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"results": [
{
"id": "mp-1046613",
"created_at": "2022-09-04T14:39:07.892609Z",
"structure_string": "Sr3 Cr2 S2 O5\n1.0\n4.020657 0.000000 0.000000\n0.000000 4.020657 0.000000\n-2.010329 -2.010329 11.382364\nSr Cr S O\n3 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.661419 0.661419 0.322837 Sr\n0.338581 0.338581 0.677163 Sr\n0.084325 0.084325 0.168650 Cr\n0.915675 0.915675 0.831350 Cr\n0.193947 0.193947 0.387893 S\n0.806053 0.806053 0.612107 S\n0.085016 0.585016 0.170033 O\n0.585016 0.085016 0.170033 O\n0.914984 0.414984 0.829967 O\n0.414984 0.914984 0.829967 O\n0.000000 0.000000 0.000000 O\n",
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"spacegroup": 139
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{
"id": "mp-1176022",
"created_at": "2022-09-04T14:39:07.232802Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.846254 0.000000 0.000000\n-2.901600 5.159143 0.000000\n-1.534404 -1.282324 9.517892\nLi Mn Co O\n9 2 5 16\ndirect\n0.250733 0.124073 0.747616 Li\n0.007366 0.260723 0.493322 Li\n0.743690 0.367176 0.255856 Li\n0.496815 0.496590 0.004448 Li\n0.251660 0.626237 0.745847 Li\n0.008163 0.758421 0.488259 Li\n0.748618 0.874723 0.251932 Li\n0.489849 0.988302 0.012552 Li\n0.252143 0.880762 0.252556 Li\n0.996841 0.996020 0.003198 Mn\n0.747144 0.620119 0.748283 Mn\n0.506450 0.251263 0.498494 Co\n0.009403 0.506794 0.011014 Co\n0.742684 0.120350 0.746828 Co\n0.505418 0.759317 0.492532 Co\n0.249635 0.375348 0.256672 Co\n0.100259 0.809799 0.875872 O\n0.847626 0.900621 0.629744 O\n0.622863 0.078253 0.387336 O\n0.344104 0.187312 0.118968 O\n0.088125 0.275273 0.876663 O\n0.856026 0.430445 0.632672 O\n0.618501 0.580206 0.376570 O\n0.347803 0.670016 0.117302 O\n0.402551 0.433853 0.626644 O\n0.149868 0.565427 0.377106 O\n0.883174 0.712458 0.111661 O\n0.643954 0.809538 0.869978 O\n0.397148 0.924923 0.626434 O\n0.163795 0.095068 0.381986 O\n0.878273 0.180242 0.115616 O\n0.649315 0.340350 0.866038 O\n",
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"elements": [
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],
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"density": 4.182079231246065,
"density_atomic": 0.11146896277446326,
"volume": 287.07542623094156,
"volume_molar": 5.402526954686645,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.41942898,
"energy_per_atom": -6.513107155625,
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"spacegroup": 1
},
{
"id": "mp-7203",
"created_at": "2022-09-04T14:39:07.870587Z",
"structure_string": "Ce6 Sn26 Rh8\n1.0\n9.783711 0.000000 0.000000\n0.000000 9.783711 0.000000\n0.000000 0.000000 9.783711\nCe Sn Rh\n6 26 8\ndirect\n0.500000 0.000000 0.750000 Ce\n0.000000 0.250000 0.500000 Ce\n0.750000 0.500000 0.000000 Ce\n0.500000 0.000000 0.250000 Ce\n0.000000 0.750000 0.500000 Ce\n0.250000 0.500000 0.000000 Ce\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.651642 0.191717 0.500000 Sn\n0.808283 0.500000 0.651642 Sn\n0.500000 0.348358 0.808283 Sn\n0.348358 0.808283 0.500000 Sn\n0.191717 0.500000 0.348358 Sn\n0.500000 0.651642 0.191717 Sn\n0.651642 0.808283 0.500000 Sn\n0.808283 0.500000 0.348358 Sn\n0.348358 0.191717 0.500000 Sn\n0.191717 0.500000 0.651642 Sn\n0.500000 0.651642 0.808283 Sn\n0.500000 0.348358 0.191717 Sn\n0.151642 0.000000 0.691717 Sn\n0.308283 0.151642 0.000000 Sn\n0.000000 0.308283 0.848358 Sn\n0.848358 0.000000 0.308283 Sn\n0.691717 0.848358 0.000000 Sn\n0.000000 0.691717 0.151642 Sn\n0.151642 0.000000 0.308283 Sn\n0.308283 0.848358 0.000000 Sn\n0.848358 0.000000 0.691717 Sn\n0.691717 0.151642 0.000000 Sn\n0.000000 0.308283 0.151642 Sn\n0.000000 0.691717 0.848358 Sn\n0.750000 0.250000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 40,
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"elements": [
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],
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"density": 8.423031615470142,
"density_atomic": 0.042711924917329704,
"volume": 936.5066097447324,
"volume_molar": 14.099436566382915,
"formula_full": "Ce6 Sn26 Rh8",
"formula_reduced": "Ce3Sn13Rh4",
"formula_anonymous": "A3B4C13",
"energy": -220.92070427,
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"updated_at": "2021-11-28T01:34:28.657000Z",
"spacegroup": 223
},
{
"id": "mp-561583",
"created_at": "2022-09-04T14:39:07.278158Z",
"structure_string": "Co14 As4 O24\n1.0\n5.644238 -0.002600 -1.656734\n-1.022142 7.642202 -3.487520\n0.009290 -0.007881 10.522428\nCo As O\n14 4 24\ndirect\n0.427149 0.797782 0.854758 Co\n0.156286 0.155557 0.817768 Co\n0.660880 0.155729 0.817647 Co\n0.837452 0.825862 0.675203 Co\n0.339120 0.844271 0.182353 Co\n0.162548 0.174138 0.324797 Co\n0.572851 0.202218 0.145242 Co\n0.663596 0.649399 0.328957 Co\n0.500000 0.000000 0.500000 Co\n0.843714 0.844443 0.182232 Co\n0.336404 0.350601 0.671043 Co\n0.073555 0.447531 0.147705 Co\n0.926445 0.552469 0.852295 Co\n0.000000 0.000000 0.500000 Co\n0.749687 0.373861 0.498994 As\n0.250313 0.626139 0.501006 As\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.702296 0.921928 0.849284 O\n0.495620 0.744032 0.502031 O\n0.005871 0.743857 0.502013 O\n0.509805 0.733162 0.019739 O\n0.645541 0.425387 0.848586 O\n0.991063 0.213407 0.982546 O\n0.504380 0.255968 0.497969 O\n0.203118 0.425017 0.848384 O\n0.147098 0.922394 0.849629 O\n0.171158 0.946222 0.342022 O\n0.671275 0.893341 0.341933 O\n0.354459 0.574613 0.151414 O\n0.297704 0.078072 0.150716 O\n0.490195 0.266838 0.980261 O\n0.829358 0.569179 0.658593 O\n0.329085 0.589353 0.658502 O\n0.994129 0.256143 0.497987 O\n0.170642 0.430821 0.341407 O\n0.670915 0.410647 0.341498 O\n0.852902 0.077606 0.150371 O\n0.828842 0.053778 0.657978 O\n0.008937 0.786593 0.017454 O\n0.796882 0.574983 0.151616 O\n0.328725 0.106659 0.658067 O\n",
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"density": 5.520750402562533,
"density_atomic": 0.0925517942109754,
"volume": 453.7999544801841,
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"formula_full": "Co14 As4 O24",
"formula_reduced": "Co7(AsO6)2",
"formula_anonymous": "A2B7C12",
"energy": -298.48894892000004,
"energy_per_atom": -7.106879736190477,
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"updated_at": "2021-11-28T01:34:31.795000Z",
"spacegroup": 12
},
{
"id": "mp-1047709",
"created_at": "2022-09-04T14:39:07.919199Z",
"structure_string": "Mg2 V4 O8\n1.0\n1.442754 -4.893848 0.000000\n1.442754 4.893848 0.000000\n0.000000 0.000000 10.004526\nMg V O\n2 4 8\ndirect\n0.616580 0.383420 0.750000 Mg\n0.383420 0.616580 0.250000 Mg\n0.130644 0.869356 0.074225 V\n0.869356 0.130644 0.925775 V\n0.130644 0.869356 0.425775 V\n0.869356 0.130644 0.574225 V\n0.772742 0.227258 0.384727 O\n0.227258 0.772742 0.615273 O\n0.227258 0.772742 0.884727 O\n0.772742 0.227258 0.115273 O\n0.035930 0.964070 0.250000 O\n0.964070 0.035930 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Mg-O-V",
"density": 4.470822705978888,
"density_atomic": 0.09909660121691286,
"volume": 141.27628826901295,
"volume_molar": 6.077040671473806,
"formula_full": "Mg2 V4 O8",
"formula_reduced": "MgV2O4",
"formula_anonymous": "AB2C4",
"energy": -115.50480007,
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"spacegroup": 63
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{
"id": "mp-780994",
"created_at": "2022-09-04T14:39:09.496151Z",
"structure_string": "Li4 Mn4 Si8 O22\n1.0\n9.767173 0.000000 0.000000\n-1.047988 7.627840 0.000000\n-1.450580 -2.786071 6.341006\nLi Mn Si O\n4 4 8 22\ndirect\n0.906089 0.440996 0.590705 Li\n0.384920 0.445940 0.610247 Li\n0.615080 0.554060 0.389753 Li\n0.093911 0.559004 0.409295 Li\n0.667978 0.240688 0.787280 Mn\n0.109260 0.213679 0.658628 Mn\n0.890740 0.786321 0.341372 Mn\n0.332022 0.759312 0.212720 Mn\n0.248309 0.052636 0.370665 Si\n0.954076 0.239270 0.230804 Si\n0.523557 0.237066 0.220004 Si\n0.783410 0.599149 0.970772 Si\n0.216590 0.400851 0.029228 Si\n0.476443 0.762934 0.779996 Si\n0.045924 0.760730 0.769196 Si\n0.751691 0.947364 0.629335 Si\n0.811142 0.120568 0.648231 O\n0.401295 0.086321 0.255077 O\n0.343045 0.148717 0.591509 O\n0.021454 0.088547 0.253246 O\n0.693778 0.194852 0.132639 O\n0.357443 0.281785 0.035318 O\n0.654561 0.450353 0.812641 O\n0.619647 0.362620 0.408371 O\n0.124271 0.411010 0.808775 O\n0.008296 0.309200 0.064993 O\n0.065686 0.349868 0.437914 O\n0.934314 0.650132 0.562086 O\n0.991704 0.690800 0.935007 O\n0.875729 0.588990 0.191225 O\n0.380353 0.637380 0.591629 O\n0.345439 0.549647 0.187359 O\n0.642557 0.718215 0.964682 O\n0.306222 0.805148 0.867361 O\n0.978546 0.911453 0.746754 O\n0.656956 0.851283 0.408491 O\n0.598705 0.913679 0.744923 O\n0.188858 0.879432 0.351769 O\n",
"nsites": 38,
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"volume": 472.4203740101625,
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"formula_full": "Li4 Mn4 Si8 O22",
"formula_reduced": "Li2Mn2Si4O11",
"formula_anonymous": "A2B2C4D11",
"energy": -235.37505508,
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"spacegroup": 2
},
{
"id": "mp-1205831",
"created_at": "2022-09-04T14:39:07.951991Z",
"structure_string": "Na1 Mn1 I1 O6\n1.0\n-2.546534 -4.410725 0.000000\n-2.546534 4.410725 0.000000\n0.000000 0.000000 -5.374659\nNa Mn I O\n1 1 1 6\ndirect\n0.666667 0.333333 0.500000 Na\n0.333333 0.666667 0.000000 Mn\n0.000000 0.000000 0.000000 I\n0.041366 0.329014 0.800408 O\n0.287648 0.958634 0.800408 O\n0.287648 0.329014 0.199592 O\n0.670986 0.712352 0.800408 O\n0.670986 0.958634 0.199592 O\n0.041366 0.712352 0.199592 O\n",
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"I",
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],
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"volume": 120.73699738863968,
"volume_molar": 8.078835480157117,
"formula_full": "Na1 Mn1 I1 O6",
"formula_reduced": "NaMnIO6",
"formula_anonymous": "ABCD6",
"energy": -54.54978963,
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{
"id": "mp-774384",
"created_at": "2022-09-04T14:39:08.057094Z",
"structure_string": "Fe10 O11 F9\n1.0\n15.309477 0.000000 0.000000\n0.000000 4.775961 0.000000\n0.000000 0.440926 4.755753\nFe O F\n10 11 9\ndirect\n0.307231 0.985237 0.994269 Fe\n0.102241 0.998553 0.000163 Fe\n0.897759 0.998553 0.000163 Fe\n0.692769 0.985237 0.994269 Fe\n0.500000 0.006790 0.954259 Fe\n0.199978 0.493348 0.495203 Fe\n0.800022 0.493348 0.495203 Fe\n0.000000 0.498649 0.501125 Fe\n0.605281 0.522062 0.540679 Fe\n0.394719 0.522062 0.540679 Fe\n0.599575 0.814156 0.806617 O\n0.400425 0.814156 0.806617 O\n0.295204 0.299858 0.702781 O\n0.099854 0.298124 0.696893 O\n0.900146 0.298124 0.696893 O\n0.704796 0.299858 0.702781 O\n0.500000 0.323646 0.683715 O\n0.297611 0.694830 0.306236 O\n0.099974 0.695623 0.301108 O\n0.900026 0.695623 0.301108 O\n0.702389 0.694830 0.306236 O\n0.199785 0.802859 0.809708 F\n0.000000 0.806696 0.809568 F\n0.800215 0.802859 0.809708 F\n0.500000 0.708379 0.296301 F\n0.200876 0.187236 0.191650 F\n0.799124 0.187236 0.191650 F\n0.000000 0.189031 0.190006 F\n0.402313 0.191516 0.187207 F\n0.597687 0.191516 0.187207 F\n",
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"formula_full": "Fe10 O11 F9",
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{
"id": "mp-1220041",
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"structure_string": "Pr1 Gd1 Zn2\n1.0\n3.691822 0.000000 0.000000\n0.000000 3.691822 0.000000\n0.000000 0.000000 7.264870\nPr Gd Zn\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.238215 Zn\n0.500000 0.500000 0.761785 Zn\n",
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{
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{
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{
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}