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{
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"results": [
{
"id": "mp-775340",
"created_at": "2022-09-04T14:40:13.324085Z",
"structure_string": "Li4 Cr2 Si12 O30\n1.0\n-3.894533 4.969105 7.403925\n3.894533 -4.969105 7.403925\n3.894533 4.969105 -7.403925\nLi Cr Si O\n4 2 12 30\ndirect\n0.244148 0.244148 0.500000 Li\n0.244148 0.744148 0.000000 Li\n0.755852 0.755852 0.500000 Li\n0.755852 0.255852 0.000000 Li\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.878545 0.651835 0.226711 Si\n0.074876 0.848165 0.226711 Si\n0.389911 0.545150 0.229750 Si\n0.389911 0.160162 0.844762 Si\n0.184600 0.954850 0.844762 Si\n0.184600 0.339838 0.229750 Si\n0.610089 0.839838 0.155238 Si\n0.610089 0.454850 0.770250 Si\n0.815400 0.045150 0.155238 Si\n0.815400 0.660162 0.770250 Si\n0.121455 0.348165 0.773289 Si\n0.925124 0.151835 0.773289 Si\n0.950557 0.250000 0.700557 O\n0.738500 0.067711 0.670789 O\n0.103078 0.432289 0.670789 O\n0.768114 0.810754 0.292776 O\n0.768114 0.475338 0.957360 O\n0.473972 0.370511 0.103461 O\n0.982022 0.689246 0.957360 O\n0.982022 0.024662 0.292776 O\n0.232950 0.129489 0.103461 O\n0.157446 0.392701 0.408082 O\n0.157446 0.749364 0.764745 O\n0.515381 0.750636 0.408082 O\n0.515381 0.107299 0.764745 O\n0.325888 0.990836 0.816723 O\n0.325888 0.509164 0.335052 O\n0.674112 0.009164 0.183277 O\n0.674112 0.490836 0.664948 O\n0.842554 0.250636 0.235255 O\n0.842554 0.607299 0.591918 O\n0.484619 0.249364 0.591918 O\n0.484619 0.892701 0.235255 O\n0.526028 0.629489 0.896539 O\n0.231886 0.524662 0.042640 O\n0.231886 0.189246 0.707224 O\n0.767050 0.870511 0.896539 O\n0.017978 0.310754 0.042640 O\n0.017978 0.975338 0.707224 O\n0.261500 0.932289 0.329211 O\n0.896922 0.567711 0.329211 O\n0.049443 0.750000 0.299443 O\n",
"nsites": 48,
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"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.7488549409800997,
"density_atomic": 0.08375016539177695,
"volume": 573.1331965191905,
"volume_molar": 7.190601632640224,
"formula_full": "Li4 Cr2 Si12 O30",
"formula_reduced": "Li2Cr(Si2O5)3",
"formula_anonymous": "AB2C6D15",
"energy": -381.84940651,
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"energy_uncorrected": -357.24140651,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:49.620000Z",
"spacegroup": 74
},
{
"id": "mp-779313",
"created_at": "2022-09-04T14:40:13.335838Z",
"structure_string": "Li7 Mn8 B8 O24\n1.0\n-5.243307 0.000000 0.000000\n-0.111762 -9.128019 0.000000\n2.464923 4.126715 10.497063\nLi Mn B O\n7 8 8 24\ndirect\n0.968206 0.966707 0.090584 Li\n0.725418 0.755737 0.331859 Li\n0.477262 0.458938 0.067549 Li\n0.701984 0.712262 0.583145 Li\n0.238978 0.264168 0.347913 Li\n0.199026 0.211090 0.586664 Li\n0.020807 0.992967 0.837768 Li\n0.750064 0.434336 0.367249 Mn\n0.724109 0.060738 0.622168 Mn\n0.469629 0.146044 0.115454 Mn\n0.527696 0.837105 0.868047 Mn\n0.259215 0.939342 0.373016 Mn\n0.000718 0.646331 0.124976 Mn\n0.228465 0.553488 0.627695 Mn\n0.013751 0.350923 0.863008 Mn\n0.968576 0.318130 0.129303 B\n0.761636 0.106579 0.373735 B\n0.483160 0.813740 0.126978 B\n0.720033 0.386236 0.613893 B\n0.523993 0.180913 0.873781 B\n0.260801 0.605093 0.368614 B\n0.231181 0.888025 0.626293 B\n0.048670 0.699197 0.890821 B\n0.976932 0.886523 0.641595 O\n0.721606 0.348326 0.156324 O\n0.896080 0.288975 0.657148 O\n0.591998 0.916810 0.085164 O\n0.611428 0.686084 0.141003 O\n0.820434 0.502334 0.579357 O\n0.962145 0.593840 0.941954 O\n0.931462 0.838557 0.903867 O\n0.664990 0.986863 0.405782 O\n0.591908 0.204079 0.330675 O\n0.761047 0.150951 0.833634 O\n0.527051 0.632652 0.388787 O\n0.458248 0.364771 0.604185 O\n0.235614 0.842461 0.159622 O\n0.402657 0.781945 0.656975 O\n0.318867 0.996011 0.579938 O\n0.093086 0.422301 0.090616 O\n0.090854 0.188436 0.141514 O\n0.410495 0.319624 0.887056 O\n0.405385 0.066225 0.904982 O\n0.154357 0.492047 0.400980 O\n0.090102 0.701099 0.316514 O\n0.250903 0.657066 0.830318 O\n0.028604 0.128178 0.388468 O\n",
"nsites": 47,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1682615083211063,
"density_atomic": 0.09355095646173822,
"volume": 502.3999943733629,
"volume_molar": 6.437284008382126,
"formula_full": "Li7 Mn8 B8 O24",
"formula_reduced": "Li7Mn8(BO3)8",
"formula_anonymous": "A7B8C8D24",
"energy": -375.87826036,
"energy_per_atom": -7.997409794893617,
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"updated_at": "2021-11-28T01:34:51.136000Z",
"spacegroup": 1
},
{
"id": "mp-774811",
"created_at": "2022-09-04T14:40:13.419211Z",
"structure_string": "Na3 Mn2 P2 C2 O14\n1.0\n5.186673 0.000000 0.000000\n-0.043277 6.583043 0.000000\n-0.225980 -0.179579 8.919577\nNa Mn P C O\n3 2 2 2 14\ndirect\n0.241219 0.480697 0.756828 Na\n0.756740 0.507210 0.241549 Na\n0.753801 0.989726 0.239028 Na\n0.788686 0.762627 0.656827 Mn\n0.217604 0.249777 0.349752 Mn\n0.711889 0.253291 0.576732 P\n0.286462 0.750415 0.427786 P\n0.731205 0.747875 0.925432 C\n0.268323 0.247337 0.075094 C\n0.288861 0.253246 0.938242 O\n0.955851 0.753868 0.861063 O\n0.539429 0.749966 0.826391 O\n0.777591 0.067246 0.670115 O\n0.786727 0.443224 0.673451 O\n0.416507 0.263658 0.536273 O\n0.141173 0.744098 0.575740 O\n0.854605 0.251121 0.424516 O\n0.585377 0.751536 0.462653 O\n0.218846 0.563023 0.325618 O\n0.215276 0.936708 0.332495 O\n0.464949 0.245433 0.173571 O\n0.046401 0.244093 0.146072 O\n0.703900 0.741722 0.063914 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.6651750382755237,
"density_atomic": 0.07552104954871579,
"volume": 304.5508522119196,
"volume_molar": 7.9741221765136405,
"formula_full": "Na3 Mn2 P2 C2 O14",
"formula_reduced": "Na3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy": -172.35871114,
"energy_per_atom": -7.493857006086956,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:48.697000Z",
"spacegroup": 1
},
{
"id": "mp-505228",
"created_at": "2022-09-04T14:40:13.313344Z",
"structure_string": "Sr10 Nb10 O34\n1.0\n4.048788 0.000000 0.000000\n0.000000 5.751676 0.000000\n0.000000 0.000000 33.151881\nSr Nb O\n10 10 34\ndirect\n0.000000 0.432952 0.782996 Sr\n0.000000 0.567048 0.217004 Sr\n0.500000 0.067048 0.282996 Sr\n0.500000 0.932952 0.717004 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.502312 0.590117 Sr\n0.500000 0.497688 0.409883 Sr\n0.000000 0.997688 0.090117 Sr\n0.000000 0.002312 0.909883 Sr\n0.000000 0.500000 0.500000 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.465820 0.676780 Nb\n0.000000 0.534180 0.323220 Nb\n0.500000 0.034180 0.176780 Nb\n0.500000 0.965820 0.823220 Nb\n0.000000 0.994790 0.590050 Nb\n0.000000 0.005210 0.409950 Nb\n0.500000 0.505210 0.090050 Nb\n0.500000 0.494790 0.909950 Nb\n0.000000 0.780917 0.463713 O\n0.000000 0.219083 0.536287 O\n0.500000 0.719083 0.963713 O\n0.500000 0.280917 0.036287 O\n0.000000 0.722440 0.548138 O\n0.000000 0.277560 0.451862 O\n0.500000 0.777560 0.048138 O\n0.500000 0.222440 0.951862 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.701726 0.791126 O\n0.500000 0.298274 0.208874 O\n0.000000 0.798274 0.291126 O\n0.000000 0.201726 0.708874 O\n0.500000 0.793992 0.879798 O\n0.500000 0.206008 0.120202 O\n0.000000 0.706008 0.379798 O\n0.000000 0.293992 0.620202 O\n0.500000 0.275424 0.867957 O\n0.500000 0.724576 0.132043 O\n0.000000 0.224576 0.367957 O\n0.000000 0.775424 0.632043 O\n0.000000 0.683156 0.720183 O\n0.000000 0.316844 0.279817 O\n0.500000 0.816844 0.220183 O\n0.500000 0.183156 0.779817 O\n0.500000 0.498450 0.669149 O\n0.500000 0.501550 0.330851 O\n0.000000 0.001550 0.169149 O\n0.000000 0.998450 0.830851 O\n0.500000 0.009049 0.583356 O\n0.500000 0.990951 0.416644 O\n0.000000 0.490951 0.083356 O\n0.000000 0.509049 0.916644 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"Nb",
"O"
],
"chemical_system": "Nb-O-Sr",
"density": 5.053002199751779,
"density_atomic": 0.06994652354764862,
"volume": 772.0183543248492,
"volume_molar": 8.609635553792216,
"formula_full": "Sr10 Nb10 O34",
"formula_reduced": "Sr5Nb5O17",
"formula_anonymous": "A5B5C17",
"energy": -463.3267626700001,
"energy_per_atom": -8.580125234629632,
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"updated_at": "2021-11-28T01:34:50.089000Z",
"spacegroup": 58
},
{
"id": "mp-10447",
"created_at": "2022-09-04T14:40:13.314202Z",
"structure_string": "Rb8 Te4 Mo8 P8 O56\n1.0\n9.244815 0.000000 0.000000\n0.000000 11.524274 0.000000\n0.000000 0.000000 12.683044\nRb Te Mo P O\n8 4 8 8 56\ndirect\n0.031347 0.217484 0.683175 Rb\n0.468653 0.782516 0.183175 Rb\n0.468653 0.717484 0.816825 Rb\n0.968653 0.717484 0.683175 Rb\n0.968653 0.782516 0.316825 Rb\n0.531347 0.217484 0.816825 Rb\n0.531347 0.282516 0.183175 Rb\n0.031347 0.282516 0.316825 Rb\n0.127973 0.250000 0.000000 Te\n0.372027 0.750000 0.500000 Te\n0.872027 0.750000 0.000000 Te\n0.627973 0.250000 0.500000 Te\n0.252081 0.981561 0.879026 Mo\n0.752081 0.518439 0.379026 Mo\n0.752081 0.981561 0.620974 Mo\n0.747919 0.018439 0.120974 Mo\n0.252081 0.518439 0.120974 Mo\n0.247919 0.018439 0.379026 Mo\n0.747919 0.481561 0.879026 Mo\n0.247919 0.481561 0.620974 Mo\n0.634952 0.997639 0.367691 P\n0.634952 0.502361 0.632309 P\n0.865048 0.497639 0.132309 P\n0.865048 0.002361 0.867691 P\n0.365048 0.002361 0.632309 P\n0.365048 0.497639 0.367691 P\n0.134952 0.502361 0.867691 P\n0.134952 0.997639 0.132309 P\n0.642537 0.132366 0.368217 O\n0.642537 0.367634 0.631783 O\n0.857463 0.632366 0.131783 O\n0.857463 0.867634 0.868217 O\n0.357463 0.867634 0.631783 O\n0.357463 0.632366 0.368217 O\n0.142537 0.367634 0.868217 O\n0.142537 0.132366 0.131783 O\n0.520852 0.451533 0.362362 O\n0.520852 0.048467 0.637638 O\n0.979148 0.951533 0.137638 O\n0.979148 0.548467 0.862362 O\n0.479148 0.548467 0.637638 O\n0.479148 0.951533 0.362362 O\n0.020852 0.048467 0.862362 O\n0.020852 0.451533 0.137638 O\n0.709060 0.553319 0.532584 O\n0.709060 0.946681 0.467416 O\n0.790940 0.053319 0.967416 O\n0.790940 0.446681 0.032584 O\n0.312247 0.346600 0.661749 O\n0.290940 0.446681 0.467416 O\n0.209060 0.946681 0.032584 O\n0.209060 0.553319 0.967416 O\n0.687753 0.653400 0.338251 O\n0.687753 0.846600 0.661749 O\n0.812247 0.153400 0.161749 O\n0.812247 0.346600 0.838251 O\n0.263831 0.342901 0.072543 O\n0.263831 0.157099 0.927457 O\n0.236169 0.842901 0.427457 O\n0.236169 0.657099 0.572543 O\n0.736169 0.657099 0.927457 O\n0.736169 0.842901 0.072543 O\n0.763831 0.157099 0.572543 O\n0.763831 0.342901 0.427457 O\n0.275867 0.451910 0.271272 O\n0.275867 0.048090 0.728728 O\n0.224133 0.951910 0.228728 O\n0.224133 0.548090 0.771272 O\n0.724133 0.548090 0.728728 O\n0.724133 0.951910 0.271272 O\n0.775867 0.048090 0.771272 O\n0.775867 0.451910 0.228728 O\n0.436870 0.542803 0.110606 O\n0.436870 0.957197 0.889394 O\n0.063130 0.042803 0.389394 O\n0.063130 0.457197 0.610606 O\n0.563130 0.457197 0.889394 O\n0.563130 0.042803 0.110606 O\n0.936870 0.957197 0.610606 O\n0.936870 0.542803 0.389394 O\n0.187753 0.653400 0.161749 O\n0.187753 0.846600 0.838251 O\n0.312247 0.153400 0.338251 O\n0.290940 0.053319 0.532584 O\n",
"nsites": 84,
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"elements": [
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"Te",
"Mo",
"P",
"O"
],
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"density": 3.8162251501701348,
"density_atomic": 0.06216472068720138,
"volume": 1351.248731940239,
"volume_molar": 9.687392935137652,
"formula_full": "Rb8 Te4 Mo8 P8 O56",
"formula_reduced": "Rb2TeMo2(PO7)2",
"formula_anonymous": "AB2C2D2E14",
"energy": -617.75194616,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:50.898000Z",
"spacegroup": 60
},
{
"id": "mp-1208926",
"created_at": "2022-09-04T14:40:13.327483Z",
"structure_string": "Sm4 Ga18 Ir6\n1.0\n3.819382 -6.601147 0.000000\n3.819382 6.601147 0.000000\n0.000000 0.000000 9.585695\nSm Ga Ir\n4 18 6\ndirect\n0.997028 0.667928 0.250000 Sm\n0.002972 0.332072 0.750000 Sm\n0.667928 0.997028 0.250000 Sm\n0.332072 0.002972 0.750000 Sm\n0.127738 0.127737 0.250000 Ga\n0.872263 0.872262 0.750000 Ga\n0.000643 0.333853 0.078443 Ga\n0.999357 0.666147 0.921557 Ga\n0.999357 0.666147 0.578443 Ga\n0.333853 0.000643 0.421557 Ga\n0.000643 0.333853 0.421557 Ga\n0.666147 0.999357 0.578443 Ga\n0.666147 0.999357 0.921557 Ga\n0.333853 0.000643 0.078443 Ga\n0.333775 0.333775 0.561099 Ga\n0.666225 0.666225 0.438901 Ga\n0.666225 0.666225 0.061099 Ga\n0.333775 0.333775 0.938901 Ga\n0.338137 0.544364 0.250000 Ga\n0.661863 0.455636 0.750000 Ga\n0.544364 0.338137 0.250000 Ga\n0.455636 0.661863 0.750000 Ga\n0.671031 0.328969 0.000000 Ir\n0.328969 0.671031 0.000000 Ir\n0.328969 0.671031 0.500000 Ir\n0.671031 0.328969 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
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"elements": [
"Sm",
"Ga",
"Ir"
],
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"density": 10.33985106398421,
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"volume": 483.3548750370455,
"volume_molar": 10.395825337518922,
"formula_full": "Sm4 Ga18 Ir6",
"formula_reduced": "Sm2(Ga3Ir)3",
"formula_anonymous": "A2B3C9",
"energy": -145.54490171,
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"updated_at": "2021-11-28T01:34:51.440000Z",
"spacegroup": 63
},
{
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