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{
"id": "mp-18084",
"created_at": "2022-09-04T14:39:11.046689Z",
"structure_string": "Ba4 Tb8 Zn4 O20\n1.0\n5.781062 0.000000 0.000000\n0.000000 7.178931 0.000000\n0.000000 0.000000 12.494378\nBa Tb Zn O\n4 8 4 20\ndirect\n0.750000 0.422853 0.601220 Ba\n0.750000 0.077147 0.101220 Ba\n0.250000 0.577147 0.398780 Ba\n0.250000 0.922853 0.898780 Ba\n0.250000 0.118294 0.292016 Tb\n0.750000 0.881706 0.707984 Tb\n0.750000 0.618294 0.207984 Tb\n0.250000 0.381706 0.792016 Tb\n0.250000 0.399521 0.074493 Tb\n0.750000 0.600479 0.925507 Tb\n0.750000 0.899521 0.425507 Tb\n0.250000 0.100479 0.574493 Tb\n0.250000 0.808533 0.149865 Zn\n0.750000 0.308533 0.350135 Zn\n0.250000 0.691467 0.649865 Zn\n0.750000 0.191467 0.850135 Zn\n0.250000 0.426170 0.599964 O\n0.750000 0.573830 0.400036 O\n0.750000 0.926170 0.900036 O\n0.250000 0.073830 0.099964 O\n0.001029 0.857170 0.275351 O\n0.501029 0.142830 0.724649 O\n0.998971 0.357170 0.224649 O\n0.498971 0.642830 0.775351 O\n0.998971 0.142830 0.724649 O\n0.498971 0.857170 0.275351 O\n0.001029 0.642830 0.775351 O\n0.501029 0.357170 0.224649 O\n0.497673 0.663702 0.066060 O\n0.997673 0.336298 0.933940 O\n0.502327 0.163702 0.433940 O\n0.002327 0.836298 0.566060 O\n0.997673 0.163702 0.433940 O\n0.497673 0.836298 0.566060 O\n0.002327 0.663702 0.066060 O\n0.502327 0.336298 0.933940 O\n",
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{
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"structure_string": "Nd11 In9 Pd4\n1.0\n7.623944 -11.462038 0.000000\n7.623944 11.462038 0.000000\n0.000000 0.000000 3.761530\nNd In Pd\n11 9 4\ndirect\n0.293878 0.293878 0.000000 Nd\n0.414149 0.071909 0.000000 Nd\n0.362602 0.637398 0.000000 Nd\n0.160628 0.839372 0.000000 Nd\n0.637398 0.362602 0.000000 Nd\n0.706122 0.706122 0.000000 Nd\n0.839372 0.160628 0.000000 Nd\n0.000000 0.000000 0.000000 Nd\n0.071909 0.414149 0.000000 Nd\n0.585851 0.928091 0.000000 Nd\n0.928091 0.585851 0.000000 Nd\n0.784594 0.928238 0.500000 In\n0.156661 0.633546 0.500000 In\n0.928238 0.784594 0.500000 In\n0.633546 0.156661 0.500000 In\n0.071762 0.215406 0.500000 In\n0.366454 0.843339 0.500000 In\n0.500000 0.500000 0.000000 In\n0.215406 0.071762 0.500000 In\n0.843339 0.366454 0.500000 In\n0.552736 0.756713 0.500000 Pd\n0.447264 0.243287 0.500000 Pd\n0.756713 0.552736 0.500000 Pd\n0.243287 0.447264 0.500000 Pd\n",
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{
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"created_at": "2022-09-04T14:42:15.837501Z",
"structure_string": "Mn4 Ni4 As4\n1.0\n6.166584 0.000000 0.000000\n0.000000 3.778559 0.000000\n0.000000 0.000000 6.986590\nMn Ni As\n4 4 4\ndirect\n0.023119 0.250000 0.320931 Mn\n0.523119 0.250000 0.179069 Mn\n0.976881 0.750000 0.679069 Mn\n0.476881 0.750000 0.820931 Mn\n0.142315 0.250000 0.941581 Ni\n0.642315 0.250000 0.558419 Ni\n0.857685 0.750000 0.058419 Ni\n0.357685 0.750000 0.441581 Ni\n0.258279 0.250000 0.623346 As\n0.758279 0.250000 0.876654 As\n0.741721 0.750000 0.376654 As\n0.241721 0.750000 0.123346 As\n",
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"density": 7.693191119309305,
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"spacegroup": 62
},
{
"id": "mp-5182",
"created_at": "2022-09-04T14:43:01.350990Z",
"structure_string": "Nd8 Fe56 B4\n1.0\n8.776004 0.000000 0.000000\n0.000000 8.776004 0.000000\n0.000000 0.000000 12.119432\nNd Fe B\n8 56 4\ndirect\n0.857275 0.142725 0.000000 Nd\n0.357275 0.357275 0.500000 Nd\n0.642725 0.642725 0.500000 Nd\n0.142725 0.857275 0.000000 Nd\n0.731575 0.731575 0.000000 Nd\n0.768425 0.231575 0.500000 Nd\n0.231575 0.768425 0.500000 Nd\n0.268425 0.268425 0.000000 Nd\n0.567345 0.224825 0.127300 Fe\n0.432655 0.775175 0.127300 Fe\n0.224825 0.567345 0.872700 Fe\n0.724825 0.932655 0.627300 Fe\n0.275175 0.067345 0.627300 Fe\n0.932655 0.724825 0.372700 Fe\n0.067345 0.275175 0.372700 Fe\n0.775175 0.432655 0.872700 Fe\n0.432655 0.775175 0.872700 Fe\n0.567345 0.224825 0.872700 Fe\n0.775175 0.432655 0.127300 Fe\n0.275175 0.067345 0.372700 Fe\n0.724825 0.932655 0.372700 Fe\n0.067345 0.275175 0.627300 Fe\n0.932655 0.724825 0.627300 Fe\n0.224825 0.567345 0.127300 Fe\n0.360217 0.036785 0.176306 Fe\n0.639783 0.963215 0.176306 Fe\n0.036785 0.360217 0.823694 Fe\n0.536785 0.139783 0.676306 Fe\n0.463215 0.860217 0.676306 Fe\n0.139783 0.536785 0.323694 Fe\n0.860217 0.463215 0.323694 Fe\n0.963215 0.639783 0.823694 Fe\n0.639783 0.963215 0.823694 Fe\n0.360217 0.036785 0.823694 Fe\n0.963215 0.639783 0.176306 Fe\n0.463215 0.860217 0.323694 Fe\n0.536785 0.139783 0.323694 Fe\n0.860217 0.463215 0.676306 Fe\n0.139783 0.536785 0.676306 Fe\n0.036785 0.360217 0.176306 Fe\n0.902056 0.902056 0.795379 Fe\n0.097944 0.097944 0.795379 Fe\n0.902056 0.902056 0.204621 Fe\n0.402056 0.597944 0.295379 Fe\n0.597944 0.402056 0.295379 Fe\n0.597944 0.402056 0.704621 Fe\n0.402056 0.597944 0.704621 Fe\n0.097944 0.097944 0.204621 Fe\n0.682181 0.682181 0.754320 Fe\n0.317819 0.317819 0.754320 Fe\n0.682181 0.682181 0.245680 Fe\n0.182181 0.817819 0.254320 Fe\n0.817819 0.182181 0.254320 Fe\n0.817819 0.182181 0.745680 Fe\n0.182181 0.817819 0.745680 Fe\n0.317819 0.317819 0.245680 Fe\n0.000000 0.000000 0.615079 Fe\n0.500000 0.500000 0.115079 Fe\n0.500000 0.500000 0.884921 Fe\n0.000000 0.000000 0.384921 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.623181 0.376819 0.000000 B\n0.123181 0.123181 0.500000 B\n0.876819 0.876819 0.500000 B\n0.376819 0.623181 0.000000 B\n",
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{
"id": "mp-1225167",
"created_at": "2022-09-04T14:42:17.705615Z",
"structure_string": "Gd3 Y3 Fe23\n1.0\n7.389304 -4.252671 0.000000\n7.389304 4.252671 0.000000\n4.941819 0.000000 6.947333\nGd Y Fe\n3 3 23\ndirect\n0.710997 0.710997 0.288901 Gd\n0.288901 0.710997 0.710997 Gd\n0.710997 0.288901 0.710997 Gd\n0.288453 0.288453 0.711336 Y\n0.711336 0.288453 0.288453 Y\n0.288453 0.711336 0.288453 Y\n0.676237 0.676237 0.676237 Fe\n0.675750 0.972405 0.675750 Fe\n0.972405 0.675750 0.675750 Fe\n0.675750 0.675750 0.972405 Fe\n0.324419 0.324419 0.324419 Fe\n0.323973 0.028031 0.323973 Fe\n0.028031 0.323973 0.323973 Fe\n0.323973 0.323973 0.028031 Fe\n0.000267 0.000267 0.000267 Fe\n0.878105 0.878105 0.878105 Fe\n0.878193 0.365286 0.878193 Fe\n0.365286 0.878193 0.878193 Fe\n0.878193 0.878193 0.365286 Fe\n0.121846 0.121846 0.121846 Fe\n0.121826 0.634649 0.121826 Fe\n0.634649 0.121826 0.121826 Fe\n0.121826 0.121826 0.634649 Fe\n0.999892 0.999892 0.499236 Fe\n0.499236 0.999892 0.999892 Fe\n0.999892 0.499236 0.999892 Fe\n0.499960 0.499960 0.001192 Fe\n0.001192 0.499960 0.499960 Fe\n0.499960 0.001192 0.499960 Fe\n",
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{
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"structure_string": "Zn3 Cu1\n1.0\n1.515006 -2.166590 0.000000\n1.515006 2.166590 0.000000\n0.000000 0.000000 8.541038\nZn Cu\n3 1\ndirect\n0.500000 0.500000 0.763680 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.236320 Zn\n0.000000 0.000000 0.000000 Cu\n",
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{
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{
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{
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{
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{
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"elements": [
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],
"chemical_system": "Co-Ni-P",
"density": 7.6940800570586365,
"density_atomic": 0.09342943239660134,
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"formula_full": "Co7 Ni1 P4",
"formula_reduced": "Co7NiP4",
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{
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"structure_string": "Bi3 Te5 Pb1\n1.0\n2.313373 -4.006879 0.000000\n2.313373 4.006879 0.000000\n0.000000 0.000000 17.137164\nBi Te Pb\n3 5 1\ndirect\n0.666667 0.333333 0.000250 Bi\n0.000000 0.000000 0.774329 Bi\n0.333333 0.666667 0.222116 Bi\n0.000000 0.000000 0.107714 Te\n0.333333 0.666667 0.900071 Te\n0.333333 0.666667 0.543868 Te\n0.666667 0.333333 0.315864 Te\n0.666667 0.333333 0.683902 Te\n0.000000 0.000000 0.451887 Pb\n",
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],
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"density": 7.694452551223604,
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"formula_full": "Bi3 Te5 Pb1",
"formula_reduced": "Bi3Te5Pb",
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}