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{
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"results": [
{
"id": "mp-1222091",
"created_at": "2022-09-04T14:42:51.212452Z",
"structure_string": "Mg1 Ti2 Pb4 W1 O12\n1.0\n-2.835618 2.835618 8.067559\n2.835618 -2.835618 8.067559\n2.835618 2.835618 -8.067559\nMg Ti Pb W O\n1 2 4 1 12\ndirect\n0.500000 0.500000 0.000000 Mg\n0.742867 0.742867 0.000000 Ti\n0.257133 0.257133 0.000000 Ti\n0.127147 0.627147 0.500000 Pb\n0.372853 0.872853 0.500000 Pb\n0.627147 0.127147 0.500000 Pb\n0.872853 0.372853 0.500000 Pb\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 O\n0.758099 0.758099 0.516199 O\n0.000000 0.000000 0.500000 O\n0.241901 0.241901 0.483801 O\n0.629501 0.629501 0.000000 O\n0.877290 0.877290 0.000000 O\n0.122710 0.122710 0.000000 O\n0.370499 0.370499 0.000000 O\n0.500000 0.000000 0.000000 O\n0.758099 0.241901 0.000000 O\n0.000000 0.500000 0.000000 O\n0.241901 0.758099 0.000000 O\n",
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"elements": [
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],
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"density": 8.47734383029768,
"density_atomic": 0.07707834927053267,
"volume": 259.4762367030358,
"volume_molar": 7.813012106503798,
"formula_full": "Mg1 Ti2 Pb4 W1 O12",
"formula_reduced": "MgTi2Pb4WO12",
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"energy": -152.69490761999998,
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"updated_at": "2021-11-28T01:36:00.002000Z",
"spacegroup": 139
},
{
"id": "mp-1189016",
"created_at": "2022-09-04T14:46:09.839601Z",
"structure_string": "Mg2 U2 Pb4 O12\n1.0\n5.844562 0.000000 0.000000\n0.000000 5.874007 0.000000\n0.000000 5.750079 8.511779\nMg U Pb O\n2 2 4 12\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 U\n0.972453 0.281564 0.738742 Pb\n0.527547 0.281564 0.238742 Pb\n0.027547 0.718436 0.261258 Pb\n0.472453 0.718436 0.761258 Pb\n0.518776 0.303493 0.749398 O\n0.981224 0.303493 0.249398 O\n0.481224 0.696507 0.250602 O\n0.018776 0.696507 0.750602 O\n0.694810 0.712655 0.986121 O\n0.805190 0.712655 0.486121 O\n0.305190 0.287345 0.013879 O\n0.194810 0.287345 0.513879 O\n0.789090 0.176123 0.021751 O\n0.710910 0.176123 0.521751 O\n0.210910 0.823877 0.978249 O\n0.289090 0.823877 0.478249 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"U",
"Pb",
"O"
],
"chemical_system": "Mg-O-Pb-U",
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"density_atomic": 0.06844208429352162,
"volume": 292.2178686760581,
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"formula_full": "Mg2 U2 Pb4 O12",
"formula_reduced": "MgU(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy": -153.2178993,
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"band_gap": 1.3407,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.579000Z",
"spacegroup": 14
},
{
"id": "mp-557238",
"created_at": "2022-09-04T14:43:41.933228Z",
"structure_string": "Mg8 V16 Pb8 O56\n1.0\n15.279360 0.000000 0.000000\n0.000000 6.962384 0.000000\n0.000000 1.614980 11.597112\nMg V Pb O\n8 16 8 56\ndirect\n0.750922 0.011426 0.239773 Mg\n0.676783 0.375820 0.062800 Mg\n0.323217 0.624180 0.937200 Mg\n0.250922 0.988574 0.260227 Mg\n0.749078 0.011426 0.739773 Mg\n0.176783 0.624180 0.437200 Mg\n0.823217 0.375820 0.562800 Mg\n0.249078 0.988574 0.760227 Mg\n0.304162 0.491081 0.230700 V\n0.493369 0.629224 0.146117 V\n0.863023 0.156220 0.979796 V\n0.363023 0.843780 0.520204 V\n0.993369 0.370776 0.353883 V\n0.357189 0.111798 0.995344 V\n0.636977 0.156220 0.479796 V\n0.804162 0.508919 0.269300 V\n0.195838 0.491081 0.730700 V\n0.695838 0.508919 0.769300 V\n0.006631 0.629224 0.646117 V\n0.136977 0.843780 0.020204 V\n0.642811 0.888202 0.004656 V\n0.142811 0.111798 0.495344 V\n0.857189 0.888202 0.504656 V\n0.506631 0.370776 0.853883 V\n0.125364 0.340810 0.053776 Pb\n0.018689 0.109739 0.778197 Pb\n0.981311 0.890261 0.221803 Pb\n0.874636 0.659190 0.946224 Pb\n0.481311 0.109739 0.278197 Pb\n0.518689 0.890261 0.721803 Pb\n0.374636 0.340810 0.553776 Pb\n0.625364 0.659190 0.446224 Pb\n0.764335 0.700628 0.785213 O\n0.290996 0.310222 0.967060 O\n0.249566 0.674866 0.286714 O\n0.333241 0.937482 0.905734 O\n0.235665 0.299372 0.214787 O\n0.833241 0.062518 0.594266 O\n0.509106 0.733727 0.266444 O\n0.147238 0.018312 0.638810 O\n0.666759 0.062518 0.094266 O\n0.735665 0.700628 0.285213 O\n0.749566 0.325134 0.213286 O\n0.968000 0.244174 0.958348 O\n0.250434 0.674866 0.786714 O\n0.032000 0.755826 0.041652 O\n0.620449 0.420873 0.893664 O\n0.290372 0.648601 0.533758 O\n0.352762 0.018312 0.138810 O\n0.355279 0.985946 0.384767 O\n0.750434 0.325134 0.713286 O\n0.532000 0.244174 0.458348 O\n0.490894 0.266273 0.733556 O\n0.709628 0.351399 0.466242 O\n0.144721 0.985946 0.884767 O\n0.709004 0.689778 0.032940 O\n0.616494 0.601649 0.675443 O\n0.879551 0.420873 0.393664 O\n0.855279 0.014054 0.115233 O\n0.120449 0.579127 0.606336 O\n0.968994 0.799235 0.528630 O\n0.346882 0.988336 0.630782 O\n0.653118 0.011664 0.369218 O\n0.846882 0.011664 0.869218 O\n0.644721 0.014054 0.615233 O\n0.116494 0.398351 0.824557 O\n0.383506 0.398351 0.324557 O\n0.647238 0.981688 0.861190 O\n0.031006 0.200765 0.471370 O\n0.531006 0.799235 0.028630 O\n0.009106 0.266273 0.233556 O\n0.468000 0.755826 0.541652 O\n0.058701 0.570445 0.351374 O\n0.883506 0.601649 0.175443 O\n0.379551 0.579127 0.106336 O\n0.209004 0.310222 0.467060 O\n0.166759 0.937482 0.405734 O\n0.852762 0.981688 0.361190 O\n0.790372 0.351399 0.966242 O\n0.153118 0.988336 0.130782 O\n0.468994 0.200765 0.971370 O\n0.558701 0.429555 0.148626 O\n0.990894 0.733727 0.766444 O\n0.264335 0.299372 0.714787 O\n0.790996 0.689778 0.532940 O\n0.941299 0.429555 0.648626 O\n0.209628 0.648601 0.033758 O\n0.441299 0.570445 0.851374 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
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"V",
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"O"
],
"chemical_system": "Mg-O-Pb-V",
"density": 4.795793926871902,
"density_atomic": 0.07132958294152598,
"volume": 1233.7097228248197,
"volume_molar": 8.442697281626874,
"formula_full": "Mg8 V16 Pb8 O56",
"formula_reduced": "MgV2PbO7",
"formula_anonymous": "ABC2D7",
"energy": -677.40492864,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:18.163000Z",
"spacegroup": 14
},
{
"id": "mp-20216",
"created_at": "2022-09-04T14:41:54.356530Z",
"structure_string": "Mg4 Pb8 W4 O24\n1.0\n5.800998 0.000000 0.000000\n0.000000 8.052585 0.000000\n0.000000 0.000000 11.607547\nMg Pb W O\n4 8 4 24\ndirect\n0.244330 0.750000 0.379722 Mg\n0.744330 0.250000 0.120278 Mg\n0.755670 0.250000 0.620278 Mg\n0.255670 0.750000 0.879722 Mg\n0.708735 0.494701 0.354669 Pb\n0.208735 0.505299 0.145331 Pb\n0.291265 0.994701 0.645331 Pb\n0.791265 0.005299 0.854669 Pb\n0.291265 0.505299 0.645331 Pb\n0.791265 0.494701 0.854669 Pb\n0.708735 0.005299 0.354669 Pb\n0.208735 0.994701 0.145331 Pb\n0.746010 0.750000 0.116607 W\n0.246010 0.250000 0.383393 W\n0.253990 0.250000 0.883393 W\n0.753990 0.750000 0.616607 W\n0.962642 0.750000 0.751460 O\n0.462642 0.250000 0.748540 O\n0.037358 0.250000 0.248540 O\n0.537358 0.750000 0.251460 O\n0.477400 0.750000 0.735503 O\n0.977400 0.250000 0.764497 O\n0.522600 0.250000 0.264497 O\n0.022600 0.750000 0.235503 O\n0.995392 0.750000 0.510262 O\n0.495392 0.250000 0.989738 O\n0.004608 0.250000 0.489738 O\n0.504608 0.750000 0.010262 O\n0.514990 0.750000 0.501323 O\n0.014990 0.250000 0.998677 O\n0.485010 0.250000 0.498677 O\n0.985010 0.750000 0.001323 O\n0.770867 0.508343 0.133893 O\n0.270867 0.491657 0.366107 O\n0.229133 0.008343 0.866107 O\n0.729133 0.991657 0.633893 O\n0.229133 0.491657 0.866107 O\n0.729133 0.508343 0.633893 O\n0.770867 0.991657 0.133893 O\n0.270867 0.008343 0.366107 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 8.802020997887091,
"density_atomic": 0.07377029276262971,
"volume": 542.2236851995124,
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"formula_full": "Mg4 Pb8 W4 O24",
"formula_reduced": "MgPb2WO6",
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"energy": -292.30796917000004,
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"updated_at": "2021-11-28T01:35:34.778000Z",
"spacegroup": 62
},
{
"id": "mp-20056",
"created_at": "2022-09-04T14:42:15.734448Z",
"structure_string": "Mg1 Pb2 W1 O6\n1.0\n0.000000 4.042574 4.042574\n4.042574 0.000000 4.042574\n4.042574 4.042574 0.000000\nMg Pb W O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 W\n0.758311 0.241689 0.758311 O\n0.241689 0.241689 0.758311 O\n0.758311 0.758311 0.241689 O\n0.758311 0.241689 0.241689 O\n0.241689 0.758311 0.241689 O\n0.241689 0.758311 0.758311 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 9.03019153793083,
"density_atomic": 0.0756826044400132,
"volume": 132.1307594260462,
"volume_molar": 7.957100319893471,
"formula_full": "Mg1 Pb2 W1 O6",
"formula_reduced": "MgPb2WO6",
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"spacegroup": 225
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{
"id": "mp-1186600",
"created_at": "2022-09-04T14:44:26.447154Z",
"structure_string": "Pm1 Mg1 O3\n1.0\n3.895010 0.000000 0.000000\n0.000000 3.895010 0.000000\n0.000000 0.000000 3.895010\nPm Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pm\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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"formula_full": "Pm1 Mg1 O3",
"formula_reduced": "PmMgO3",
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"updated_at": "2021-11-28T01:36:43Z",
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{
"id": "mp-975103",
"created_at": "2022-09-04T14:47:37.531319Z",
"structure_string": "Rb4 Mg4 P4 O16\n1.0\n5.472361 0.000000 0.000000\n0.000000 8.779675 0.000000\n0.000000 0.000000 9.378916\nRb Mg P O\n4 4 4 16\ndirect\n0.232425 0.496747 0.222015 Rb\n0.232425 0.996747 0.277985 Rb\n0.732425 0.003253 0.722015 Rb\n0.732425 0.503253 0.777985 Rb\n0.248215 0.312983 0.585163 Mg\n0.248215 0.812983 0.914837 Mg\n0.748215 0.187017 0.085163 Mg\n0.748215 0.687017 0.414837 Mg\n0.245827 0.709203 0.576804 P\n0.245827 0.209203 0.923196 P\n0.745827 0.790797 0.076804 P\n0.745827 0.290797 0.423196 P\n0.986070 0.776291 0.550774 O\n0.986070 0.276291 0.949226 O\n0.229525 0.533475 0.578118 O\n0.229525 0.033475 0.921882 O\n0.351927 0.765031 0.720928 O\n0.351927 0.265031 0.779072 O\n0.418212 0.262887 0.045250 O\n0.418212 0.762887 0.454750 O\n0.486070 0.723709 0.050774 O\n0.486070 0.223709 0.449226 O\n0.729525 0.966525 0.078118 O\n0.729525 0.466525 0.421882 O\n0.851927 0.734969 0.220928 O\n0.851927 0.234969 0.279072 O\n0.918212 0.237113 0.545250 O\n0.918212 0.737113 0.954750 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Mg-O-P-Rb",
"density": 3.017969114420652,
"density_atomic": 0.06213727537617476,
"volume": 450.6151875905395,
"volume_molar": 9.691671743800123,
"formula_full": "Rb4 Mg4 P4 O16",
"formula_reduced": "RbMgPO4",
"formula_anonymous": "ABCD4",
"energy": -192.47249566,
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"spacegroup": 33
},
{
"id": "mp-1193749",
"created_at": "2022-09-04T14:39:59.087534Z",
"structure_string": "Rb4 Mg4 P4 O16\n1.0\n5.516733 0.000000 0.000000\n0.000000 8.920225 0.000000\n0.000000 0.000000 9.927100\nRb Mg P O\n4 4 4 16\ndirect\n0.250000 0.001054 0.681072 Rb\n0.250000 0.501054 0.818928 Rb\n0.750000 0.998946 0.318928 Rb\n0.750000 0.498946 0.181072 Rb\n0.250000 0.325304 0.418468 Mg\n0.250000 0.825304 0.081532 Mg\n0.750000 0.674696 0.581532 Mg\n0.750000 0.174696 0.918468 Mg\n0.750000 0.287389 0.585100 P\n0.750000 0.787389 0.914900 P\n0.250000 0.712611 0.414900 P\n0.250000 0.212611 0.085100 P\n0.750000 0.223529 0.729639 O\n0.750000 0.723529 0.770361 O\n0.250000 0.776471 0.270361 O\n0.250000 0.276471 0.229639 O\n0.750000 0.459870 0.588481 O\n0.750000 0.959870 0.911519 O\n0.250000 0.540130 0.411519 O\n0.250000 0.040130 0.088481 O\n0.978378 0.228563 0.509682 O\n0.521622 0.728563 0.990318 O\n0.478378 0.771437 0.490318 O\n0.021622 0.271437 0.009682 O\n0.021622 0.771437 0.490318 O\n0.478378 0.271437 0.009682 O\n0.521622 0.228563 0.509682 O\n0.978378 0.728563 0.990318 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"P",
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],
"chemical_system": "Mg-O-P-Rb",
"density": 2.78381547671324,
"density_atomic": 0.05731626213351553,
"volume": 488.517550826593,
"volume_molar": 10.506862338600705,
"formula_full": "Rb4 Mg4 P4 O16",
"formula_reduced": "RbMgPO4",
"formula_anonymous": "ABCD4",
"energy": -192.33041905,
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"updated_at": "2021-11-28T01:34:44.719000Z",
"spacegroup": 62
},
{
"id": "mp-1020616",
"created_at": "2022-09-04T14:39:13.746417Z",
"structure_string": "Rb12 Mg12 P12 O48\n1.0\n5.400831 0.000000 0.000000\n0.000000 9.453836 0.000000\n0.000000 0.000000 26.965964\nRb Mg P O\n12 12 12 48\ndirect\n0.247685 0.201736 0.501020 Rb\n0.747685 0.798264 0.498980 Rb\n0.747685 0.701736 0.998980 Rb\n0.247685 0.298264 0.001020 Rb\n0.239621 0.309648 0.665013 Rb\n0.739621 0.690352 0.334987 Rb\n0.739621 0.809648 0.834987 Rb\n0.239621 0.190352 0.165013 Rb\n0.713930 0.689845 0.674073 Rb\n0.213930 0.310155 0.325927 Rb\n0.213930 0.189845 0.825927 Rb\n0.713930 0.810155 0.174073 Rb\n0.234357 0.913296 0.600660 Mg\n0.734357 0.086704 0.399340 Mg\n0.734357 0.413296 0.899340 Mg\n0.234357 0.586704 0.100660 Mg\n0.247214 0.594120 0.781947 Mg\n0.747214 0.405880 0.218053 Mg\n0.747214 0.094120 0.718053 Mg\n0.247214 0.905880 0.281947 Mg\n0.765666 0.442347 0.551981 Mg\n0.265666 0.557653 0.448019 Mg\n0.265666 0.942347 0.948019 Mg\n0.765666 0.057653 0.051981 Mg\n0.746788 0.103066 0.591811 P\n0.246788 0.896934 0.408189 P\n0.246788 0.603066 0.908189 P\n0.746788 0.396934 0.091811 P\n0.741405 0.410462 0.773097 P\n0.241405 0.589538 0.226903 P\n0.241405 0.910462 0.726903 P\n0.741405 0.089538 0.273097 P\n0.220088 0.573888 0.569581 P\n0.720088 0.426112 0.430419 P\n0.720088 0.073888 0.930419 P\n0.220088 0.926112 0.069581 P\n0.805964 0.238695 0.562052 O\n0.305964 0.761305 0.437948 O\n0.305964 0.738695 0.937948 O\n0.805964 0.261305 0.062052 O\n0.836108 0.280271 0.743842 O\n0.336108 0.719729 0.256158 O\n0.336108 0.780271 0.756158 O\n0.836108 0.219729 0.243842 O\n0.289176 0.732318 0.567668 O\n0.789176 0.267682 0.432332 O\n0.789176 0.232318 0.932332 O\n0.289176 0.767682 0.067668 O\n0.785267 0.130701 0.647906 O\n0.285267 0.869299 0.352094 O\n0.285267 0.630701 0.852094 O\n0.785267 0.369299 0.147906 O\n0.744040 0.372743 0.828939 O\n0.244040 0.627257 0.171061 O\n0.244040 0.872743 0.671061 O\n0.744040 0.127257 0.328939 O\n0.122260 0.523671 0.517282 O\n0.622260 0.476329 0.482718 O\n0.622260 0.023671 0.982718 O\n0.122260 0.976329 0.017282 O\n0.922616 0.982893 0.574290 O\n0.422616 0.017107 0.425710 O\n0.422616 0.482893 0.925710 O\n0.922616 0.517107 0.074290 O\n0.912011 0.539814 0.762537 O\n0.412011 0.460186 0.237463 O\n0.412011 0.039814 0.737463 O\n0.912011 0.960186 0.262537 O\n0.448093 0.487345 0.586456 O\n0.948093 0.512655 0.413544 O\n0.948093 0.987345 0.913544 O\n0.448093 0.012655 0.086456 O\n0.475139 0.057299 0.581850 O\n0.975139 0.942701 0.418150 O\n0.975139 0.557299 0.918150 O\n0.475139 0.442701 0.081850 O\n0.473721 0.448675 0.756111 O\n0.973721 0.551325 0.243889 O\n0.973721 0.948675 0.743889 O\n0.473721 0.051325 0.256111 O\n0.994550 0.541947 0.603800 O\n0.494550 0.458053 0.396200 O\n0.494550 0.041947 0.896200 O\n0.994550 0.958053 0.103800 O\n",
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"elements": [
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"P",
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],
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"density": 2.963174778861311,
"density_atomic": 0.06100910918605823,
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"formula_full": "Rb12 Mg12 P12 O48",
"formula_reduced": "RbMgPO4",
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"updated_at": "2021-11-28T01:34:33.355000Z",
"spacegroup": 33
},
{
"id": "mp-561031",
"created_at": "2022-09-04T14:40:33.460453Z",
"structure_string": "Rb16 Mg8 P16 W8 O80\n1.0\n10.007430 0.000000 0.000000\n0.000000 12.857865 0.000000\n0.000000 0.000000 15.686491\nRb Mg P W O\n16 8 16 8 80\ndirect\n0.605712 0.867231 0.107693 Rb\n0.107644 0.173347 0.345715 Rb\n0.392356 0.826653 0.845715 Rb\n0.892356 0.673347 0.154285 Rb\n0.607644 0.173347 0.154285 Rb\n0.394288 0.367231 0.392307 Rb\n0.894288 0.367231 0.107693 Rb\n0.605712 0.632769 0.607693 Rb\n0.107644 0.326653 0.845715 Rb\n0.105712 0.867231 0.392307 Rb\n0.392356 0.673347 0.345715 Rb\n0.894288 0.132769 0.607693 Rb\n0.394288 0.132769 0.892307 Rb\n0.607644 0.326653 0.654285 Rb\n0.105712 0.632769 0.892307 Rb\n0.892356 0.826653 0.654285 Rb\n0.000295 0.874357 0.002393 Mg\n0.999705 0.125643 0.997607 Mg\n0.000295 0.625643 0.502393 Mg\n0.999705 0.374357 0.497607 Mg\n0.500295 0.874357 0.497607 Mg\n0.499705 0.374357 0.002393 Mg\n0.500295 0.625643 0.997607 Mg\n0.499705 0.125643 0.502393 Mg\n0.076556 0.995113 0.834574 P\n0.423444 0.004887 0.334574 P\n0.076556 0.504887 0.334574 P\n0.257887 0.744175 0.592387 P\n0.576556 0.995113 0.665426 P\n0.242113 0.255825 0.092387 P\n0.757887 0.744175 0.907613 P\n0.742113 0.255825 0.407613 P\n0.923444 0.495113 0.665426 P\n0.423444 0.495113 0.834574 P\n0.257887 0.755825 0.092387 P\n0.757887 0.755825 0.407613 P\n0.242113 0.244175 0.592387 P\n0.742113 0.244175 0.907613 P\n0.576556 0.504887 0.165426 P\n0.923444 0.004887 0.165426 P\n0.749436 0.492569 0.857378 W\n0.750564 0.992569 0.857378 W\n0.250564 0.992569 0.642622 W\n0.749436 0.007431 0.357378 W\n0.249436 0.492569 0.642622 W\n0.750564 0.507431 0.357378 W\n0.249436 0.007431 0.142622 W\n0.250564 0.507431 0.142622 W\n0.728937 0.352858 0.346252 O\n0.359968 0.500574 0.049156 O\n0.591998 0.605439 0.113202 O\n0.591253 0.977370 0.906624 O\n0.438690 0.501420 0.213529 O\n0.091998 0.605439 0.386798 O\n0.561310 0.001420 0.286471 O\n0.140032 0.000574 0.049156 O\n0.091253 0.522630 0.093376 O\n0.377331 0.259232 0.048331 O\n0.640032 0.499426 0.950844 O\n0.938690 0.501420 0.286471 O\n0.623761 0.248516 0.468441 O\n0.122669 0.740768 0.548331 O\n0.376239 0.748516 0.031559 O\n0.098809 0.096099 0.885323 O\n0.309908 0.491420 0.764976 O\n0.266604 0.662780 0.158170 O\n0.623761 0.251484 0.968441 O\n0.766604 0.662780 0.341830 O\n0.377331 0.240768 0.548331 O\n0.809908 0.008580 0.235024 O\n0.376239 0.751484 0.531559 O\n0.401191 0.596099 0.885323 O\n0.271063 0.647142 0.653748 O\n0.401191 0.903901 0.385323 O\n0.233396 0.162780 0.158170 O\n0.771063 0.852858 0.346252 O\n0.438690 0.998580 0.713529 O\n0.123761 0.251484 0.531559 O\n0.271063 0.852858 0.153748 O\n0.876239 0.748516 0.468441 O\n0.859968 0.999426 0.950844 O\n0.733396 0.162780 0.341830 O\n0.591998 0.894561 0.613202 O\n0.908747 0.477370 0.906624 O\n0.408002 0.394561 0.886798 O\n0.901191 0.596099 0.614677 O\n0.877331 0.259232 0.451669 O\n0.309908 0.008580 0.264976 O\n0.771063 0.647142 0.846252 O\n0.228937 0.352858 0.153748 O\n0.809908 0.491420 0.735024 O\n0.859968 0.500574 0.450844 O\n0.877331 0.240768 0.951669 O\n0.190092 0.508580 0.264976 O\n0.938690 0.998580 0.786471 O\n0.091998 0.894561 0.886798 O\n0.233396 0.337220 0.658170 O\n0.728937 0.147142 0.846252 O\n0.266604 0.837220 0.658170 O\n0.640032 0.000574 0.450844 O\n0.908002 0.394561 0.613202 O\n0.622669 0.740768 0.951669 O\n0.733396 0.337220 0.841830 O\n0.228937 0.147142 0.653748 O\n0.408747 0.477370 0.593376 O\n0.622669 0.759232 0.451669 O\n0.908002 0.105439 0.113202 O\n0.123761 0.248516 0.031559 O\n0.908747 0.022630 0.406624 O\n0.359968 0.999426 0.549156 O\n0.061310 0.001420 0.213529 O\n0.408747 0.022630 0.093376 O\n0.766604 0.837220 0.841830 O\n0.561310 0.498580 0.786471 O\n0.408002 0.105439 0.386798 O\n0.690092 0.508580 0.235024 O\n0.122669 0.759232 0.048331 O\n0.061310 0.498580 0.713529 O\n0.876239 0.751484 0.968441 O\n0.598809 0.403901 0.114677 O\n0.140032 0.499426 0.549156 O\n0.091253 0.977370 0.593376 O\n0.098809 0.403901 0.385323 O\n0.690092 0.991420 0.735024 O\n0.598809 0.096099 0.614677 O\n0.591253 0.522630 0.406624 O\n0.901191 0.903901 0.114677 O\n0.190092 0.991420 0.764976 O\n",
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"elements": [
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],
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"formula_full": "Rb16 Mg8 P16 W8 O80",
"formula_reduced": "Rb2MgP2WO10",
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"updated_at": "2021-11-28T01:35:00.588000Z",
"spacegroup": 61
},
{
"id": "mp-1209742",
"created_at": "2022-09-04T14:41:09.931054Z",
"structure_string": "Pr4 Mg2 Pt2 O12\n1.0\n5.770036 0.000000 0.000000\n0.000000 5.547865 0.000000\n0.000000 5.521520 7.931995\nPr Mg Pt O\n4 2 2 12\ndirect\n0.441094 0.235035 0.749525 Pr\n0.558906 0.764965 0.250475 Pr\n0.941094 0.764965 0.750475 Pr\n0.058906 0.235035 0.249525 Pr\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.029724 0.343702 0.751939 O\n0.970276 0.656298 0.248061 O\n0.529724 0.656298 0.748061 O\n0.470276 0.343702 0.251939 O\n0.706231 0.853922 0.948496 O\n0.293769 0.146078 0.051504 O\n0.206231 0.146078 0.551504 O\n0.793769 0.853922 0.448496 O\n0.202119 0.752648 0.950286 O\n0.797881 0.247352 0.049714 O\n0.702119 0.247352 0.549714 O\n0.297881 0.752648 0.450286 O\n",
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"Pt",
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],
"chemical_system": "Mg-O-Pr-Pt",
"density": 7.811106552679921,
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"volume": 253.9141122356426,
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"formula_full": "Pr4 Mg2 Pt2 O12",
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"spacegroup": 14
},
{
"id": "mp-1233364",
"created_at": "2022-09-04T14:39:39.718031Z",
"structure_string": "Rb2 Pr2 Mg1 W4 O16\n1.0\n4.351573 5.618224 -3.560418\n4.351573 -5.618224 -3.560418\n0.097815 0.000000 -7.662221\nRb Pr Mg W O\n2 2 1 4 16\ndirect\n0.880606 0.119394 0.750000 Rb\n0.196443 0.803557 0.250000 Rb\n0.219460 0.780540 0.750000 Pr\n0.759678 0.240322 0.250000 Pr\n0.620958 0.379042 0.750000 Mg\n0.279107 0.322244 0.706151 W\n0.690231 0.701933 0.292772 W\n0.677756 0.720893 0.793849 W\n0.298067 0.309769 0.207227 W\n0.348252 0.246762 0.957970 O\n0.615942 0.743055 0.075089 O\n0.753238 0.651748 0.542030 O\n0.256945 0.384058 0.424910 O\n0.617483 0.951098 0.637141 O\n0.348677 0.077345 0.367756 O\n0.048902 0.382517 0.862859 O\n0.922655 0.651323 0.132244 O\n0.408230 0.632042 0.531453 O\n0.593818 0.379269 0.497047 O\n0.367958 0.591770 0.968547 O\n0.620731 0.406182 0.002953 O\n0.223535 0.057462 0.795548 O\n0.754733 0.962609 0.198087 O\n0.942538 0.776465 0.704452 O\n0.037391 0.245267 0.301913 O\n",
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"volume_molar": 8.930604490067815,
"formula_full": "Rb2 Pr2 Mg1 W4 O16",
"formula_reduced": "Rb2Pr2Mg(WO4)4",
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"energy": -208.03818705,
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"updated_at": "2021-11-28T01:34:37.889000Z",
"spacegroup": 5
}
]
}