O\n0.076342 0.331338 0.010400 O\n0.576342 0.168662 0.989600 O\n0.423658 0.668662 0.510400 O\n0.923658 0.831338 0.489600 O\n0.266236 0.500408 0.441463 O\n0.233764 0.499592 0.941463 O\n0.733764 0.000408 0.058537 O\n0.441463 0.266236 0.500408 O\n0.766236 0.999592 0.558537 O\n0.941463 0.233764 0.499592 O\n0.058537 0.733764 0.000408 O\n0.558537 0.766236 0.999592 O\n0.500408 0.441463 0.266236 O\n0.000408 0.058537 0.733764 O\n0.999592 0.558537 0.766236 O\n0.499592 0.941463 0.233764 O\n0.041242 0.802585 0.226020 O\n0.458758 0.197415 0.726020 O\n0.958758 0.302585 0.273980 O\n0.226020 0.041242 0.802585 O\n0.541242 0.697415 0.773980 O\n0.726020 0.458758 0.197415 O\n0.273980 0.958758 0.302585 O\n0.773980 0.541242 0.697415 O\n0.802585 0.226020 0.041242 O\n0.302585 0.273980 0.958758 O\n0.697415 0.773980 0.541242 O\n0.197415 0.726020 0.458758 O\n0.157229 0.253847 0.400560 O\n0.342771 0.746153 0.900560 O\n0.842771 0.753847 0.099440 O\n0.400560 0.157229 0.253847 O\n0.657229 0.246153 0.599440 O\n0.900560 0.342771 0.746153 O\n0.099440 0.842771 0.753847 O\n0.599440 0.657229 0.246153 O\n0.253847 0.400560 0.157229 O\n0.753847 0.099440 0.842771 O\n0.246153 0.599440 0.657229 O\n0.746153 0.900560 0.342771 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
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"Mg",
"S",
"O"
],
"chemical_system": "Mg-O-Rb-S",
"density": 3.2252042334590736,
"density_atomic": 0.07268185306041702,
"volume": 1045.6530316697451,
"volume_molar": 8.285618082678873,
"formula_full": "Rb8 Mg8 S12 O48",
"formula_reduced": "Rb2Mg2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -488.27764915,
"energy_per_atom": -6.424705909868421,
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"energy_uncorrected": -455.30164915,
"band_gap": 5.6159,
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"updated_at": "2021-11-28T01:37:23.638000Z",
"spacegroup": 198
},
{
"id": "mp-1039609",
"created_at": "2022-09-04T14:42:56.919723Z",
"structure_string": "Rb1 Mg30 Sb1 O32\n1.0\n8.682073 0.000000 0.000000\n0.000000 8.682073 0.000000\n0.000000 0.000000 8.677330\nRb Mg Sb O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.245759 0.245759 0.000000 Mg\n0.754241 0.245759 0.000000 Mg\n0.245759 0.754241 0.000000 Mg\n0.754241 0.754241 0.000000 Mg\n0.248768 0.248768 0.500000 Mg\n0.751232 0.248768 0.500000 Mg\n0.248768 0.751232 0.500000 Mg\n0.751232 0.751232 0.500000 Mg\n0.251748 0.000000 0.253758 Mg\n0.748252 0.000000 0.253758 Mg\n0.243059 0.500000 0.256296 Mg\n0.756941 0.500000 0.256296 Mg\n0.251748 0.000000 0.746242 Mg\n0.748252 0.000000 0.746242 Mg\n0.243059 0.500000 0.743704 Mg\n0.756941 0.500000 0.743704 Mg\n0.000000 0.251748 0.253758 Mg\n0.500000 0.243059 0.256296 Mg\n0.000000 0.748252 0.253758 Mg\n0.500000 0.756941 0.256296 Mg\n0.000000 0.251748 0.746242 Mg\n0.500000 0.243059 0.743704 Mg\n0.000000 0.748252 0.746242 Mg\n0.500000 0.756941 0.743704 Mg\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.278982 O\n0.500000 0.000000 0.257259 O\n0.000000 0.500000 0.257259 O\n0.500000 0.500000 0.262659 O\n0.000000 0.000000 0.721018 O\n0.500000 0.000000 0.742741 O\n0.000000 0.500000 0.742741 O\n0.500000 0.500000 0.737341 O\n0.250696 0.250696 0.248971 O\n0.749304 0.250696 0.248971 O\n0.250696 0.749304 0.248971 O\n0.749304 0.749304 0.248971 O\n0.250696 0.250696 0.751029 O\n0.749304 0.250696 0.751029 O\n0.250696 0.749304 0.751029 O\n0.749304 0.749304 0.751029 O\n0.278141 0.000000 0.000000 O\n0.721859 0.000000 0.000000 O\n0.242077 0.500000 0.000000 O\n0.757923 0.500000 0.000000 O\n0.255706 0.000000 0.500000 O\n0.744294 0.000000 0.500000 O\n0.250447 0.500000 0.500000 O\n0.749553 0.500000 0.500000 O\n0.000000 0.278141 0.000000 O\n0.500000 0.242077 0.000000 O\n0.000000 0.721859 0.000000 O\n0.500000 0.757923 0.000000 O\n0.000000 0.255706 0.500000 O\n0.500000 0.250447 0.500000 O\n0.000000 0.744294 0.500000 O\n0.500000 0.749553 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
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"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Rb-Sb",
"density": 3.676988059754771,
"density_atomic": 0.097846882621847,
"volume": 654.0831785857043,
"volume_molar": 6.154657765923952,
"formula_full": "Rb1 Mg30 Sb1 O32",
"formula_reduced": "RbMg30SbO32",
"formula_anonymous": "ABC30D32",
"energy": -394.31921501,
"energy_per_atom": -6.16123773453125,
"energy_above_hull": null,
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"energy_uncorrected": -372.33521501,
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"updated_at": "2021-11-28T01:35:59.478000Z",
"spacegroup": 123
},
{
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